Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 19:50:28 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: ./LiAlO2.save/ 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 43 43 12 848 848 133 Max 44 44 13 852 852 136 Sum 1571 1571 463 30591 30591 4855 bravais-lattice index = 14 lattice parameter (alat) = 9.4616 a.u. unit-cell volume = 217.1663 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.461633 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.843597 celldm(5)= 0.843597 celldm(6)= 0.843597 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.843597 0.536977 0.000000 ) a(3) = ( 0.843597 0.245711 0.477462 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.571013 -0.958363 ) b(2) = ( 0.000000 1.862279 -0.958363 ) b(3) = ( 0.000000 0.000000 2.094407 ) 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 Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 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. # 3 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Li 3.00 6.94100 Li( 1.00) Al 3.00 26.98150 Al( 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= 432 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023148 k( 2) = ( 0.0075758 -0.0119016 -0.0072603), wk = 0.0023148 k( 3) = ( 0.0151515 -0.0238032 -0.0145207), wk = 0.0023148 k( 4) = ( 0.0227273 -0.0357048 -0.0217810), wk = 0.0023148 k( 5) = ( 0.0303030 -0.0476065 -0.0290413), wk = 0.0023148 k( 6) = ( 0.0378788 -0.0595081 -0.0363016), wk = 0.0023148 k( 7) = ( 0.0454546 -0.0714097 -0.0435620), wk = 0.0023148 k( 8) = ( 0.0530303 -0.0833113 -0.0508223), wk = 0.0023148 k( 9) = ( 0.0606061 -0.0952129 -0.0580826), wk = 0.0023148 k( 10) = ( 0.0681818 -0.1071145 -0.0653430), wk = 0.0023148 k( 11) = ( 0.0757576 -0.1190161 -0.0726033), wk = 0.0023148 k( 12) = ( 0.0833333 -0.1309177 -0.0798636), wk = 0.0023148 k( 13) = ( 0.0909091 -0.1428194 -0.0871239), wk = 0.0023148 k( 14) = ( 0.0984848 -0.1547210 -0.0943843), wk = 0.0023148 k( 15) = ( 0.1060606 -0.1666226 -0.1016446), wk = 0.0023148 k( 16) = ( 0.1136364 -0.1785242 -0.1089049), wk = 0.0023148 k( 17) = ( 0.1212121 -0.1904258 -0.1161653), wk = 0.0023148 k( 18) = ( 0.1287879 -0.2023274 -0.1234256), wk = 0.0023148 k( 19) = ( 0.1363636 -0.2142291 -0.1306859), wk = 0.0023148 k( 20) = ( 0.1439394 -0.2261307 -0.1379463), wk = 0.0023148 k( 21) = ( 0.1515151 -0.2380323 -0.1452066), wk = 0.0023148 k( 22) = ( 0.1590909 -0.2499339 -0.1524669), wk = 0.0023148 k( 23) = ( 0.1666667 -0.2618355 -0.1597272), wk = 0.0023148 k( 24) = ( 0.1742424 -0.2737371 -0.1669876), wk = 0.0023148 k( 25) = ( 0.1818182 -0.2856387 -0.1742479), wk = 0.0023148 k( 26) = ( 0.1893939 -0.2975403 -0.1815082), wk = 0.0023148 k( 27) = ( 0.1969697 -0.3094420 -0.1887686), wk = 0.0023148 k( 28) = ( 0.2045454 -0.3213436 -0.1960289), wk = 0.0023148 k( 29) = ( 0.2121212 -0.3332452 -0.2032892), wk = 0.0023148 k( 30) = ( 0.2196970 -0.3451468 -0.2105495), wk = 0.0023148 k( 31) = ( 0.2272727 -0.3570484 -0.2178099), wk = 0.0023148 k( 32) = ( 0.2348485 -0.3689500 -0.2250702), wk = 0.0023148 k( 33) = ( 0.2424242 -0.3808516 -0.2323305), wk = 0.0023148 k( 34) = ( 0.2500000 -0.3927533 -0.2395909), wk = 0.0023148 k( 35) = ( 0.2575758 -0.4046549 -0.2468512), wk = 0.0023148 k( 36) = ( 0.2651515 -0.4165565 -0.2541115), wk = 0.0023148 k( 37) = ( 0.2727273 -0.4284581 -0.2613718), wk = 0.0023148 k( 38) = ( 0.2803030 -0.4403597 -0.2686322), wk = 0.0023148 k( 39) = ( 0.2878788 -0.4522613 -0.2758925), wk = 0.0023148 k( 40) = ( 0.2954545 -0.4641629 -0.2831528), wk = 0.0023148 k( 41) = ( 0.3030303 -0.4760645 -0.2904132), wk = 0.0023148 k( 42) = ( 0.3106061 -0.4879662 -0.2976735), wk = 0.0023148 k( 43) = ( 0.3181818 -0.4998678 -0.3049338), wk = 0.0023148 k( 44) = ( 0.3257576 -0.5117694 -0.3121942), wk = 0.0023148 k( 45) = ( 0.3333333 -0.5236710 -0.3194545), wk = 0.0023148 k( 46) = ( 0.3409091 -0.5355726 -0.3267148), wk = 0.0023148 k( 47) = ( 0.3484849 -0.5474742 -0.3339751), wk = 0.0023148 k( 48) = ( 0.3560606 -0.5593759 -0.3412355), wk = 0.0023148 k( 49) = ( 0.3636364 -0.5712775 -0.3484958), wk = 0.0023148 k( 50) = ( 0.3712121 -0.5831791 -0.3557561), wk = 0.0023148 k( 51) = ( 0.3787879 -0.5950807 -0.3630165), wk = 0.0023148 k( 52) = ( 0.3863636 -0.6069823 -0.3702768), wk = 0.0023148 k( 53) = ( 0.3939394 -0.6188839 -0.3775371), wk = 0.0023148 k( 54) = ( 0.4015151 -0.6307855 -0.3847974), wk = 0.0023148 k( 55) = ( 0.4090909 -0.6426871 -0.3920578), wk = 0.0023148 k( 56) = ( 0.4166667 -0.6545888 -0.3993181), wk = 0.0023148 k( 57) = ( 0.4242424 -0.6664904 -0.4065784), wk = 0.0023148 k( 58) = ( 0.4318182 -0.6783920 -0.4138388), wk = 0.0023148 k( 59) = ( 0.4393939 -0.6902936 -0.4210991), wk = 0.0023148 k( 60) = ( 0.4469697 -0.7021952 -0.4283594), wk = 0.0023148 k( 61) = ( 0.4545455 -0.7140968 -0.4356197), wk = 0.0023148 k( 62) = ( 0.4621212 -0.7259984 -0.4428801), wk = 0.0023148 k( 63) = ( 0.4696970 -0.7379001 -0.4501404), wk = 0.0023148 k( 64) = ( 0.4772727 -0.7498017 -0.4574007), wk = 0.0023148 k( 65) = ( 0.4848485 -0.7617033 -0.4646611), wk = 0.0023148 k( 66) = ( 0.4924242 -0.7736049 -0.4719214), wk = 0.0023148 k( 67) = ( 0.5000000 -0.7855065 -0.4791817), wk = 0.0023148 k( 68) = ( 0.5000000 -0.7855065 -0.4791817), wk = 0.0023148 k( 69) = ( 0.5000000 -0.7772563 -0.4927061), wk = 0.0023148 k( 70) = ( 0.5000000 -0.7690060 -0.5062304), wk = 0.0023148 k( 71) = ( 0.5000000 -0.7607558 -0.5197547), wk = 0.0023148 k( 72) = ( 0.5000000 -0.7525056 -0.5332791), wk = 0.0023148 k( 73) = ( 0.5000000 -0.7442553 -0.5468034), wk = 0.0023148 k( 74) = ( 0.5000000 -0.7360051 -0.5603277), wk = 0.0023148 k( 75) = ( 0.5000000 -0.7277549 -0.5738521), wk = 0.0023148 k( 76) = ( 0.5000000 -0.7195046 -0.5873764), wk = 0.0023148 k( 77) = ( 0.5000000 -0.7112544 -0.6009007), wk = 0.0023148 k( 78) = ( 0.5000000 -0.7030042 -0.6144251), wk = 0.0023148 k( 79) = ( 0.5000000 -0.6947539 -0.6279494), wk = 0.0023148 k( 80) = ( 0.5000000 -0.6865037 -0.6414737), wk = 0.0023148 k( 81) = ( 0.5000000 -0.6782534 -0.6549981), wk = 0.0023148 k( 82) = ( 0.5000000 -0.6700032 -0.6685224), wk = 0.0023148 k( 83) = ( 0.5000000 -0.6617530 -0.6820467), wk = 0.0023148 k( 84) = ( 0.5000000 -0.6535028 -0.6955710), wk = 0.0023148 k( 85) = ( 0.5000000 -0.6452525 -0.7090954), wk = 0.0023148 k( 86) = ( 0.5000000 -0.6370023 -0.7226197), wk = 0.0023148 k( 87) = ( 0.5000000 -0.6287520 -0.7361440), wk = 0.0023148 k( 88) = ( 0.5000000 -0.6205018 -0.7496684), wk = 0.0023148 k( 89) = ( 0.5000000 -0.6122516 -0.7631927), wk = 0.0023148 k( 90) = ( 0.5000000 -0.6040013 -0.7767171), wk = 0.0023148 k( 91) = ( 0.5000000 -0.5957511 -0.7902414), wk = 0.0023148 k( 92) = ( 0.5000000 -0.5875009 -0.8037657), wk = 0.0023148 k( 93) = ( 0.5000000 -0.5792506 -0.8172901), wk = 0.0023148 k( 94) = ( 0.5000000 -0.5710004 -0.8308144), wk = 0.0023148 k( 95) = ( 0.5000000 -0.5627502 -0.8443387), wk = 0.0023148 k( 96) = ( 0.5000000 -0.5544999 -0.8578631), wk = 0.0023148 k( 97) = ( 0.5000000 -0.5462497 -0.8713874), wk = 0.0023148 k( 98) = ( 0.5000000 -0.5379995 -0.8849117), wk = 0.0023148 k( 99) = ( 0.5000000 -0.5297492 -0.8984360), wk = 0.0023148 k( 100) = ( 0.5000000 -0.5214990 -0.9119604), wk = 0.0023148 k( 101) = ( 0.5000000 -0.5132488 -0.9254847), wk = 0.0023148 k( 102) = ( 0.5000000 -0.5049985 -0.9390090), wk = 0.0023148 k( 103) = ( 0.5000000 -0.4967483 -0.9525334), wk = 0.0023148 k( 104) = ( 0.5000000 -0.4884980 -0.9660577), wk = 0.0023148 k( 105) = ( 0.5000000 -0.4802478 -0.9795820), wk = 0.0023148 k( 106) = ( 0.5000000 -0.4719976 -0.9931064), wk = 0.0023148 k( 107) = ( 0.5000000 -0.4637473 -1.0066307), wk = 0.0023148 k( 108) = ( 0.5000000 -0.4554971 -1.0201550), wk = 0.0023148 k( 109) = ( 0.5000000 -0.4472469 -1.0336794), wk = 0.0023148 k( 110) = ( 0.5000000 -0.4389967 -1.0472037), wk = 0.0023148 k( 111) = ( 0.8139323 -0.3475589 -0.8695232), wk = 0.0023148 k( 112) = ( 0.8095107 -0.3406126 -0.8560251), wk = 0.0023148 k( 113) = ( 0.8050892 -0.3336662 -0.8425271), wk = 0.0023148 k( 114) = ( 0.8006676 -0.3267198 -0.8290290), wk = 0.0023148 k( 115) = ( 0.7962460 -0.3197735 -0.8155309), wk = 0.0023148 k( 116) = ( 0.7918244 -0.3128271 -0.8020328), wk = 0.0023148 k( 117) = ( 0.7874028 -0.3058808 -0.7885347), wk = 0.0023148 k( 118) = ( 0.7829812 -0.2989344 -0.7750367), wk = 0.0023148 k( 119) = ( 0.7785597 -0.2919880 -0.7615386), wk = 0.0023148 k( 120) = ( 0.7741381 -0.2850417 -0.7480405), wk = 0.0023148 k( 121) = ( 0.7697165 -0.2780953 -0.7345424), wk = 0.0023148 k( 122) = ( 0.7652949 -0.2711489 -0.7210444), wk = 0.0023148 k( 123) = ( 0.7608733 -0.2642026 -0.7075463), wk = 0.0023148 k( 124) = ( 0.7564518 -0.2572562 -0.6940482), wk = 0.0023148 k( 125) = ( 0.7520302 -0.2503099 -0.6805501), wk = 0.0023148 k( 126) = ( 0.7476086 -0.2433635 -0.6670520), wk = 0.0023148 k( 127) = ( 0.7431870 -0.2364171 -0.6535540), wk = 0.0023148 k( 128) = ( 0.7387654 -0.2294708 -0.6400559), wk = 0.0023148 k( 129) = ( 0.7343439 -0.2225244 -0.6265578), wk = 0.0023148 k( 130) = ( 0.7299223 -0.2155780 -0.6130598), wk = 0.0023148 k( 131) = ( 0.7255007 -0.2086317 -0.5995617), wk = 0.0023148 k( 132) = ( 0.7210791 -0.2016853 -0.5860636), wk = 0.0023148 k( 133) = ( 0.7166575 -0.1947389 -0.5725655), wk = 0.0023148 k( 134) = ( 0.7122359 -0.1877926 -0.5590674), wk = 0.0023148 k( 135) = ( 0.7078144 -0.1808462 -0.5455694), wk = 0.0023148 k( 136) = ( 0.7033928 -0.1738999 -0.5320713), wk = 0.0023148 k( 137) = ( 0.6989712 -0.1669535 -0.5185732), wk = 0.0023148 k( 138) = ( 0.6945496 -0.1600071 -0.5050751), wk = 0.0023148 k( 139) = ( 0.6901280 -0.1530608 -0.4915771), wk = 0.0023148 k( 140) = ( 0.6857064 -0.1461144 -0.4780790), wk = 0.0023148 k( 141) = ( 0.6812849 -0.1391680 -0.4645809), wk = 0.0023148 k( 142) = ( 0.6768633 -0.1322217 -0.4510828), wk = 0.0023148 k( 143) = ( 0.6724417 -0.1252753 -0.4375848), wk = 0.0023148 k( 144) = ( 0.6680201 -0.1183290 -0.4240867), wk = 0.0023148 k( 145) = ( 0.6635985 -0.1113826 -0.4105886), wk = 0.0023148 k( 146) = ( 0.6591769 -0.1044362 -0.3970905), wk = 0.0023148 k( 147) = ( 0.6547554 -0.0974899 -0.3835924), wk = 0.0023148 k( 148) = ( 0.6503338 -0.0905435 -0.3700944), wk = 0.0023148 k( 149) = ( 0.6459122 -0.0835971 -0.3565963), wk = 0.0023148 k( 150) = ( 0.6414906 -0.0766508 -0.3430982), wk = 0.0023148 k( 151) = ( 0.6370690 -0.0697044 -0.3296001), wk = 0.0023148 k( 152) = ( 0.6326475 -0.0627581 -0.3161021), wk = 0.0023148 k( 153) = ( 0.6282259 -0.0558117 -0.3026040), wk = 0.0023148 k( 154) = ( 0.6238043 -0.0488653 -0.2891059), wk = 0.0023148 k( 155) = ( 0.6193827 -0.0419190 -0.2756078), wk = 0.0023148 k( 156) = ( 0.6149611 -0.0349726 -0.2621097), wk = 0.0023148 k( 157) = ( 0.6105396 -0.0280262 -0.2486117), wk = 0.0023148 k( 158) = ( 0.6061180 -0.0210799 -0.2351136), wk = 0.0023148 k( 159) = ( 0.6016964 -0.0141335 -0.2216155), wk = 0.0023148 k( 160) = ( 0.5972748 -0.0071872 -0.2081175), wk = 0.0023148 k( 161) = ( 0.5928532 -0.0002408 -0.1946194), wk = 0.0023148 k( 162) = ( 0.5884316 0.0067056 -0.1811213), wk = 0.0023148 k( 163) = ( 0.5840101 0.0136519 -0.1676232), wk = 0.0023148 k( 164) = ( 0.5795885 0.0205983 -0.1541251), wk = 0.0023148 k( 165) = ( 0.5751669 0.0275447 -0.1406270), wk = 0.0023148 k( 166) = ( 0.5707453 0.0344910 -0.1271290), wk = 0.0023148 k( 167) = ( 0.5663237 0.0414374 -0.1136309), wk = 0.0023148 k( 168) = ( 0.5619021 0.0483838 -0.1001328), wk = 0.0023148 k( 169) = ( 0.5574806 0.0553301 -0.0866348), wk = 0.0023148 k( 170) = ( 0.5530590 0.0622765 -0.0731367), wk = 0.0023148 k( 171) = ( 0.5486374 0.0692228 -0.0596386), wk = 0.0023148 k( 172) = ( 0.5442158 0.0761692 -0.0461405), wk = 0.0023148 k( 173) = ( 0.5397942 0.0831156 -0.0326424), wk = 0.0023148 k( 174) = ( 0.5353727 0.0900619 -0.0191444), wk = 0.0023148 k( 175) = ( 0.5309511 0.0970083 -0.0056463), wk = 0.0023148 k( 176) = ( 0.5265295 0.1039547 0.0078518), wk = 0.0023148 k( 177) = ( 0.5221079 0.1109010 0.0213499), wk = 0.0023148 k( 178) = ( 0.5176863 0.1178474 0.0348479), wk = 0.0023148 k( 179) = ( 0.5132648 0.1247937 0.0483460), wk = 0.0023148 k( 180) = ( 0.5088432 0.1317401 0.0618441), wk = 0.0023148 k( 181) = ( 0.5044216 0.1386865 0.0753422), wk = 0.0023148 k( 182) = ( 0.5000000 0.1456328 0.0888402), wk = 0.0023148 k( 183) = ( 0.5000000 0.1456328 0.0888402), wk = 0.0023148 k( 184) = ( 0.4852941 0.1413495 0.0862273), wk = 0.0023148 k( 185) = ( 0.4705882 0.1370662 0.0836144), wk = 0.0023148 k( 186) = ( 0.4558823 0.1327829 0.0810014), wk = 0.0023148 k( 187) = ( 0.4411765 0.1284996 0.0783885), wk = 0.0023148 k( 188) = ( 0.4264706 0.1242162 0.0757755), wk = 0.0023148 k( 189) = ( 0.4117647 0.1199329 0.0731626), wk = 0.0023148 k( 190) = ( 0.3970588 0.1156496 0.0705496), wk = 0.0023148 k( 191) = ( 0.3823529 0.1113663 0.0679367), wk = 0.0023148 k( 192) = ( 0.3676471 0.1070830 0.0653237), wk = 0.0023148 k( 193) = ( 0.3529412 0.1027996 0.0627108), wk = 0.0023148 k( 194) = ( 0.3382353 0.0985163 0.0600978), wk = 0.0023148 k( 195) = ( 0.3235294 0.0942330 0.0574849), wk = 0.0023148 k( 196) = ( 0.3088235 0.0899497 0.0548719), wk = 0.0023148 k( 197) = ( 0.2941177 0.0856664 0.0522590), wk = 0.0023148 k( 198) = ( 0.2794118 0.0813831 0.0496460), wk = 0.0023148 k( 199) = ( 0.2647059 0.0770997 0.0470331), wk = 0.0023148 k( 200) = ( 0.2500000 0.0728164 0.0444201), wk = 0.0023148 k( 201) = ( 0.2352941 0.0685331 0.0418072), wk = 0.0023148 k( 202) = ( 0.2205882 0.0642498 0.0391942), wk = 0.0023148 k( 203) = ( 0.2058823 0.0599665 0.0365813), wk = 0.0023148 k( 204) = ( 0.1911765 0.0556831 0.0339683), wk = 0.0023148 k( 205) = ( 0.1764706 0.0513998 0.0313554), wk = 0.0023148 k( 206) = ( 0.1617647 0.0471165 0.0287424), wk = 0.0023148 k( 207) = ( 0.1470588 0.0428332 0.0261295), wk = 0.0023148 k( 208) = ( 0.1323529 0.0385499 0.0235165), wk = 0.0023148 k( 209) = ( 0.1176471 0.0342665 0.0209036), wk = 0.0023148 k( 210) = ( 0.1029412 0.0299832 0.0182906), wk = 0.0023148 k( 211) = ( 0.0882353 0.0256999 0.0156777), wk = 0.0023148 k( 212) = ( 0.0735294 0.0214166 0.0130647), wk = 0.0023148 k( 213) = ( 0.0588235 0.0171333 0.0104518), wk = 0.0023148 k( 214) = ( 0.0441177 0.0128500 0.0078388), wk = 0.0023148 k( 215) = ( 0.0294118 0.0085666 0.0052259), wk = 0.0023148 k( 216) = ( 0.0147059 0.0042833 0.0026129), wk = 0.0023148 k( 217) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023148 k( 218) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023148 k( 219) = ( 0.0044550 -0.0069988 -0.0136000), wk = 0.0023148 k( 220) = ( 0.0089100 -0.0139977 -0.0272001), wk = 0.0023148 k( 221) = ( 0.0133650 -0.0209965 -0.0408001), wk = 0.0023148 k( 222) = ( 0.0178199 -0.0279954 -0.0544002), wk = 0.0023148 k( 223) = ( 0.0222749 -0.0349942 -0.0680002), wk = 0.0023148 k( 224) = ( 0.0267299 -0.0419930 -0.0816003), wk = 0.0023148 k( 225) = ( 0.0311849 -0.0489919 -0.0952003), wk = 0.0023148 k( 226) = ( 0.0356399 -0.0559907 -0.1088004), wk = 0.0023148 k( 227) = ( 0.0400949 -0.0629895 -0.1224004), wk = 0.0023148 k( 228) = ( 0.0445499 -0.0699884 -0.1360005), wk = 0.0023148 k( 229) = ( 0.0490048 -0.0769872 -0.1496005), wk = 0.0023148 k( 230) = ( 0.0534598 -0.0839861 -0.1632006), wk = 0.0023148 k( 231) = ( 0.0579148 -0.0909849 -0.1768006), wk = 0.0023148 k( 232) = ( 0.0623698 -0.0979838 -0.1904007), wk = 0.0023148 k( 233) = ( 0.0668248 -0.1049826 -0.2040007), wk = 0.0023148 k( 234) = ( 0.0712798 -0.1119814 -0.2176008), wk = 0.0023148 k( 235) = ( 0.0757347 -0.1189803 -0.2312008), wk = 0.0023148 k( 236) = ( 0.0801897 -0.1259791 -0.2448009), wk = 0.0023148 k( 237) = ( 0.0846447 -0.1329779 -0.2584009), wk = 0.0023148 k( 238) = ( 0.0890997 -0.1399768 -0.2720010), wk = 0.0023148 k( 239) = ( 0.0935547 -0.1469756 -0.2856010), wk = 0.0023148 k( 240) = ( 0.0980097 -0.1539745 -0.2992011), wk = 0.0023148 k( 241) = ( 0.1024647 -0.1609733 -0.3128011), wk = 0.0023148 k( 242) = ( 0.1069196 -0.1679721 -0.3264012), wk = 0.0023148 k( 243) = ( 0.1113746 -0.1749710 -0.3400012), wk = 0.0023148 k( 244) = ( 0.1158296 -0.1819698 -0.3536013), wk = 0.0023148 k( 245) = ( 0.1202846 -0.1889687 -0.3672013), wk = 0.0023148 k( 246) = ( 0.1247396 -0.1959675 -0.3808014), wk = 0.0023148 k( 247) = ( 0.1291946 -0.2029663 -0.3944014), wk = 0.0023148 k( 248) = ( 0.1336496 -0.2099652 -0.4080015), wk = 0.0023148 k( 249) = ( 0.1381045 -0.2169640 -0.4216015), wk = 0.0023148 k( 250) = ( 0.1425595 -0.2239629 -0.4352016), wk = 0.0023148 k( 251) = ( 0.1470145 -0.2309617 -0.4488016), wk = 0.0023148 k( 252) = ( 0.1514695 -0.2379605 -0.4624016), wk = 0.0023148 k( 253) = ( 0.1559245 -0.2449594 -0.4760017), wk = 0.0023148 k( 254) = ( 0.1603795 -0.2519582 -0.4896017), wk = 0.0023148 k( 255) = ( 0.1648344 -0.2589571 -0.5032018), wk = 0.0023148 k( 256) = ( 0.1692894 -0.2659559 -0.5168018), wk = 0.0023148 k( 257) = ( 0.1737444 -0.2729547 -0.5304019), wk = 0.0023148 k( 258) = ( 0.1781994 -0.2799536 -0.5440019), wk = 0.0023148 k( 259) = ( 0.1826544 -0.2869524 -0.5576020), wk = 0.0023148 k( 260) = ( 0.1871094 -0.2939513 -0.5712020), wk = 0.0023148 k( 261) = ( 0.1915643 -0.3009501 -0.5848021), wk = 0.0023148 k( 262) = ( 0.1960193 -0.3079489 -0.5984021), wk = 0.0023148 k( 263) = ( 0.2004743 -0.3149478 -0.6120022), wk = 0.0023148 k( 264) = ( 0.2049293 -0.3219466 -0.6256022), wk = 0.0023148 k( 265) = ( 0.2093843 -0.3289454 -0.6392023), wk = 0.0023148 k( 266) = ( 0.2138393 -0.3359443 -0.6528023), wk = 0.0023148 k( 267) = ( 0.2182943 -0.3429431 -0.6664024), wk = 0.0023148 k( 268) = ( 0.2227493 -0.3499420 -0.6800024), wk = 0.0023148 k( 269) = ( 0.2272042 -0.3569408 -0.6936025), wk = 0.0023148 k( 270) = ( 0.2316592 -0.3639396 -0.7072025), wk = 0.0023148 k( 271) = ( 0.2361142 -0.3709385 -0.7208026), wk = 0.0023148 k( 272) = ( 0.2405692 -0.3779373 -0.7344026), wk = 0.0023148 k( 273) = ( 0.2450242 -0.3849362 -0.7480026), wk = 0.0023148 k( 274) = ( 0.2494792 -0.3919350 -0.7616027), wk = 0.0023148 k( 275) = ( 0.2539341 -0.3989338 -0.7752027), wk = 0.0023148 k( 276) = ( 0.2583891 -0.4059327 -0.7888028), wk = 0.0023148 k( 277) = ( 0.2628441 -0.4129315 -0.8024028), wk = 0.0023148 k( 278) = ( 0.2672991 -0.4199303 -0.8160029), wk = 0.0023148 k( 279) = ( 0.2717541 -0.4269292 -0.8296029), wk = 0.0023148 k( 280) = ( 0.2762091 -0.4339280 -0.8432030), wk = 0.0023148 k( 281) = ( 0.2806640 -0.4409269 -0.8568030), wk = 0.0023148 k( 282) = ( 0.2851190 -0.4479257 -0.8704031), wk = 0.0023148 k( 283) = ( 0.2895740 -0.4549246 -0.8840031), wk = 0.0023148 k( 284) = ( 0.2940290 -0.4619234 -0.8976032), wk = 0.0023148 k( 285) = ( 0.2984840 -0.4689222 -0.9112032), wk = 0.0023148 k( 286) = ( 0.3029390 -0.4759211 -0.9248033), wk = 0.0023148 k( 287) = ( 0.3073940 -0.4829199 -0.9384033), wk = 0.0023148 k( 288) = ( 0.3118489 -0.4899187 -0.9520034), wk = 0.0023148 k( 289) = ( 0.3163039 -0.4969176 -0.9656034), wk = 0.0023148 k( 290) = ( 0.3207589 -0.5039164 -0.9792035), wk = 0.0023148 k( 291) = ( 0.3252139 -0.5109153 -0.9928035), wk = 0.0023148 k( 292) = ( 0.3296689 -0.5179141 -1.0064036), wk = 0.0023148 k( 293) = ( 0.3341239 -0.5249129 -1.0200036), wk = 0.0023148 k( 294) = ( 0.3385788 -0.5319118 -1.0336037), wk = 0.0023148 k( 295) = ( 0.3430338 -0.5389106 -1.0472037), wk = 0.0023148 k( 296) = ( 0.6569662 -0.3932778 -0.9583635), wk = 0.0023148 k( 297) = ( 0.6526060 -0.3783080 -0.9583635), wk = 0.0023148 k( 298) = ( 0.6482458 -0.3633383 -0.9583635), wk = 0.0023148 k( 299) = ( 0.6438856 -0.3483686 -0.9583635), wk = 0.0023148 k( 300) = ( 0.6395255 -0.3333988 -0.9583635), wk = 0.0023148 k( 301) = ( 0.6351653 -0.3184291 -0.9583635), wk = 0.0023148 k( 302) = ( 0.6308051 -0.3034594 -0.9583635), wk = 0.0023148 k( 303) = ( 0.6264450 -0.2884896 -0.9583635), wk = 0.0023148 k( 304) = ( 0.6220848 -0.2735199 -0.9583635), wk = 0.0023148 k( 305) = ( 0.6177246 -0.2585501 -0.9583635), wk = 0.0023148 k( 306) = ( 0.6133644 -0.2435804 -0.9583635), wk = 0.0023148 k( 307) = ( 0.6090043 -0.2286107 -0.9583635), wk = 0.0023148 k( 308) = ( 0.6046441 -0.2136409 -0.9583635), wk = 0.0023148 k( 309) = ( 0.6002839 -0.1986712 -0.9583635), wk = 0.0023148 k( 310) = ( 0.5959238 -0.1837014 -0.9583635), wk = 0.0023148 k( 311) = ( 0.5915636 -0.1687317 -0.9583635), wk = 0.0023148 k( 312) = ( 0.5872034 -0.1537619 -0.9583635), wk = 0.0023148 k( 313) = ( 0.5828433 -0.1387922 -0.9583635), wk = 0.0023148 k( 314) = ( 0.5784831 -0.1238225 -0.9583635), wk = 0.0023148 k( 315) = ( 0.5741229 -0.1088527 -0.9583635), wk = 0.0023148 k( 316) = ( 0.5697627 -0.0938830 -0.9583635), wk = 0.0023148 k( 317) = ( 0.5654026 -0.0789133 -0.9583635), wk = 0.0023148 k( 318) = ( 0.5610424 -0.0639435 -0.9583635), wk = 0.0023148 k( 319) = ( 0.5566822 -0.0489738 -0.9583635), wk = 0.0023148 k( 320) = ( 0.5523221 -0.0340040 -0.9583635), wk = 0.0023148 k( 321) = ( 0.5479619 -0.0190343 -0.9583635), wk = 0.0023148 k( 322) = ( 0.5436017 -0.0040646 -0.9583635), wk = 0.0023148 k( 323) = ( 0.5392415 0.0109052 -0.9583635), wk = 0.0023148 k( 324) = ( 0.5348814 0.0258749 -0.9583635), wk = 0.0023148 k( 325) = ( 0.5305212 0.0408447 -0.9583635), wk = 0.0023148 k( 326) = ( 0.5261610 0.0558144 -0.9583635), wk = 0.0023148 k( 327) = ( 0.5218009 0.0707841 -0.9583635), wk = 0.0023148 k( 328) = ( 0.5174407 0.0857539 -0.9583635), wk = 0.0023148 k( 329) = ( 0.5130805 0.1007236 -0.9583635), wk = 0.0023148 k( 330) = ( 0.5087203 0.1156934 -0.9583635), wk = 0.0023148 k( 331) = ( 0.5043602 0.1306631 -0.9583635), wk = 0.0023148 k( 332) = ( 0.5000000 0.1456328 -0.9583635), wk = 0.0023148 k( 333) = ( 0.5000000 0.1456328 -0.9583635), wk = 0.0023148 k( 334) = ( 0.5130805 0.1494427 -0.9509601), wk = 0.0023148 k( 335) = ( 0.5261610 0.1532526 -0.9435568), wk = 0.0023148 k( 336) = ( 0.5392415 0.1570625 -0.9361534), wk = 0.0023148 k( 337) = ( 0.5523221 0.1608725 -0.9287500), wk = 0.0023148 k( 338) = ( 0.5654026 0.1646824 -0.9213467), wk = 0.0023148 k( 339) = ( 0.5784831 0.1684923 -0.9139433), wk = 0.0023148 k( 340) = ( 0.5915636 0.1723022 -0.9065400), wk = 0.0023148 k( 341) = ( 0.6046441 0.1761121 -0.8991366), wk = 0.0023148 k( 342) = ( 0.6177246 0.1799220 -0.8917333), wk = 0.0023148 k( 343) = ( 0.6308051 0.1837319 -0.8843299), wk = 0.0023148 k( 344) = ( 0.6438856 0.1875418 -0.8769266), wk = 0.0023148 k( 345) = ( 0.6569662 0.1913517 -0.8695232), wk = 0.0023148 k( 346) = ( 0.6569662 0.1913517 -0.8695232), wk = 0.0023148 k( 347) = ( 0.6544345 0.1906143 -0.8540657), wk = 0.0023148 k( 348) = ( 0.6519027 0.1898769 -0.8386083), wk = 0.0023148 k( 349) = ( 0.6493710 0.1891395 -0.8231508), wk = 0.0023148 k( 350) = ( 0.6468393 0.1884021 -0.8076933), wk = 0.0023148 k( 351) = ( 0.6443076 0.1876647 -0.7922358), wk = 0.0023148 k( 352) = ( 0.6417759 0.1869273 -0.7767784), wk = 0.0023148 k( 353) = ( 0.6392442 0.1861899 -0.7613209), wk = 0.0023148 k( 354) = ( 0.6367125 0.1854525 -0.7458634), wk = 0.0023148 k( 355) = ( 0.6341807 0.1847151 -0.7304059), wk = 0.0023148 k( 356) = ( 0.6316490 0.1839777 -0.7149485), wk = 0.0023148 k( 357) = ( 0.6291173 0.1832403 -0.6994910), wk = 0.0023148 k( 358) = ( 0.6265856 0.1825029 -0.6840335), wk = 0.0023148 k( 359) = ( 0.6240539 0.1817655 -0.6685760), wk = 0.0023148 k( 360) = ( 0.6215222 0.1810281 -0.6531186), wk = 0.0023148 k( 361) = ( 0.6189905 0.1802907 -0.6376611), wk = 0.0023148 k( 362) = ( 0.6164588 0.1795533 -0.6222036), wk = 0.0023148 k( 363) = ( 0.6139271 0.1788159 -0.6067461), wk = 0.0023148 k( 364) = ( 0.6113953 0.1780785 -0.5912887), wk = 0.0023148 k( 365) = ( 0.6088636 0.1773411 -0.5758312), wk = 0.0023148 k( 366) = ( 0.6063319 0.1766037 -0.5603737), wk = 0.0023148 k( 367) = ( 0.6038002 0.1758663 -0.5449162), wk = 0.0023148 k( 368) = ( 0.6012685 0.1751289 -0.5294587), wk = 0.0023148 k( 369) = ( 0.5987368 0.1743915 -0.5140013), wk = 0.0023148 k( 370) = ( 0.5962051 0.1736541 -0.4985438), wk = 0.0023148 k( 371) = ( 0.5936734 0.1729167 -0.4830863), wk = 0.0023148 k( 372) = ( 0.5911416 0.1721793 -0.4676289), wk = 0.0023148 k( 373) = ( 0.5886099 0.1714419 -0.4521714), wk = 0.0023148 k( 374) = ( 0.5860782 0.1707045 -0.4367139), wk = 0.0023148 k( 375) = ( 0.5835465 0.1699671 -0.4212564), wk = 0.0023148 k( 376) = ( 0.5810148 0.1692297 -0.4057990), wk = 0.0023148 k( 377) = ( 0.5784831 0.1684923 -0.3903415), wk = 0.0023148 k( 378) = ( 0.5759514 0.1677549 -0.3748840), wk = 0.0023148 k( 379) = ( 0.5734197 0.1670175 -0.3594265), wk = 0.0023148 k( 380) = ( 0.5708879 0.1662801 -0.3439690), wk = 0.0023148 k( 381) = ( 0.5683562 0.1655427 -0.3285116), wk = 0.0023148 k( 382) = ( 0.5658245 0.1648053 -0.3130541), wk = 0.0023148 k( 383) = ( 0.5632928 0.1640679 -0.2975966), wk = 0.0023148 k( 384) = ( 0.5607611 0.1633305 -0.2821392), wk = 0.0023148 k( 385) = ( 0.5582294 0.1625931 -0.2666817), wk = 0.0023148 k( 386) = ( 0.5556977 0.1618557 -0.2512242), wk = 0.0023148 k( 387) = ( 0.5531660 0.1611183 -0.2357667), wk = 0.0023148 k( 388) = ( 0.5506342 0.1603809 -0.2203093), wk = 0.0023148 k( 389) = ( 0.5481025 0.1596434 -0.2048518), wk = 0.0023148 k( 390) = ( 0.5455708 0.1589060 -0.1893943), wk = 0.0023148 k( 391) = ( 0.5430391 0.1581686 -0.1739368), wk = 0.0023148 k( 392) = ( 0.5405074 0.1574312 -0.1584794), wk = 0.0023148 k( 393) = ( 0.5379757 0.1566938 -0.1430219), wk = 0.0023148 k( 394) = ( 0.5354440 0.1559564 -0.1275644), wk = 0.0023148 k( 395) = ( 0.5329123 0.1552190 -0.1121069), wk = 0.0023148 k( 396) = ( 0.5303805 0.1544816 -0.0966495), wk = 0.0023148 k( 397) = ( 0.5278488 0.1537442 -0.0811920), wk = 0.0023148 k( 398) = ( 0.5253171 0.1530068 -0.0657345), wk = 0.0023148 k( 399) = ( 0.5227854 0.1522694 -0.0502770), wk = 0.0023148 k( 400) = ( 0.5202537 0.1515320 -0.0348196), wk = 0.0023148 k( 401) = ( 0.5177220 0.1507946 -0.0193621), wk = 0.0023148 k( 402) = ( 0.5151903 0.1500572 -0.0039046), wk = 0.0023148 k( 403) = ( 0.5126586 0.1493198 0.0115529), wk = 0.0023148 k( 404) = ( 0.5101269 0.1485824 0.0270103), wk = 0.0023148 k( 405) = ( 0.5075951 0.1478450 0.0424678), wk = 0.0023148 k( 406) = ( 0.5050634 0.1471076 0.0579253), wk = 0.0023148 k( 407) = ( 0.5025317 0.1463702 0.0733828), wk = 0.0023148 k( 408) = ( 0.5000000 0.1456328 0.0888402), wk = 0.0023148 k( 409) = ( 0.5000000 -0.7855065 -0.4791817), wk = 0.0023148 k( 410) = ( 0.5136492 -0.7791747 -0.4753191), wk = 0.0023148 k( 411) = ( 0.5272985 -0.7728428 -0.4714565), wk = 0.0023148 k( 412) = ( 0.5409477 -0.7665109 -0.4675939), wk = 0.0023148 k( 413) = ( 0.5545969 -0.7601791 -0.4637313), wk = 0.0023148 k( 414) = ( 0.5682462 -0.7538472 -0.4598686), wk = 0.0023148 k( 415) = ( 0.5818954 -0.7475153 -0.4560060), wk = 0.0023148 k( 416) = ( 0.5955446 -0.7411835 -0.4521434), wk = 0.0023148 k( 417) = ( 0.6091939 -0.7348516 -0.4482808), wk = 0.0023148 k( 418) = ( 0.6228431 -0.7285197 -0.4444182), wk = 0.0023148 k( 419) = ( 0.6364923 -0.7221879 -0.4405555), wk = 0.0023148 k( 420) = ( 0.6501415 -0.7158560 -0.4366929), wk = 0.0023148 k( 421) = ( 0.6637908 -0.7095242 -0.4328303), wk = 0.0023148 k( 422) = ( 0.6774400 -0.7031923 -0.4289677), wk = 0.0023148 k( 423) = ( 0.6910892 -0.6968604 -0.4251050), wk = 0.0023148 k( 424) = ( 0.7047385 -0.6905286 -0.4212424), wk = 0.0023148 k( 425) = ( 0.7183877 -0.6841967 -0.4173798), wk = 0.0023148 k( 426) = ( 0.7320369 -0.6778649 -0.4135172), wk = 0.0023148 k( 427) = ( 0.7456862 -0.6715330 -0.4096546), wk = 0.0023148 k( 428) = ( 0.7593354 -0.6652011 -0.4057920), wk = 0.0023148 k( 429) = ( 0.7729846 -0.6588693 -0.4019293), wk = 0.0023148 k( 430) = ( 0.7866339 -0.6525374 -0.3980667), wk = 0.0023148 k( 431) = ( 0.8002831 -0.6462055 -0.3942041), wk = 0.0023148 k( 432) = ( 0.8139323 -0.6398737 -0.3903415), wk = 0.0023148 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023148 k( 2) = ( 0.0075758 -0.0000000 -0.0000000), wk = 0.0023148 k( 3) = ( 0.0151515 -0.0000000 -0.0000000), wk = 0.0023148 k( 4) = ( 0.0227273 -0.0000000 -0.0000000), wk = 0.0023148 k( 5) = ( 0.0303030 -0.0000000 -0.0000000), wk = 0.0023148 k( 6) = ( 0.0378788 -0.0000000 -0.0000000), wk = 0.0023148 k( 7) = ( 0.0454546 -0.0000000 -0.0000000), wk = 0.0023148 k( 8) = ( 0.0530303 -0.0000000 0.0000000), wk = 0.0023148 k( 9) = ( 0.0606061 -0.0000000 -0.0000000), wk = 0.0023148 k( 10) = ( 0.0681818 -0.0000000 0.0000000), wk = 0.0023148 k( 11) = ( 0.0757576 -0.0000000 -0.0000000), wk = 0.0023148 k( 12) = ( 0.0833333 0.0000000 0.0000000), wk = 0.0023148 k( 13) = ( 0.0909091 -0.0000000 -0.0000000), wk = 0.0023148 k( 14) = ( 0.0984848 -0.0000000 0.0000000), wk = 0.0023148 k( 15) = ( 0.1060606 -0.0000000 -0.0000000), wk = 0.0023148 k( 16) = ( 0.1136364 -0.0000000 -0.0000000), wk = 0.0023148 k( 17) = ( 0.1212121 -0.0000000 -0.0000000), wk = 0.0023148 k( 18) = ( 0.1287879 -0.0000000 0.0000000), wk = 0.0023148 k( 19) = ( 0.1363636 -0.0000000 0.0000000), wk = 0.0023148 k( 20) = ( 0.1439394 -0.0000000 0.0000000), wk = 0.0023148 k( 21) = ( 0.1515151 -0.0000000 0.0000000), wk = 0.0023148 k( 22) = ( 0.1590909 -0.0000000 0.0000000), wk = 0.0023148 k( 23) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0023148 k( 24) = ( 0.1742424 -0.0000000 0.0000000), wk = 0.0023148 k( 25) = ( 0.1818182 -0.0000000 -0.0000000), wk = 0.0023148 k( 26) = ( 0.1893939 0.0000000 0.0000000), wk = 0.0023148 k( 27) = ( 0.1969697 -0.0000000 0.0000000), wk = 0.0023148 k( 28) = ( 0.2045454 -0.0000000 0.0000000), wk = 0.0023148 k( 29) = ( 0.2121212 0.0000000 -0.0000000), wk = 0.0023148 k( 30) = ( 0.2196970 -0.0000000 0.0000000), wk = 0.0023148 k( 31) = ( 0.2272727 -0.0000000 0.0000000), wk = 0.0023148 k( 32) = ( 0.2348485 -0.0000000 -0.0000000), wk = 0.0023148 k( 33) = ( 0.2424242 -0.0000000 -0.0000000), wk = 0.0023148 k( 34) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0023148 k( 35) = ( 0.2575758 -0.0000000 0.0000000), wk = 0.0023148 k( 36) = ( 0.2651515 -0.0000000 -0.0000000), wk = 0.0023148 k( 37) = ( 0.2727273 -0.0000000 0.0000000), wk = 0.0023148 k( 38) = ( 0.2803030 -0.0000000 -0.0000000), wk = 0.0023148 k( 39) = ( 0.2878788 -0.0000000 -0.0000000), wk = 0.0023148 k( 40) = ( 0.2954545 -0.0000000 0.0000000), wk = 0.0023148 k( 41) = ( 0.3030303 -0.0000000 0.0000000), wk = 0.0023148 k( 42) = ( 0.3106061 -0.0000000 -0.0000000), wk = 0.0023148 k( 43) = ( 0.3181818 -0.0000000 0.0000000), wk = 0.0023148 k( 44) = ( 0.3257576 -0.0000000 -0.0000000), wk = 0.0023148 k( 45) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0023148 k( 46) = ( 0.3409091 -0.0000000 0.0000000), wk = 0.0023148 k( 47) = ( 0.3484849 0.0000000 -0.0000000), wk = 0.0023148 k( 48) = ( 0.3560606 -0.0000000 0.0000000), wk = 0.0023148 k( 49) = ( 0.3636364 -0.0000000 -0.0000000), wk = 0.0023148 k( 50) = ( 0.3712121 -0.0000000 -0.0000000), wk = 0.0023148 k( 51) = ( 0.3787879 0.0000000 0.0000000), wk = 0.0023148 k( 52) = ( 0.3863636 0.0000000 -0.0000000), wk = 0.0023148 k( 53) = ( 0.3939394 -0.0000000 -0.0000000), wk = 0.0023148 k( 54) = ( 0.4015151 -0.0000000 -0.0000000), wk = 0.0023148 k( 55) = ( 0.4090909 0.0000000 -0.0000000), wk = 0.0023148 k( 56) = ( 0.4166667 0.0000000 -0.0000000), wk = 0.0023148 k( 57) = ( 0.4242424 0.0000000 -0.0000000), wk = 0.0023148 k( 58) = ( 0.4318182 0.0000000 -0.0000000), wk = 0.0023148 k( 59) = ( 0.4393939 -0.0000000 0.0000000), wk = 0.0023148 k( 60) = ( 0.4469697 -0.0000000 -0.0000000), wk = 0.0023148 k( 61) = ( 0.4545455 0.0000000 -0.0000000), wk = 0.0023148 k( 62) = ( 0.4621212 0.0000000 0.0000000), wk = 0.0023148 k( 63) = ( 0.4696970 0.0000000 0.0000000), wk = 0.0023148 k( 64) = ( 0.4772727 -0.0000000 -0.0000000), wk = 0.0023148 k( 65) = ( 0.4848485 -0.0000000 -0.0000000), wk = 0.0023148 k( 66) = ( 0.4924242 -0.0000000 -0.0000000), wk = 0.0023148 k( 67) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0023148 k( 68) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0023148 k( 69) = ( 0.5000000 0.0044302 -0.0044302), wk = 0.0023148 k( 70) = ( 0.5000000 0.0088604 -0.0088604), wk = 0.0023148 k( 71) = ( 0.5000000 0.0132906 -0.0132905), wk = 0.0023148 k( 72) = ( 0.5000000 0.0177207 -0.0177207), wk = 0.0023148 k( 73) = ( 0.5000000 0.0221509 -0.0221509), wk = 0.0023148 k( 74) = ( 0.5000000 0.0265811 -0.0265811), wk = 0.0023148 k( 75) = ( 0.5000000 0.0310113 -0.0310113), wk = 0.0023148 k( 76) = ( 0.5000000 0.0354415 -0.0354415), wk = 0.0023148 k( 77) = ( 0.5000000 0.0398716 -0.0398716), wk = 0.0023148 k( 78) = ( 0.5000000 0.0443018 -0.0443018), wk = 0.0023148 k( 79) = ( 0.5000000 0.0487320 -0.0487320), wk = 0.0023148 k( 80) = ( 0.5000000 0.0531622 -0.0531622), wk = 0.0023148 k( 81) = ( 0.5000000 0.0575924 -0.0575924), wk = 0.0023148 k( 82) = ( 0.5000000 0.0620226 -0.0620226), wk = 0.0023148 k( 83) = ( 0.5000000 0.0664527 -0.0664527), wk = 0.0023148 k( 84) = ( 0.5000000 0.0708829 -0.0708829), wk = 0.0023148 k( 85) = ( 0.5000000 0.0753131 -0.0753131), wk = 0.0023148 k( 86) = ( 0.5000000 0.0797433 -0.0797433), wk = 0.0023148 k( 87) = ( 0.5000000 0.0841735 -0.0841735), wk = 0.0023148 k( 88) = ( 0.5000000 0.0886036 -0.0886037), wk = 0.0023148 k( 89) = ( 0.5000000 0.0930338 -0.0930338), wk = 0.0023148 k( 90) = ( 0.5000000 0.0974640 -0.0974640), wk = 0.0023148 k( 91) = ( 0.5000000 0.1018942 -0.1018942), wk = 0.0023148 k( 92) = ( 0.5000000 0.1063244 -0.1063244), wk = 0.0023148 k( 93) = ( 0.5000000 0.1107546 -0.1107546), wk = 0.0023148 k( 94) = ( 0.5000000 0.1151848 -0.1151848), wk = 0.0023148 k( 95) = ( 0.5000000 0.1196149 -0.1196149), wk = 0.0023148 k( 96) = ( 0.5000000 0.1240451 -0.1240451), wk = 0.0023148 k( 97) = ( 0.5000000 0.1284753 -0.1284753), wk = 0.0023148 k( 98) = ( 0.5000000 0.1329055 -0.1329055), wk = 0.0023148 k( 99) = ( 0.5000000 0.1373357 -0.1373357), wk = 0.0023148 k( 100) = ( 0.5000000 0.1417659 -0.1417658), wk = 0.0023148 k( 101) = ( 0.5000000 0.1461960 -0.1461960), wk = 0.0023148 k( 102) = ( 0.5000000 0.1506262 -0.1506262), wk = 0.0023148 k( 103) = ( 0.5000000 0.1550564 -0.1550564), wk = 0.0023148 k( 104) = ( 0.5000000 0.1594866 -0.1594866), wk = 0.0023148 k( 105) = ( 0.5000000 0.1639168 -0.1639168), wk = 0.0023148 k( 106) = ( 0.5000000 0.1683469 -0.1683469), wk = 0.0023148 k( 107) = ( 0.5000000 0.1727771 -0.1727771), wk = 0.0023148 k( 108) = ( 0.5000000 0.1772073 -0.1772073), wk = 0.0023148 k( 109) = ( 0.5000000 0.1816375 -0.1816375), wk = 0.0023148 k( 110) = ( 0.5000000 0.1860677 -0.1860677), wk = 0.0023148 k( 111) = ( 0.8139323 0.5000000 0.1860677), wk = 0.0023148 k( 112) = ( 0.8095107 0.5000000 0.1904893), wk = 0.0023148 k( 113) = ( 0.8050892 0.5000000 0.1949108), wk = 0.0023148 k( 114) = ( 0.8006676 0.5000000 0.1993324), wk = 0.0023148 k( 115) = ( 0.7962460 0.5000000 0.2037540), wk = 0.0023148 k( 116) = ( 0.7918244 0.5000000 0.2081756), wk = 0.0023148 k( 117) = ( 0.7874028 0.5000000 0.2125972), wk = 0.0023148 k( 118) = ( 0.7829812 0.5000000 0.2170187), wk = 0.0023148 k( 119) = ( 0.7785597 0.5000000 0.2214403), wk = 0.0023148 k( 120) = ( 0.7741381 0.5000000 0.2258619), wk = 0.0023148 k( 121) = ( 0.7697165 0.5000000 0.2302835), wk = 0.0023148 k( 122) = ( 0.7652949 0.5000000 0.2347051), wk = 0.0023148 k( 123) = ( 0.7608733 0.5000000 0.2391267), wk = 0.0023148 k( 124) = ( 0.7564518 0.5000000 0.2435482), wk = 0.0023148 k( 125) = ( 0.7520302 0.5000000 0.2479698), wk = 0.0023148 k( 126) = ( 0.7476086 0.5000000 0.2523914), wk = 0.0023148 k( 127) = ( 0.7431870 0.5000000 0.2568130), wk = 0.0023148 k( 128) = ( 0.7387654 0.5000000 0.2612346), wk = 0.0023148 k( 129) = ( 0.7343439 0.5000000 0.2656561), wk = 0.0023148 k( 130) = ( 0.7299223 0.5000000 0.2700777), wk = 0.0023148 k( 131) = ( 0.7255007 0.5000000 0.2744993), wk = 0.0023148 k( 132) = ( 0.7210791 0.5000000 0.2789209), wk = 0.0023148 k( 133) = ( 0.7166575 0.5000000 0.2833425), wk = 0.0023148 k( 134) = ( 0.7122359 0.5000000 0.2877641), wk = 0.0023148 k( 135) = ( 0.7078144 0.5000000 0.2921856), wk = 0.0023148 k( 136) = ( 0.7033928 0.5000000 0.2966072), wk = 0.0023148 k( 137) = ( 0.6989712 0.5000000 0.3010288), wk = 0.0023148 k( 138) = ( 0.6945496 0.5000000 0.3054504), wk = 0.0023148 k( 139) = ( 0.6901280 0.5000000 0.3098720), wk = 0.0023148 k( 140) = ( 0.6857064 0.5000000 0.3142935), wk = 0.0023148 k( 141) = ( 0.6812849 0.5000000 0.3187151), wk = 0.0023148 k( 142) = ( 0.6768633 0.5000000 0.3231367), wk = 0.0023148 k( 143) = ( 0.6724417 0.5000000 0.3275583), wk = 0.0023148 k( 144) = ( 0.6680201 0.5000000 0.3319799), wk = 0.0023148 k( 145) = ( 0.6635985 0.5000000 0.3364015), wk = 0.0023148 k( 146) = ( 0.6591769 0.5000000 0.3408230), wk = 0.0023148 k( 147) = ( 0.6547554 0.5000000 0.3452446), wk = 0.0023148 k( 148) = ( 0.6503338 0.5000000 0.3496662), wk = 0.0023148 k( 149) = ( 0.6459122 0.5000000 0.3540878), wk = 0.0023148 k( 150) = ( 0.6414906 0.5000000 0.3585094), wk = 0.0023148 k( 151) = ( 0.6370690 0.5000000 0.3629310), wk = 0.0023148 k( 152) = ( 0.6326475 0.5000000 0.3673525), wk = 0.0023148 k( 153) = ( 0.6282259 0.5000000 0.3717741), wk = 0.0023148 k( 154) = ( 0.6238043 0.5000000 0.3761957), wk = 0.0023148 k( 155) = ( 0.6193827 0.5000000 0.3806173), wk = 0.0023148 k( 156) = ( 0.6149611 0.5000000 0.3850389), wk = 0.0023148 k( 157) = ( 0.6105396 0.5000000 0.3894605), wk = 0.0023148 k( 158) = ( 0.6061180 0.5000000 0.3938820), wk = 0.0023148 k( 159) = ( 0.6016964 0.5000000 0.3983036), wk = 0.0023148 k( 160) = ( 0.5972748 0.5000000 0.4027252), wk = 0.0023148 k( 161) = ( 0.5928532 0.5000000 0.4071468), wk = 0.0023148 k( 162) = ( 0.5884316 0.5000000 0.4115684), wk = 0.0023148 k( 163) = ( 0.5840101 0.5000000 0.4159899), wk = 0.0023148 k( 164) = ( 0.5795885 0.5000000 0.4204115), wk = 0.0023148 k( 165) = ( 0.5751669 0.5000000 0.4248331), wk = 0.0023148 k( 166) = ( 0.5707453 0.5000000 0.4292547), wk = 0.0023148 k( 167) = ( 0.5663237 0.5000000 0.4336763), wk = 0.0023148 k( 168) = ( 0.5619021 0.5000000 0.4380979), wk = 0.0023148 k( 169) = ( 0.5574806 0.5000000 0.4425194), wk = 0.0023148 k( 170) = ( 0.5530590 0.5000000 0.4469410), wk = 0.0023148 k( 171) = ( 0.5486374 0.5000000 0.4513626), wk = 0.0023148 k( 172) = ( 0.5442158 0.5000000 0.4557842), wk = 0.0023148 k( 173) = ( 0.5397942 0.5000000 0.4602058), wk = 0.0023148 k( 174) = ( 0.5353727 0.5000000 0.4646273), wk = 0.0023148 k( 175) = ( 0.5309511 0.5000000 0.4690489), wk = 0.0023148 k( 176) = ( 0.5265295 0.5000000 0.4734705), wk = 0.0023148 k( 177) = ( 0.5221079 0.5000000 0.4778921), wk = 0.0023148 k( 178) = ( 0.5176863 0.5000000 0.4823137), wk = 0.0023148 k( 179) = ( 0.5132648 0.5000000 0.4867353), wk = 0.0023148 k( 180) = ( 0.5088432 0.5000000 0.4911568), wk = 0.0023148 k( 181) = ( 0.5044216 0.5000000 0.4955784), wk = 0.0023148 k( 182) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023148 k( 183) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023148 k( 184) = ( 0.4852941 0.4852941 0.4852941), wk = 0.0023148 k( 185) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0023148 k( 186) = ( 0.4558823 0.4558823 0.4558823), wk = 0.0023148 k( 187) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0023148 k( 188) = ( 0.4264706 0.4264706 0.4264706), wk = 0.0023148 k( 189) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0023148 k( 190) = ( 0.3970588 0.3970588 0.3970588), wk = 0.0023148 k( 191) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0023148 k( 192) = ( 0.3676471 0.3676471 0.3676471), wk = 0.0023148 k( 193) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0023148 k( 194) = ( 0.3382353 0.3382353 0.3382353), wk = 0.0023148 k( 195) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0023148 k( 196) = ( 0.3088235 0.3088235 0.3088235), wk = 0.0023148 k( 197) = ( 0.2941177 0.2941177 0.2941177), wk = 0.0023148 k( 198) = ( 0.2794118 0.2794118 0.2794118), wk = 0.0023148 k( 199) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0023148 k( 200) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0023148 k( 201) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0023148 k( 202) = ( 0.2205882 0.2205882 0.2205882), wk = 0.0023148 k( 203) = ( 0.2058823 0.2058824 0.2058823), wk = 0.0023148 k( 204) = ( 0.1911765 0.1911765 0.1911765), wk = 0.0023148 k( 205) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0023148 k( 206) = ( 0.1617647 0.1617647 0.1617647), wk = 0.0023148 k( 207) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0023148 k( 208) = ( 0.1323529 0.1323529 0.1323529), wk = 0.0023148 k( 209) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0023148 k( 210) = ( 0.1029412 0.1029412 0.1029412), wk = 0.0023148 k( 211) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0023148 k( 212) = ( 0.0735294 0.0735294 0.0735294), wk = 0.0023148 k( 213) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0023148 k( 214) = ( 0.0441177 0.0441177 0.0441177), wk = 0.0023148 k( 215) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0023148 k( 216) = ( 0.0147059 0.0147059 0.0147059), wk = 0.0023148 k( 217) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023148 k( 218) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023148 k( 219) = ( 0.0044550 -0.0000000 -0.0044550), wk = 0.0023148 k( 220) = ( 0.0089100 -0.0000000 -0.0089100), wk = 0.0023148 k( 221) = ( 0.0133650 -0.0000000 -0.0133650), wk = 0.0023148 k( 222) = ( 0.0178199 -0.0000000 -0.0178199), wk = 0.0023148 k( 223) = ( 0.0222749 0.0000000 -0.0222749), wk = 0.0023148 k( 224) = ( 0.0267299 -0.0000000 -0.0267299), wk = 0.0023148 k( 225) = ( 0.0311849 -0.0000000 -0.0311849), wk = 0.0023148 k( 226) = ( 0.0356399 -0.0000000 -0.0356399), wk = 0.0023148 k( 227) = ( 0.0400949 -0.0000000 -0.0400949), wk = 0.0023148 k( 228) = ( 0.0445499 -0.0000000 -0.0445499), wk = 0.0023148 k( 229) = ( 0.0490048 -0.0000000 -0.0490048), wk = 0.0023148 k( 230) = ( 0.0534598 -0.0000000 -0.0534598), wk = 0.0023148 k( 231) = ( 0.0579148 -0.0000000 -0.0579148), wk = 0.0023148 k( 232) = ( 0.0623698 -0.0000000 -0.0623698), wk = 0.0023148 k( 233) = ( 0.0668248 -0.0000000 -0.0668248), wk = 0.0023148 k( 234) = ( 0.0712798 -0.0000000 -0.0712798), wk = 0.0023148 k( 235) = ( 0.0757347 -0.0000000 -0.0757347), wk = 0.0023148 k( 236) = ( 0.0801897 -0.0000000 -0.0801897), wk = 0.0023148 k( 237) = ( 0.0846447 0.0000000 -0.0846447), wk = 0.0023148 k( 238) = ( 0.0890997 -0.0000000 -0.0890997), wk = 0.0023148 k( 239) = ( 0.0935547 -0.0000000 -0.0935547), wk = 0.0023148 k( 240) = ( 0.0980097 0.0000000 -0.0980097), wk = 0.0023148 k( 241) = ( 0.1024647 -0.0000000 -0.1024647), wk = 0.0023148 k( 242) = ( 0.1069196 -0.0000000 -0.1069196), wk = 0.0023148 k( 243) = ( 0.1113746 -0.0000000 -0.1113746), wk = 0.0023148 k( 244) = ( 0.1158296 0.0000000 -0.1158296), wk = 0.0023148 k( 245) = ( 0.1202846 0.0000000 -0.1202846), wk = 0.0023148 k( 246) = ( 0.1247396 -0.0000000 -0.1247396), wk = 0.0023148 k( 247) = ( 0.1291946 -0.0000000 -0.1291946), wk = 0.0023148 k( 248) = ( 0.1336496 -0.0000000 -0.1336496), wk = 0.0023148 k( 249) = ( 0.1381045 -0.0000000 -0.1381045), wk = 0.0023148 k( 250) = ( 0.1425595 -0.0000000 -0.1425595), wk = 0.0023148 k( 251) = ( 0.1470145 0.0000000 -0.1470145), wk = 0.0023148 k( 252) = ( 0.1514695 0.0000000 -0.1514695), wk = 0.0023148 k( 253) = ( 0.1559245 -0.0000000 -0.1559245), wk = 0.0023148 k( 254) = ( 0.1603795 -0.0000000 -0.1603795), wk = 0.0023148 k( 255) = ( 0.1648344 0.0000000 -0.1648344), wk = 0.0023148 k( 256) = ( 0.1692894 -0.0000000 -0.1692894), wk = 0.0023148 k( 257) = ( 0.1737444 0.0000000 -0.1737444), wk = 0.0023148 k( 258) = ( 0.1781994 -0.0000000 -0.1781994), wk = 0.0023148 k( 259) = ( 0.1826544 0.0000000 -0.1826544), wk = 0.0023148 k( 260) = ( 0.1871094 0.0000000 -0.1871094), wk = 0.0023148 k( 261) = ( 0.1915643 -0.0000000 -0.1915644), wk = 0.0023148 k( 262) = ( 0.1960193 0.0000000 -0.1960193), wk = 0.0023148 k( 263) = ( 0.2004743 -0.0000000 -0.2004743), wk = 0.0023148 k( 264) = ( 0.2049293 -0.0000000 -0.2049293), wk = 0.0023148 k( 265) = ( 0.2093843 -0.0000000 -0.2093843), wk = 0.0023148 k( 266) = ( 0.2138393 -0.0000000 -0.2138393), wk = 0.0023148 k( 267) = ( 0.2182943 -0.0000000 -0.2182943), wk = 0.0023148 k( 268) = ( 0.2227493 0.0000000 -0.2227493), wk = 0.0023148 k( 269) = ( 0.2272042 0.0000000 -0.2272042), wk = 0.0023148 k( 270) = ( 0.2316592 -0.0000000 -0.2316592), wk = 0.0023148 k( 271) = ( 0.2361142 -0.0000000 -0.2361142), wk = 0.0023148 k( 272) = ( 0.2405692 0.0000000 -0.2405692), wk = 0.0023148 k( 273) = ( 0.2450242 -0.0000000 -0.2450242), wk = 0.0023148 k( 274) = ( 0.2494792 0.0000000 -0.2494792), wk = 0.0023148 k( 275) = ( 0.2539341 -0.0000000 -0.2539341), wk = 0.0023148 k( 276) = ( 0.2583891 -0.0000000 -0.2583891), wk = 0.0023148 k( 277) = ( 0.2628441 -0.0000000 -0.2628441), wk = 0.0023148 k( 278) = ( 0.2672991 -0.0000000 -0.2672991), wk = 0.0023148 k( 279) = ( 0.2717541 -0.0000000 -0.2717541), wk = 0.0023148 k( 280) = ( 0.2762091 -0.0000000 -0.2762091), wk = 0.0023148 k( 281) = ( 0.2806640 -0.0000000 -0.2806640), wk = 0.0023148 k( 282) = ( 0.2851190 -0.0000000 -0.2851190), wk = 0.0023148 k( 283) = ( 0.2895740 -0.0000000 -0.2895740), wk = 0.0023148 k( 284) = ( 0.2940290 0.0000000 -0.2940290), wk = 0.0023148 k( 285) = ( 0.2984840 -0.0000000 -0.2984840), wk = 0.0023148 k( 286) = ( 0.3029390 0.0000000 -0.3029390), wk = 0.0023148 k( 287) = ( 0.3073940 -0.0000000 -0.3073940), wk = 0.0023148 k( 288) = ( 0.3118489 -0.0000000 -0.3118489), wk = 0.0023148 k( 289) = ( 0.3163039 -0.0000000 -0.3163039), wk = 0.0023148 k( 290) = ( 0.3207589 0.0000000 -0.3207589), wk = 0.0023148 k( 291) = ( 0.3252139 0.0000000 -0.3252139), wk = 0.0023148 k( 292) = ( 0.3296689 0.0000000 -0.3296689), wk = 0.0023148 k( 293) = ( 0.3341239 -0.0000000 -0.3341239), wk = 0.0023148 k( 294) = ( 0.3385788 0.0000000 -0.3385789), wk = 0.0023148 k( 295) = ( 0.3430338 0.0000000 -0.3430338), wk = 0.0023148 k( 296) = ( 0.6569662 0.3430338 0.0000000), wk = 0.0023148 k( 297) = ( 0.6526060 0.3473940 0.0000000), wk = 0.0023148 k( 298) = ( 0.6482458 0.3517542 -0.0000000), wk = 0.0023148 k( 299) = ( 0.6438856 0.3561143 -0.0000000), wk = 0.0023148 k( 300) = ( 0.6395255 0.3604745 -0.0000000), wk = 0.0023148 k( 301) = ( 0.6351653 0.3648347 -0.0000000), wk = 0.0023148 k( 302) = ( 0.6308051 0.3691949 -0.0000000), wk = 0.0023148 k( 303) = ( 0.6264450 0.3735550 0.0000000), wk = 0.0023148 k( 304) = ( 0.6220848 0.3779152 -0.0000000), wk = 0.0023148 k( 305) = ( 0.6177246 0.3822754 -0.0000000), wk = 0.0023148 k( 306) = ( 0.6133644 0.3866355 -0.0000000), wk = 0.0023148 k( 307) = ( 0.6090043 0.3909957 -0.0000000), wk = 0.0023148 k( 308) = ( 0.6046441 0.3953559 -0.0000000), wk = 0.0023148 k( 309) = ( 0.6002839 0.3997161 -0.0000000), wk = 0.0023148 k( 310) = ( 0.5959238 0.4040762 -0.0000000), wk = 0.0023148 k( 311) = ( 0.5915636 0.4084364 -0.0000000), wk = 0.0023148 k( 312) = ( 0.5872034 0.4127966 -0.0000000), wk = 0.0023148 k( 313) = ( 0.5828433 0.4171568 -0.0000000), wk = 0.0023148 k( 314) = ( 0.5784831 0.4215169 -0.0000000), wk = 0.0023148 k( 315) = ( 0.5741229 0.4258771 -0.0000000), wk = 0.0023148 k( 316) = ( 0.5697627 0.4302373 -0.0000000), wk = 0.0023148 k( 317) = ( 0.5654026 0.4345974 -0.0000000), wk = 0.0023148 k( 318) = ( 0.5610424 0.4389576 -0.0000000), wk = 0.0023148 k( 319) = ( 0.5566822 0.4433178 -0.0000000), wk = 0.0023148 k( 320) = ( 0.5523221 0.4476779 -0.0000000), wk = 0.0023148 k( 321) = ( 0.5479619 0.4520381 -0.0000000), wk = 0.0023148 k( 322) = ( 0.5436017 0.4563983 -0.0000000), wk = 0.0023148 k( 323) = ( 0.5392415 0.4607585 -0.0000000), wk = 0.0023148 k( 324) = ( 0.5348814 0.4651186 -0.0000000), wk = 0.0023148 k( 325) = ( 0.5305212 0.4694788 -0.0000000), wk = 0.0023148 k( 326) = ( 0.5261610 0.4738390 -0.0000000), wk = 0.0023148 k( 327) = ( 0.5218009 0.4781991 -0.0000000), wk = 0.0023148 k( 328) = ( 0.5174407 0.4825593 -0.0000000), wk = 0.0023148 k( 329) = ( 0.5130805 0.4869195 -0.0000000), wk = 0.0023148 k( 330) = ( 0.5087203 0.4912797 0.0000000), wk = 0.0023148 k( 331) = ( 0.5043602 0.4956398 -0.0000000), wk = 0.0023148 k( 332) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023148 k( 333) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023148 k( 334) = ( 0.5130805 0.5130805 0.0155056), wk = 0.0023148 k( 335) = ( 0.5261610 0.5261610 0.0310113), wk = 0.0023148 k( 336) = ( 0.5392415 0.5392415 0.0465169), wk = 0.0023148 k( 337) = ( 0.5523221 0.5523221 0.0620226), wk = 0.0023148 k( 338) = ( 0.5654026 0.5654026 0.0775282), wk = 0.0023148 k( 339) = ( 0.5784831 0.5784831 0.0930338), wk = 0.0023148 k( 340) = ( 0.5915636 0.5915636 0.1085395), wk = 0.0023148 k( 341) = ( 0.6046441 0.6046441 0.1240451), wk = 0.0023148 k( 342) = ( 0.6177246 0.6177246 0.1395508), wk = 0.0023148 k( 343) = ( 0.6308051 0.6308051 0.1550564), wk = 0.0023148 k( 344) = ( 0.6438856 0.6438856 0.1705620), wk = 0.0023148 k( 345) = ( 0.6569662 0.6569662 0.1860677), wk = 0.0023148 k( 346) = ( 0.6569662 0.6569662 0.1860677), wk = 0.0023148 k( 347) = ( 0.6544345 0.6544345 0.1911311), wk = 0.0023148 k( 348) = ( 0.6519027 0.6519027 0.1961945), wk = 0.0023148 k( 349) = ( 0.6493710 0.6493710 0.2012579), wk = 0.0023148 k( 350) = ( 0.6468393 0.6468393 0.2063214), wk = 0.0023148 k( 351) = ( 0.6443076 0.6443076 0.2113848), wk = 0.0023148 k( 352) = ( 0.6417759 0.6417759 0.2164482), wk = 0.0023148 k( 353) = ( 0.6392442 0.6392442 0.2215116), wk = 0.0023148 k( 354) = ( 0.6367125 0.6367125 0.2265751), wk = 0.0023148 k( 355) = ( 0.6341807 0.6341807 0.2316385), wk = 0.0023148 k( 356) = ( 0.6316490 0.6316490 0.2367019), wk = 0.0023148 k( 357) = ( 0.6291173 0.6291173 0.2417653), wk = 0.0023148 k( 358) = ( 0.6265856 0.6265856 0.2468288), wk = 0.0023148 k( 359) = ( 0.6240539 0.6240539 0.2518922), wk = 0.0023148 k( 360) = ( 0.6215222 0.6215222 0.2569556), wk = 0.0023148 k( 361) = ( 0.6189905 0.6189905 0.2620190), wk = 0.0023148 k( 362) = ( 0.6164588 0.6164588 0.2670825), wk = 0.0023148 k( 363) = ( 0.6139271 0.6139271 0.2721459), wk = 0.0023148 k( 364) = ( 0.6113953 0.6113953 0.2772093), wk = 0.0023148 k( 365) = ( 0.6088636 0.6088636 0.2822727), wk = 0.0023148 k( 366) = ( 0.6063319 0.6063319 0.2873362), wk = 0.0023148 k( 367) = ( 0.6038002 0.6038002 0.2923996), wk = 0.0023148 k( 368) = ( 0.6012685 0.6012685 0.2974630), wk = 0.0023148 k( 369) = ( 0.5987368 0.5987368 0.3025264), wk = 0.0023148 k( 370) = ( 0.5962051 0.5962051 0.3075899), wk = 0.0023148 k( 371) = ( 0.5936734 0.5936734 0.3126533), wk = 0.0023148 k( 372) = ( 0.5911416 0.5911416 0.3177167), wk = 0.0023148 k( 373) = ( 0.5886099 0.5886099 0.3227801), wk = 0.0023148 k( 374) = ( 0.5860782 0.5860782 0.3278436), wk = 0.0023148 k( 375) = ( 0.5835465 0.5835465 0.3329070), wk = 0.0023148 k( 376) = ( 0.5810148 0.5810148 0.3379704), wk = 0.0023148 k( 377) = ( 0.5784831 0.5784831 0.3430338), wk = 0.0023148 k( 378) = ( 0.5759514 0.5759514 0.3480973), wk = 0.0023148 k( 379) = ( 0.5734197 0.5734197 0.3531607), wk = 0.0023148 k( 380) = ( 0.5708879 0.5708879 0.3582241), wk = 0.0023148 k( 381) = ( 0.5683562 0.5683562 0.3632875), wk = 0.0023148 k( 382) = ( 0.5658245 0.5658245 0.3683510), wk = 0.0023148 k( 383) = ( 0.5632928 0.5632928 0.3734144), wk = 0.0023148 k( 384) = ( 0.5607611 0.5607611 0.3784778), wk = 0.0023148 k( 385) = ( 0.5582294 0.5582294 0.3835412), wk = 0.0023148 k( 386) = ( 0.5556977 0.5556977 0.3886047), wk = 0.0023148 k( 387) = ( 0.5531660 0.5531660 0.3936681), wk = 0.0023148 k( 388) = ( 0.5506342 0.5506343 0.3987315), wk = 0.0023148 k( 389) = ( 0.5481025 0.5481025 0.4037949), wk = 0.0023148 k( 390) = ( 0.5455708 0.5455708 0.4088584), wk = 0.0023148 k( 391) = ( 0.5430391 0.5430391 0.4139218), wk = 0.0023148 k( 392) = ( 0.5405074 0.5405074 0.4189852), wk = 0.0023148 k( 393) = ( 0.5379757 0.5379757 0.4240486), wk = 0.0023148 k( 394) = ( 0.5354440 0.5354440 0.4291121), wk = 0.0023148 k( 395) = ( 0.5329123 0.5329123 0.4341755), wk = 0.0023148 k( 396) = ( 0.5303805 0.5303805 0.4392389), wk = 0.0023148 k( 397) = ( 0.5278488 0.5278488 0.4443023), wk = 0.0023148 k( 398) = ( 0.5253171 0.5253171 0.4493658), wk = 0.0023148 k( 399) = ( 0.5227854 0.5227854 0.4544292), wk = 0.0023148 k( 400) = ( 0.5202537 0.5202537 0.4594926), wk = 0.0023148 k( 401) = ( 0.5177220 0.5177220 0.4645560), wk = 0.0023148 k( 402) = ( 0.5151903 0.5151903 0.4696194), wk = 0.0023148 k( 403) = ( 0.5126586 0.5126586 0.4746829), wk = 0.0023148 k( 404) = ( 0.5101269 0.5101269 0.4797463), wk = 0.0023148 k( 405) = ( 0.5075951 0.5075951 0.4848097), wk = 0.0023148 k( 406) = ( 0.5050634 0.5050634 0.4898732), wk = 0.0023148 k( 407) = ( 0.5025317 0.5025317 0.4949366), wk = 0.0023148 k( 408) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023148 k( 409) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0023148 k( 410) = ( 0.5136492 0.0149145 0.0149145), wk = 0.0023148 k( 411) = ( 0.5272985 0.0298290 0.0298290), wk = 0.0023148 k( 412) = ( 0.5409477 0.0447435 0.0447435), wk = 0.0023148 k( 413) = ( 0.5545969 0.0596581 0.0596581), wk = 0.0023148 k( 414) = ( 0.5682462 0.0745726 0.0745726), wk = 0.0023148 k( 415) = ( 0.5818954 0.0894871 0.0894871), wk = 0.0023148 k( 416) = ( 0.5955446 0.1044016 0.1044016), wk = 0.0023148 k( 417) = ( 0.6091939 0.1193161 0.1193161), wk = 0.0023148 k( 418) = ( 0.6228431 0.1342306 0.1342306), wk = 0.0023148 k( 419) = ( 0.6364923 0.1491451 0.1491452), wk = 0.0023148 k( 420) = ( 0.6501415 0.1640597 0.1640597), wk = 0.0023148 k( 421) = ( 0.6637908 0.1789742 0.1789742), wk = 0.0023148 k( 422) = ( 0.6774400 0.1938887 0.1938887), wk = 0.0023148 k( 423) = ( 0.6910892 0.2088032 0.2088032), wk = 0.0023148 k( 424) = ( 0.7047385 0.2237177 0.2237177), wk = 0.0023148 k( 425) = ( 0.7183877 0.2386322 0.2386322), wk = 0.0023148 k( 426) = ( 0.7320369 0.2535467 0.2535468), wk = 0.0023148 k( 427) = ( 0.7456862 0.2684613 0.2684613), wk = 0.0023148 k( 428) = ( 0.7593354 0.2833758 0.2833758), wk = 0.0023148 k( 429) = ( 0.7729846 0.2982903 0.2982903), wk = 0.0023148 k( 430) = ( 0.7866339 0.3132048 0.3132048), wk = 0.0023148 k( 431) = ( 0.8002831 0.3281193 0.3281193), wk = 0.0023148 k( 432) = ( 0.8139323 0.3430338 0.3430338), wk = 0.0023148 Dense grid: 30591 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 222, 26) NL pseudopotentials 0.13 Mb ( 111, 76) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 849) G-vector shells 0.01 Mb ( 700) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.35 Mb ( 222, 104) Each subspace H/S matrix 0.01 Mb ( 26, 26) Each matrix 0.06 Mb ( 76, 2, 26) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./LiAlO2.save/charge-density.dat Starting wfc are 34 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.0 secs Computing kpt #: 2 total cpu time spent up to now is 4.4 secs Computing kpt #: 3 total cpu time spent up to now is 4.7 secs Computing kpt #: 4 total cpu time spent up to now is 5.1 secs Computing kpt #: 5 total cpu time spent up to now is 5.4 secs Computing kpt #: 6 total cpu time spent up to now is 5.8 secs Computing kpt #: 7 total cpu time spent up to now is 6.1 secs Computing kpt #: 8 total cpu time spent up to now is 6.4 secs Computing kpt #: 9 total cpu time spent up to now is 6.8 secs Computing kpt #: 10 total cpu time spent up to now is 7.1 secs Computing kpt #: 11 total cpu time spent up to now is 7.4 secs Computing kpt #: 12 total cpu time spent up to now is 7.7 secs Computing kpt #: 13 total cpu time spent up to now is 8.0 secs Computing kpt #: 14 total cpu time spent up to now is 8.3 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 8.9 secs Computing kpt #: 17 total cpu time spent up to now is 9.1 secs Computing kpt #: 18 total cpu time spent up to now is 9.4 secs Computing kpt #: 19 total cpu time spent up to now is 9.7 secs Computing kpt #: 20 total cpu time spent up to now is 10.0 secs Computing kpt #: 21 total cpu time spent up to now is 10.3 secs Computing kpt #: 22 total cpu time spent up to now is 10.6 secs Computing kpt #: 23 total cpu time spent up to now is 10.9 secs Computing kpt #: 24 total cpu time spent up to now is 11.2 secs Computing kpt #: 25 total cpu time spent up to now is 11.5 secs Computing kpt #: 26 total cpu time spent up to now is 11.8 secs Computing kpt #: 27 total cpu time spent up to now is 12.1 secs Computing kpt #: 28 total cpu time spent up to now is 12.4 secs Computing kpt #: 29 total cpu time spent up to now is 12.7 secs Computing kpt #: 30 total cpu time spent up to now is 13.0 secs Computing kpt #: 31 total cpu time spent up to now is 13.3 secs Computing kpt #: 32 total cpu time spent up to now is 13.6 secs Computing kpt #: 33 total cpu time spent up to now is 13.9 secs Computing kpt #: 34 total cpu time spent up to now is 14.2 secs Computing kpt #: 35 total cpu time spent up to now is 14.5 secs Computing kpt #: 36 total cpu time spent up to now is 14.8 secs Computing kpt #: 37 total cpu time spent up to now is 15.1 secs Computing kpt #: 38 total cpu time spent up to now is 15.4 secs Computing kpt #: 39 total cpu time spent up to now is 15.7 secs Computing kpt #: 40 total cpu time spent up to now is 16.0 secs Computing kpt #: 41 total cpu time spent up to now is 16.3 secs Computing kpt #: 42 total cpu time spent up to now is 16.6 secs Computing kpt #: 43 total cpu time spent up to now is 16.9 secs Computing kpt #: 44 total cpu time spent up to now is 17.2 secs Computing kpt #: 45 total cpu time spent up to now is 17.5 secs Computing kpt #: 46 total cpu time spent up to now is 17.8 secs Computing kpt #: 47 total cpu time spent up to now is 18.1 secs Computing kpt #: 48 total cpu time spent up to now is 18.4 secs Computing kpt #: 49 total cpu time spent up to now is 18.7 secs Computing kpt #: 50 total cpu time spent up to now is 19.0 secs Computing kpt #: 51 total cpu time spent up to now is 19.3 secs Computing kpt #: 52 total cpu time spent up to now is 19.6 secs Computing kpt #: 53 total cpu time spent up to now is 19.9 secs Computing kpt #: 54 total cpu time spent up to now is 20.2 secs Computing kpt #: 55 total cpu time spent up to now is 20.5 secs Computing kpt #: 56 total cpu time spent up to now is 20.8 secs Computing kpt #: 57 total cpu time spent up to now is 21.1 secs Computing kpt #: 58 total cpu time spent up to now is 21.4 secs Computing kpt #: 59 total cpu time spent up to now is 21.7 secs Computing kpt #: 60 total cpu time spent up to now is 22.0 secs Computing kpt #: 61 total cpu time spent up to now is 22.3 secs Computing kpt #: 62 total cpu time spent up to now is 22.6 secs Computing kpt #: 63 total cpu time spent up to now is 22.9 secs Computing kpt #: 64 total cpu time spent up to now is 23.2 secs Computing kpt #: 65 total cpu time spent up to now is 23.5 secs Computing kpt #: 66 total cpu time spent up to now is 23.7 secs Computing kpt #: 67 total cpu time spent up to now is 24.0 secs Computing kpt #: 68 total cpu time spent up to now is 24.3 secs Computing kpt #: 69 total cpu time spent up to now is 24.6 secs Computing kpt #: 70 total cpu time spent up to now is 24.9 secs Computing kpt #: 71 total cpu time spent up to now is 25.2 secs Computing kpt #: 72 total cpu time spent up to now is 25.5 secs Computing kpt #: 73 total cpu time spent up to now is 25.8 secs Computing kpt #: 74 total cpu time spent up to now is 26.1 secs Computing kpt #: 75 total cpu time spent up to now is 26.4 secs Computing kpt #: 76 total cpu time spent up to now is 26.7 secs Computing kpt #: 77 total cpu time spent up to now is 27.0 secs Computing kpt #: 78 total cpu time spent up to now is 27.4 secs Computing kpt #: 79 total cpu time spent up to now is 27.7 secs Computing kpt #: 80 total cpu time spent up to now is 28.0 secs Computing kpt #: 81 total cpu time spent up to now is 28.3 secs Computing kpt #: 82 total cpu time spent up to now is 28.6 secs Computing kpt #: 83 total cpu time spent up to now is 28.9 secs Computing kpt #: 84 total cpu time spent up to now is 29.2 secs Computing kpt #: 85 total cpu time spent up to now is 29.5 secs Computing kpt #: 86 total cpu time spent up to now is 29.8 secs Computing kpt #: 87 total cpu time spent up to now is 30.1 secs Computing kpt #: 88 total cpu time spent up to now is 30.4 secs Computing kpt #: 89 total cpu time spent up to now is 30.7 secs Computing kpt #: 90 total cpu time spent up to now is 31.0 secs Computing kpt #: 91 total cpu time spent up to now is 31.3 secs Computing kpt #: 92 total cpu time spent up to now is 31.6 secs Computing kpt #: 93 total cpu time spent up to now is 31.9 secs Computing kpt #: 94 total cpu time spent up to now is 32.2 secs Computing kpt #: 95 total cpu time spent up to now is 32.5 secs Computing kpt #: 96 total cpu time spent up to now is 32.8 secs Computing kpt #: 97 total cpu time spent up to now is 33.1 secs Computing kpt #: 98 total cpu time spent up to now is 33.5 secs Computing kpt #: 99 total cpu time spent up to now is 33.8 secs Computing kpt #: 100 total cpu time spent up to now is 34.1 secs Computing kpt #: 101 total cpu time spent up to now is 34.4 secs Computing kpt #: 102 total cpu time spent up to now is 34.7 secs Computing kpt #: 103 total cpu time spent up to now is 35.0 secs Computing kpt #: 104 total cpu time spent up to now is 35.4 secs Computing kpt #: 105 total cpu time spent up to now is 35.7 secs Computing kpt #: 106 total cpu time spent up to now is 36.0 secs Computing kpt #: 107 total cpu time spent up to now is 36.3 secs Computing kpt #: 108 total cpu time spent up to now is 36.7 secs Computing kpt #: 109 total cpu time spent up to now is 37.0 secs Computing kpt #: 110 total cpu time spent up to now is 37.4 secs Computing kpt #: 111 total cpu time spent up to now is 37.7 secs Computing kpt #: 112 total cpu time spent up to now is 38.0 secs Computing kpt #: 113 total cpu time spent up to now is 38.3 secs Computing kpt #: 114 total cpu time spent up to now is 38.7 secs Computing kpt #: 115 total cpu time spent up to now is 39.0 secs Computing kpt #: 116 total cpu time spent up to now is 39.3 secs Computing kpt #: 117 total cpu time spent up to now is 39.6 secs Computing kpt #: 118 total cpu time spent up to now is 39.9 secs Computing kpt #: 119 total cpu time spent up to now is 40.2 secs Computing kpt #: 120 total cpu time spent up to now is 40.5 secs Computing kpt #: 121 total cpu time spent up to now is 40.8 secs Computing kpt #: 122 total cpu time spent up to now is 41.1 secs Computing kpt #: 123 total cpu time spent up to now is 41.5 secs Computing kpt #: 124 total cpu time spent up to now is 41.8 secs Computing kpt #: 125 total cpu time spent up to now is 42.1 secs Computing kpt #: 126 total cpu time spent up to now is 42.4 secs Computing kpt #: 127 total cpu time spent up to now is 42.7 secs Computing kpt #: 128 total cpu time spent up to now is 43.0 secs Computing kpt #: 129 total cpu time spent up to now is 43.3 secs Computing kpt #: 130 total cpu time spent up to now is 43.6 secs Computing kpt #: 131 total cpu time spent up to now is 43.9 secs Computing kpt #: 132 total cpu time spent up to now is 44.3 secs Computing kpt #: 133 total cpu time spent up to now is 44.6 secs Computing kpt #: 134 total cpu time spent up to now is 45.0 secs Computing kpt #: 135 total cpu time spent up to now is 45.4 secs Computing kpt #: 136 total cpu time spent up to now is 45.8 secs Computing kpt #: 137 total cpu time spent up to now is 46.2 secs Computing kpt #: 138 total cpu time spent up to now is 46.5 secs Computing kpt #: 139 total cpu time spent up to now is 46.9 secs Computing kpt #: 140 total cpu time spent up to now is 47.2 secs Computing kpt #: 141 total cpu time spent up to now is 47.5 secs Computing kpt #: 142 total cpu time spent up to now is 47.8 secs Computing kpt #: 143 total cpu time spent up to now is 48.1 secs Computing kpt #: 144 total cpu time spent up to now is 48.5 secs Computing kpt #: 145 total cpu time spent up to now is 48.8 secs Computing kpt #: 146 total cpu time spent up to now is 49.1 secs Computing kpt #: 147 total cpu time spent up to now is 49.4 secs Computing kpt #: 148 total cpu time spent up to now is 49.7 secs Computing kpt #: 149 total cpu time spent up to now is 50.0 secs Computing kpt #: 150 total cpu time spent up to now is 50.3 secs Computing kpt #: 151 total cpu time spent up to now is 50.6 secs Computing kpt #: 152 total cpu time spent up to now is 50.9 secs Computing kpt #: 153 total cpu time spent up to now is 51.2 secs Computing kpt #: 154 total cpu time spent up to now is 51.5 secs Computing kpt #: 155 total cpu time spent up to now is 51.8 secs Computing kpt #: 156 total cpu time spent up to now is 52.1 secs Computing kpt #: 157 total cpu time spent up to now is 52.3 secs Computing kpt #: 158 total cpu time spent up to now is 52.6 secs Computing kpt #: 159 total cpu time spent up to now is 52.9 secs Computing kpt #: 160 total cpu time spent up to now is 53.2 secs Computing kpt #: 161 total cpu time spent up to now is 53.5 secs Computing kpt #: 162 total cpu time spent up to now is 53.8 secs Computing kpt #: 163 total cpu time spent up to now is 54.0 secs Computing kpt #: 164 total cpu time spent up to now is 54.3 secs Computing kpt #: 165 total cpu time spent up to now is 54.6 secs Computing kpt #: 166 total cpu time spent up to now is 54.9 secs Computing kpt #: 167 total cpu time spent up to now is 55.2 secs Computing kpt #: 168 total cpu time spent up to now is 55.5 secs Computing kpt #: 169 total cpu time spent up to now is 55.8 secs Computing kpt #: 170 total cpu time spent up to now is 56.1 secs Computing kpt #: 171 total cpu time spent up to now is 56.4 secs Computing kpt #: 172 total cpu time spent up to now is 56.8 secs Computing kpt #: 173 total cpu time spent up to now is 57.1 secs Computing kpt #: 174 total cpu time spent up to now is 57.5 secs Computing kpt #: 175 total cpu time spent up to now is 57.8 secs Computing kpt #: 176 total cpu time spent up to now is 58.1 secs Computing kpt #: 177 total cpu time spent up to now is 58.5 secs Computing kpt #: 178 total cpu time spent up to now is 58.8 secs Computing kpt #: 179 total cpu time spent up to now is 59.1 secs Computing kpt #: 180 total cpu time spent up to now is 59.5 secs Computing kpt #: 181 total cpu time spent up to now is 59.8 secs Computing kpt #: 182 total cpu time spent up to now is 60.0 secs Computing kpt #: 183 total cpu time spent up to now is 60.3 secs Computing kpt #: 184 total cpu time spent up to now is 60.6 secs Computing kpt #: 185 total cpu time spent up to now is 60.9 secs Computing kpt #: 186 total cpu time spent up to now is 61.2 secs Computing kpt #: 187 total cpu time spent up to now is 61.5 secs Computing kpt #: 188 total cpu time spent up to now is 61.8 secs Computing kpt #: 189 total cpu time spent up to now is 62.1 secs Computing kpt #: 190 total cpu time spent up to now is 62.5 secs Computing kpt #: 191 total cpu time spent up to now is 62.8 secs Computing kpt #: 192 total cpu time spent up to now is 63.1 secs Computing kpt #: 193 total cpu time spent up to now is 63.6 secs Computing kpt #: 194 total cpu time spent up to now is 64.0 secs Computing kpt #: 195 total cpu time spent up to now is 64.6 secs Computing kpt #: 196 total cpu time spent up to now is 65.4 secs Computing kpt #: 197 total cpu time spent up to now is 65.9 secs Computing kpt #: 198 total cpu time spent up to now is 66.4 secs Computing kpt #: 199 total cpu time spent up to now is 66.9 secs Computing kpt #: 200 total cpu time spent up to now is 67.6 secs Computing kpt #: 201 total cpu time spent up to now is 68.1 secs Computing kpt #: 202 total cpu time spent up to now is 68.8 secs Computing kpt #: 203 total cpu time spent up to now is 69.1 secs Computing kpt #: 204 total cpu time spent up to now is 69.5 secs Computing kpt #: 205 total cpu time spent up to now is 69.9 secs Computing kpt #: 206 total cpu time spent up to now is 70.3 secs Computing kpt #: 207 total cpu time spent up to now is 70.7 secs Computing kpt #: 208 total cpu time spent up to now is 71.0 secs Computing kpt #: 209 total cpu time spent up to now is 71.4 secs Computing kpt #: 210 total cpu time spent up to now is 71.8 secs Computing kpt #: 211 total cpu time spent up to now is 72.2 secs Computing kpt #: 212 total cpu time spent up to now is 72.5 secs Computing kpt #: 213 total cpu time spent up to now is 72.8 secs Computing kpt #: 214 total cpu time spent up to now is 73.2 secs Computing kpt #: 215 total cpu time spent up to now is 73.6 secs Computing kpt #: 216 total cpu time spent up to now is 73.9 secs Computing kpt #: 217 total cpu time spent up to now is 74.2 secs Computing kpt #: 218 total cpu time spent up to now is 74.6 secs Computing kpt #: 219 total cpu time spent up to now is 74.9 secs Computing kpt #: 220 total cpu time spent up to now is 75.3 secs Computing kpt #: 221 total cpu time spent up to now is 75.6 secs Computing kpt #: 222 total cpu time spent up to now is 75.9 secs Computing kpt #: 223 total cpu time spent up to now is 76.3 secs Computing kpt #: 224 total cpu time spent up to now is 76.6 secs Computing kpt #: 225 total cpu time spent up to now is 77.0 secs Computing kpt #: 226 total cpu time spent up to now is 77.3 secs Computing kpt #: 227 total cpu time spent up to now is 77.5 secs Computing kpt #: 228 total cpu time spent up to now is 77.8 secs Computing kpt #: 229 total cpu time spent up to now is 78.1 secs Computing kpt #: 230 total cpu time spent up to now is 78.4 secs Computing kpt #: 231 total cpu time spent up to now is 78.7 secs Computing kpt #: 232 total cpu time spent up to now is 79.0 secs Computing kpt #: 233 total cpu time spent up to now is 79.3 secs Computing kpt #: 234 total cpu time spent up to now is 79.6 secs Computing kpt #: 235 total cpu time spent up to now is 79.9 secs Computing kpt #: 236 total cpu time spent up to now is 80.1 secs Computing kpt #: 237 total cpu time spent up to now is 80.4 secs Computing kpt #: 238 total cpu time spent up to now is 80.7 secs Computing kpt #: 239 total cpu time spent up to now is 81.0 secs Computing kpt #: 240 total cpu time spent up to now is 81.3 secs Computing kpt #: 241 total cpu time spent up to now is 81.6 secs Computing kpt #: 242 total cpu time spent up to now is 81.8 secs Computing kpt #: 243 total cpu time spent up to now is 82.1 secs Computing kpt #: 244 total cpu time spent up to now is 82.4 secs Computing kpt #: 245 total cpu time spent up to now is 82.7 secs Computing kpt #: 246 total cpu time spent up to now is 83.0 secs Computing kpt #: 247 total cpu time spent up to now is 83.2 secs Computing kpt #: 248 total cpu time spent up to now is 83.5 secs Computing kpt #: 249 total cpu time spent up to now is 83.8 secs Computing kpt #: 250 total cpu time spent up to now is 84.1 secs Computing kpt #: 251 total cpu time spent up to now is 84.4 secs Computing kpt #: 252 total cpu time spent up to now is 84.7 secs Computing kpt #: 253 total cpu time spent up to now is 85.0 secs Computing kpt #: 254 total cpu time spent up to now is 85.3 secs Computing kpt #: 255 total cpu time spent up to now is 85.6 secs Computing kpt #: 256 total cpu time spent up to now is 85.9 secs Computing kpt #: 257 total cpu time spent up to now is 86.2 secs Computing kpt #: 258 total cpu time spent up to now is 86.5 secs Computing kpt #: 259 total cpu time spent up to now is 86.8 secs Computing kpt #: 260 total cpu time spent up to now is 87.1 secs Computing kpt #: 261 total cpu time spent up to now is 87.4 secs Computing kpt #: 262 total cpu time spent up to now is 87.7 secs Computing kpt #: 263 total cpu time spent up to now is 88.1 secs Computing kpt #: 264 total cpu time spent up to now is 88.4 secs Computing kpt #: 265 total cpu time spent up to now is 88.7 secs Computing kpt #: 266 total cpu time spent up to now is 89.0 secs Computing kpt #: 267 total cpu time spent up to now is 89.3 secs Computing kpt #: 268 total cpu time spent up to now is 89.6 secs Computing kpt #: 269 total cpu time spent up to now is 89.9 secs Computing kpt #: 270 total cpu time spent up to now is 90.3 secs Computing kpt #: 271 total cpu time spent up to now is 90.6 secs Computing kpt #: 272 total cpu time spent up to now is 90.9 secs Computing kpt #: 273 total cpu time spent up to now is 91.2 secs Computing kpt #: 274 total cpu time spent up to now is 91.5 secs Computing kpt #: 275 total cpu time spent up to now is 91.8 secs Computing kpt #: 276 total cpu time spent up to now is 92.1 secs Computing kpt #: 277 total cpu time spent up to now is 92.5 secs Computing kpt #: 278 total cpu time spent up to now is 92.8 secs Computing kpt #: 279 total cpu time spent up to now is 93.1 secs Computing kpt #: 280 total cpu time spent up to now is 93.4 secs Computing kpt #: 281 total cpu time spent up to now is 93.7 secs Computing kpt #: 282 total cpu time spent up to now is 94.1 secs Computing kpt #: 283 total cpu time spent up to now is 94.4 secs Computing kpt #: 284 total cpu time spent up to now is 94.7 secs Computing kpt #: 285 total cpu time spent up to now is 95.0 secs Computing kpt #: 286 total cpu time spent up to now is 95.3 secs Computing kpt #: 287 total cpu time spent up to now is 95.6 secs Computing kpt #: 288 total cpu time spent up to now is 95.9 secs Computing kpt #: 289 total cpu time spent up to now is 96.2 secs Computing kpt #: 290 total cpu time spent up to now is 96.5 secs Computing kpt #: 291 total cpu time spent up to now is 96.8 secs Computing kpt #: 292 total cpu time spent up to now is 97.1 secs Computing kpt #: 293 total cpu time spent up to now is 97.4 secs Computing kpt #: 294 total cpu time spent up to now is 97.7 secs Computing kpt #: 295 total cpu time spent up to now is 98.0 secs Computing kpt #: 296 total cpu time spent up to now is 98.3 secs Computing kpt #: 297 total cpu time spent up to now is 98.6 secs Computing kpt #: 298 total cpu time spent up to now is 98.9 secs Computing kpt #: 299 total cpu time spent up to now is 99.2 secs Computing kpt #: 300 total cpu time spent up to now is 99.5 secs Computing kpt #: 301 total cpu time spent up to now is 99.8 secs Computing kpt #: 302 total cpu time spent up to now is 100.1 secs Computing kpt #: 303 total cpu time spent up to now is 100.4 secs Computing kpt #: 304 total cpu time spent up to now is 100.7 secs Computing kpt #: 305 total cpu time spent up to now is 101.0 secs Computing kpt #: 306 total cpu time spent up to now is 101.3 secs Computing kpt #: 307 total cpu time spent up to now is 101.6 secs Computing kpt #: 308 total cpu time spent up to now is 101.9 secs Computing kpt #: 309 total cpu time spent up to now is 102.2 secs Computing kpt #: 310 total cpu time spent up to now is 102.5 secs Computing kpt #: 311 total cpu time spent up to now is 102.8 secs Computing kpt #: 312 total cpu time spent up to now is 103.1 secs Computing kpt #: 313 total cpu time spent up to now is 103.4 secs Computing kpt #: 314 total cpu time spent up to now is 103.7 secs Computing kpt #: 315 total cpu time spent up to now is 104.0 secs Computing kpt #: 316 total cpu time spent up to now is 104.3 secs Computing kpt #: 317 total cpu time spent up to now is 104.6 secs Computing kpt #: 318 total cpu time spent up to now is 104.9 secs Computing kpt #: 319 total cpu time spent up to now is 105.2 secs Computing kpt #: 320 total cpu time spent up to now is 105.5 secs Computing kpt #: 321 total cpu time spent up to now is 105.8 secs Computing kpt #: 322 total cpu time spent up to now is 106.1 secs Computing kpt #: 323 total cpu time spent up to now is 106.4 secs Computing kpt #: 324 total cpu time spent up to now is 106.7 secs Computing kpt #: 325 total cpu time spent up to now is 107.0 secs Computing kpt #: 326 total cpu time spent up to now is 107.3 secs Computing kpt #: 327 total cpu time spent up to now is 107.6 secs Computing kpt #: 328 total cpu time spent up to now is 107.9 secs Computing kpt #: 329 total cpu time spent up to now is 109.5 secs Computing kpt #: 330 total cpu time spent up to now is 109.8 secs Computing kpt #: 331 total cpu time spent up to now is 110.1 secs Computing kpt #: 332 total cpu time spent up to now is 110.3 secs Computing kpt #: 333 total cpu time spent up to now is 110.6 secs Computing kpt #: 334 total cpu time spent up to now is 110.9 secs Computing kpt #: 335 total cpu time spent up to now is 111.2 secs Computing kpt #: 336 total cpu time spent up to now is 111.5 secs Computing kpt #: 337 total cpu time spent up to now is 111.8 secs Computing kpt #: 338 total cpu time spent up to now is 112.1 secs Computing kpt #: 339 total cpu time spent up to now is 112.3 secs Computing kpt #: 340 total cpu time spent up to now is 112.6 secs Computing kpt #: 341 total cpu time spent up to now is 112.9 secs Computing kpt #: 342 total cpu time spent up to now is 113.2 secs Computing kpt #: 343 total cpu time spent up to now is 113.5 secs Computing kpt #: 344 total cpu time spent up to now is 113.8 secs Computing kpt #: 345 total cpu time spent up to now is 114.1 secs Computing kpt #: 346 total cpu time spent up to now is 114.4 secs Computing kpt #: 347 total cpu time spent up to now is 114.7 secs Computing kpt #: 348 total cpu time spent up to now is 115.0 secs Computing kpt #: 349 total cpu time spent up to now is 115.3 secs Computing kpt #: 350 total cpu time spent up to now is 115.6 secs Computing kpt #: 351 total cpu time spent up to now is 115.9 secs Computing kpt #: 352 total cpu time spent up to now is 116.2 secs Computing kpt #: 353 total cpu time spent up to now is 116.5 secs Computing kpt #: 354 total cpu time spent up to now is 116.8 secs Computing kpt #: 355 total cpu time spent up to now is 117.1 secs Computing kpt #: 356 total cpu time spent up to now is 117.4 secs Computing kpt #: 357 total cpu time spent up to now is 117.7 secs Computing kpt #: 358 total cpu time spent up to now is 118.0 secs Computing kpt #: 359 total cpu time spent up to now is 118.3 secs Computing kpt #: 360 total cpu time spent up to now is 118.6 secs Computing kpt #: 361 total cpu time spent up to now is 118.9 secs Computing kpt #: 362 total cpu time spent up to now is 119.3 secs Computing kpt #: 363 total cpu time spent up to now is 119.6 secs Computing kpt #: 364 total cpu time spent up to now is 120.0 secs Computing kpt #: 365 total cpu time spent up to now is 120.3 secs Computing kpt #: 366 total cpu time spent up to now is 120.6 secs Computing kpt #: 367 total cpu time spent up to now is 120.9 secs Computing kpt #: 368 total cpu time spent up to now is 121.2 secs Computing kpt #: 369 total cpu time spent up to now is 121.6 secs Computing kpt #: 370 total cpu time spent up to now is 121.9 secs Computing kpt #: 371 total cpu time spent up to now is 122.2 secs Computing kpt #: 372 total cpu time spent up to now is 122.5 secs Computing kpt #: 373 total cpu time spent up to now is 122.8 secs Computing kpt #: 374 total cpu time spent up to now is 123.1 secs Computing kpt #: 375 total cpu time spent up to now is 123.4 secs Computing kpt #: 376 total cpu time spent up to now is 123.7 secs Computing kpt #: 377 total cpu time spent up to now is 124.1 secs Computing kpt #: 378 total cpu time spent up to now is 124.4 secs Computing kpt #: 379 total cpu time spent up to now is 124.6 secs Computing kpt #: 380 total cpu time spent up to now is 124.9 secs Computing kpt #: 381 total cpu time spent up to now is 125.2 secs Computing kpt #: 382 total cpu time spent up to now is 125.5 secs Computing kpt #: 383 total cpu time spent up to now is 125.8 secs Computing kpt #: 384 total cpu time spent up to now is 126.1 secs Computing kpt #: 385 total cpu time spent up to now is 126.3 secs Computing kpt #: 386 total cpu time spent up to now is 126.6 secs Computing kpt #: 387 total cpu time spent up to now is 126.9 secs Computing kpt #: 388 total cpu time spent up to now is 127.2 secs Computing kpt #: 389 total cpu time spent up to now is 127.4 secs Computing kpt #: 390 total cpu time spent up to now is 127.7 secs Computing kpt #: 391 total cpu time spent up to now is 128.0 secs Computing kpt #: 392 total cpu time spent up to now is 128.3 secs Computing kpt #: 393 total cpu time spent up to now is 128.6 secs Computing kpt #: 394 total cpu time spent up to now is 128.8 secs Computing kpt #: 395 total cpu time spent up to now is 129.1 secs Computing kpt #: 396 total cpu time spent up to now is 129.4 secs Computing kpt #: 397 total cpu time spent up to now is 129.8 secs Computing kpt #: 398 total cpu time spent up to now is 130.1 secs Computing kpt #: 399 total cpu time spent up to now is 130.5 secs Computing kpt #: 400 total cpu time spent up to now is 130.8 secs Computing kpt #: 401 total cpu time spent up to now is 131.2 secs Computing kpt #: 402 total cpu time spent up to now is 131.5 secs Computing kpt #: 403 total cpu time spent up to now is 131.8 secs Computing kpt #: 404 total cpu time spent up to now is 132.2 secs Computing kpt #: 405 total cpu time spent up to now is 132.5 secs Computing kpt #: 406 total cpu time spent up to now is 132.8 secs Computing kpt #: 407 total cpu time spent up to now is 133.1 secs Computing kpt #: 408 total cpu time spent up to now is 133.4 secs Computing kpt #: 409 total cpu time spent up to now is 133.7 secs Computing kpt #: 410 total cpu time spent up to now is 134.0 secs Computing kpt #: 411 total cpu time spent up to now is 134.3 secs Computing kpt #: 412 total cpu time spent up to now is 134.6 secs Computing kpt #: 413 total cpu time spent up to now is 134.9 secs Computing kpt #: 414 total cpu time spent up to now is 135.2 secs Computing kpt #: 415 total cpu time spent up to now is 135.4 secs Computing kpt #: 416 total cpu time spent up to now is 135.7 secs Computing kpt #: 417 total cpu time spent up to now is 136.0 secs Computing kpt #: 418 total cpu time spent up to now is 136.3 secs Computing kpt #: 419 total cpu time spent up to now is 136.6 secs Computing kpt #: 420 total cpu time spent up to now is 136.9 secs Computing kpt #: 421 total cpu time spent up to now is 137.1 secs Computing kpt #: 422 total cpu time spent up to now is 137.4 secs Computing kpt #: 423 total cpu time spent up to now is 137.7 secs Computing kpt #: 424 total cpu time spent up to now is 138.0 secs Computing kpt #: 425 total cpu time spent up to now is 138.3 secs Computing kpt #: 426 total cpu time spent up to now is 138.6 secs Computing kpt #: 427 total cpu time spent up to now is 138.8 secs Computing kpt #: 428 total cpu time spent up to now is 139.1 secs Computing kpt #: 429 total cpu time spent up to now is 139.4 secs Computing kpt #: 430 total cpu time spent up to now is 139.7 secs Computing kpt #: 431 total cpu time spent up to now is 140.0 secs Computing kpt #: 432 total cpu time spent up to now is 140.3 secs ethr = 5.56E-08, avg # of iterations = 18.9 total cpu time spent up to now is 140.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3863 PWs) bands (ev): -36.3455 -36.3455 -12.3232 -12.3232 -10.1894 -10.1894 1.5230 1.5230 5.3780 5.3780 5.4001 5.4001 6.1874 6.1874 6.2391 6.2391 6.2591 6.2591 12.8930 12.8930 14.7829 14.7829 20.3271 20.3271 21.8621 21.8621 k = 0.0076-0.0119-0.0073 ( 3864 PWs) bands (ev): -36.3455 -36.3455 -12.3224 -12.3224 -10.1891 -10.1891 1.5236 1.5236 5.3747 5.3747 5.3973 5.3973 6.1890 6.1890 6.2376 6.2376 6.2572 6.2572 12.8963 12.8963 14.7862 14.7862 20.3265 20.3265 21.8603 21.8603 k = 0.0152-0.0238-0.0145 ( 3864 PWs) bands (ev): -36.3454 -36.3454 -12.3202 -12.3202 -10.1880 -10.1880 1.5255 1.5255 5.3626 5.3626 5.3914 5.3914 6.1926 6.1926 6.2325 6.2325 6.2527 6.2527 12.9060 12.9060 14.7959 14.7959 20.3249 20.3249 21.8517 21.8517 k = 0.0227-0.0357-0.0218 ( 3856 PWs) bands (ev): -36.3453 -36.3453 -12.3164 -12.3164 -10.1863 -10.1863 1.5286 1.5286 5.3390 5.3390 5.3857 5.3857 6.1937 6.1937 6.2255 6.2255 6.2482 6.2482 12.9222 12.9222 14.8121 14.8121 20.3221 20.3221 21.8325 21.8325 k = 0.0303-0.0476-0.0290 ( 3856 PWs) bands (ev): -36.3452 -36.3452 -12.3111 -12.3111 -10.1838 -10.1838 1.5330 1.5330 5.3050 5.3050 5.3799 5.3799 6.1812 6.1812 6.2254 6.2254 6.2455 6.2455 12.9447 12.9447 14.8346 14.8346 20.3181 20.3181 21.8035 21.8035 k = 0.0379-0.0595-0.0363 ( 3860 PWs) bands (ev): -36.3450 -36.3450 -12.3044 -12.3044 -10.1806 -10.1806 1.5386 1.5386 5.2622 5.2622 5.3733 5.3733 6.1547 6.1547 6.2282 6.2282 6.2481 6.2481 12.9732 12.9732 14.8633 14.8633 20.3130 20.3130 21.7661 21.7661 k = 0.0455-0.0714-0.0436 ( 3858 PWs) bands (ev): -36.3448 -36.3448 -12.2962 -12.2962 -10.1768 -10.1768 1.5455 1.5455 5.2118 5.2118 5.3657 5.3657 6.1195 6.1195 6.2257 6.2257 6.2584 6.2584 13.0077 13.0077 14.8980 14.8980 20.3068 20.3068 21.7212 21.7212 k = 0.0530-0.0833-0.0508 ( 3858 PWs) bands (ev): -36.3445 -36.3445 -12.2864 -12.2864 -10.1723 -10.1723 1.5536 1.5536 5.1548 5.1548 5.3570 5.3570 6.0774 6.0774 6.2202 6.2202 6.2720 6.2720 13.0478 13.0478 14.9385 14.9385 20.2993 20.2993 21.6696 21.6696 k = 0.0606-0.0952-0.0581 ( 3859 PWs) bands (ev): -36.3442 -36.3442 -12.2752 -12.2752 -10.1671 -10.1671 1.5629 1.5629 5.0920 5.0920 5.3472 5.3472 6.0293 6.0293 6.2131 6.2131 6.2862 6.2862 13.0932 13.0932 14.9847 14.9847 20.2906 20.2906 21.6120 21.6120 k = 0.0682-0.1071-0.0653 ( 3859 PWs) bands (ev): -36.3438 -36.3438 -12.2626 -12.2626 -10.1613 -10.1613 1.5734 1.5734 5.0241 5.0241 5.3361 5.3361 5.9757 5.9757 6.2050 6.2050 6.3000 6.3000 13.1437 13.1437 15.0363 15.0363 20.2806 20.2806 21.5491 21.5491 k = 0.0758-0.1190-0.0726 ( 3857 PWs) bands (ev): -36.3434 -36.3434 -12.2485 -12.2485 -10.1549 -10.1549 1.5851 1.5851 4.9515 4.9515 5.3240 5.3240 5.9169 5.9169 6.1958 6.1958 6.3129 6.3129 13.1989 13.1989 15.0929 15.0929 20.2692 20.2692 21.4816 21.4816 k = 0.0833-0.1309-0.0799 ( 3855 PWs) bands (ev): -36.3430 -36.3430 -12.2329 -12.2329 -10.1478 -10.1478 1.5980 1.5980 4.8749 4.8749 5.3108 5.3108 5.8535 5.8535 6.1857 6.1857 6.3246 6.3246 13.2585 13.2585 15.1543 15.1543 20.2565 20.2565 21.4102 21.4102 k = 0.0909-0.1428-0.0871 ( 3855 PWs) bands (ev): -36.3425 -36.3425 -12.2159 -12.2159 -10.1402 -10.1402 1.6120 1.6120 4.7945 4.7945 5.2965 5.2965 5.7858 5.7858 6.1747 6.1747 6.3348 6.3348 13.3221 13.3221 15.2201 15.2201 20.2424 20.2424 21.3356 21.3356 k = 0.0985-0.1547-0.0944 ( 3857 PWs) bands (ev): -36.3420 -36.3420 -12.1975 -12.1975 -10.1320 -10.1320 1.6272 1.6272 4.7108 4.7108 5.2812 5.2812 5.7142 5.7142 6.1628 6.1628 6.3433 6.3433 13.3893 13.3893 15.2901 15.2901 20.2267 20.2267 21.2584 21.2584 k = 0.1061-0.1666-0.1016 ( 3858 PWs) bands (ev): -36.3415 -36.3415 -12.1777 -12.1777 -10.1233 -10.1233 1.6434 1.6434 4.6240 4.6240 5.2650 5.2650 5.6392 5.6392 6.1501 6.1501 6.3500 6.3500 13.4599 13.4599 15.3638 15.3638 20.2093 20.2093 21.1791 21.1791 k = 0.1136-0.1785-0.1089 ( 3857 PWs) bands (ev): -36.3409 -36.3409 -12.1566 -12.1566 -10.1140 -10.1140 1.6608 1.6608 4.5346 4.5346 5.2478 5.2478 5.5611 5.5611 6.1365 6.1365 6.3548 6.3548 13.5335 13.5335 15.4408 15.4408 20.1903 20.1903 21.0985 21.0985 k = 0.1212-0.1904-0.1162 ( 3859 PWs) bands (ev): -36.3403 -36.3403 -12.1340 -12.1340 -10.1043 -10.1043 1.6791 1.6791 4.4427 4.4427 5.2298 5.2298 5.4803 5.4803 6.1223 6.1223 6.3578 6.3578 13.6097 13.6097 15.5209 15.5209 20.1694 20.1694 21.0170 21.0170 k = 0.1288-0.2023-0.1234 ( 3861 PWs) bands (ev): -36.3397 -36.3397 -12.1102 -12.1102 -10.0941 -10.0941 1.6985 1.6985 4.3485 4.3485 5.2110 5.2110 5.3972 5.3972 6.1072 6.1072 6.3588 6.3588 13.6883 13.6883 15.6034 15.6034 20.1466 20.1466 20.9354 20.9354 k = 0.1364-0.2142-0.1307 ( 3863 PWs) bands (ev): -36.3390 -36.3390 -12.0850 -12.0850 -10.0834 -10.0834 1.7188 1.7188 4.2524 4.2524 5.1915 5.1915 5.3123 5.3123 6.0915 6.0915 6.3578 6.3578 13.7688 13.7688 15.6882 15.6882 20.1216 20.1216 20.8540 20.8540 k = 0.1439-0.2261-0.1379 ( 3861 PWs) bands (ev): -36.3383 -36.3383 -12.0585 -12.0585 -10.0724 -10.0724 1.7400 1.7400 4.1546 4.1546 5.1710 5.1710 5.2259 5.2259 6.0752 6.0752 6.3549 6.3549 13.8511 13.8511 15.7746 15.7746 20.0943 20.0943 20.7736 20.7736 k = 0.1515-0.2380-0.1452 ( 3862 PWs) bands (ev): -36.3376 -36.3376 -12.0307 -12.0307 -10.0611 -10.0611 1.7620 1.7620 4.0553 4.0553 5.1357 5.1357 5.1526 5.1526 6.0582 6.0582 6.3500 6.3500 13.9348 13.9348 15.8622 15.8622 20.0645 20.0645 20.6947 20.6947 k = 0.1591-0.2499-0.1525 ( 3862 PWs) bands (ev): -36.3369 -36.3369 -12.0017 -12.0017 -10.0494 -10.0494 1.7849 1.7849 3.9547 3.9547 5.0484 5.0484 5.1298 5.1298 6.0406 6.0406 6.3432 6.3432 14.0196 14.0196 15.9505 15.9505 20.0319 20.0319 20.6180 20.6180 k = 0.1667-0.2618-0.1597 ( 3862 PWs) bands (ev): -36.3361 -36.3361 -11.9715 -11.9715 -10.0374 -10.0374 1.8084 1.8084 3.8530 3.8530 4.9592 4.9592 5.1079 5.1079 6.0225 6.0225 6.3345 6.3345 14.1053 14.1053 16.0391 16.0391 19.9965 19.9965 20.5439 20.5439 k = 0.1742-0.2737-0.1670 ( 3863 PWs) bands (ev): -36.3353 -36.3353 -11.9402 -11.9402 -10.0253 -10.0253 1.8325 1.8325 3.7505 3.7505 4.8696 4.8696 5.0856 5.0856 6.0039 6.0039 6.3238 6.3238 14.1916 14.1916 16.1275 16.1275 19.9579 19.9579 20.4731 20.4731 k = 0.1818-0.2856-0.1742 ( 3863 PWs) bands (ev): -36.3345 -36.3345 -11.9076 -11.9076 -10.0129 -10.0129 1.8570 1.8570 3.6473 3.6473 4.7801 4.7801 5.0630 5.0630 5.9849 5.9849 6.3113 6.3113 14.2782 14.2782 16.2150 16.2150 19.9160 19.9160 20.4061 20.4061 k = 0.1894-0.2975-0.1815 ( 3860 PWs) bands (ev): -36.3337 -36.3337 -11.8740 -11.8740 -10.0004 -10.0004 1.8820 1.8820 3.5437 3.5437 4.6910 4.6910 5.0400 5.0400 5.9654 5.9654 6.2970 6.2970 14.3649 14.3649 16.3011 16.3011 19.8709 19.8709 20.3434 20.3434 k = 0.1970-0.3094-0.1888 ( 3855 PWs) bands (ev): -36.3328 -36.3328 -11.8393 -11.8393 -9.9878 -9.9878 1.9071 1.9071 3.4399 3.4399 4.6026 4.6026 5.0169 5.0169 5.9456 5.9456 6.2808 6.2808 14.4515 14.4515 16.3853 16.3853 19.8226 19.8226 20.2851 20.2851 k = 0.2045-0.3213-0.1960 ( 3852 PWs) bands (ev): -36.3320 -36.3320 -11.8035 -11.8035 -9.9752 -9.9752 1.9322 1.9322 3.3361 3.3361 4.5153 4.5153 4.9935 4.9935 5.9256 5.9256 6.2627 6.2627 14.5377 14.5377 16.4670 16.4670 19.7713 19.7713 20.2316 20.2316 k = 0.2121-0.3332-0.2033 ( 3850 PWs) bands (ev): -36.3311 -36.3311 -11.7667 -11.7667 -9.9626 -9.9626 1.9571 1.9571 3.2327 3.2327 4.4293 4.4293 4.9700 4.9700 5.9052 5.9052 6.2429 6.2429 14.6234 14.6234 16.5455 16.5455 19.7175 19.7175 20.1828 20.1828 k = 0.2197-0.3451-0.2105 ( 3847 PWs) bands (ev): -36.3302 -36.3302 -11.7290 -11.7290 -9.9500 -9.9500 1.9815 1.9815 3.1298 3.1298 4.3450 4.3450 4.9465 4.9465 5.8847 5.8847 6.2214 6.2214 14.7082 14.7082 16.6203 16.6203 19.6615 19.6615 20.1387 20.1387 k = 0.2273-0.3570-0.2178 ( 3845 PWs) bands (ev): -36.3294 -36.3294 -11.6903 -11.6903 -9.9376 -9.9376 2.0051 2.0051 3.0279 3.0279 4.2628 4.2628 4.9229 4.9229 5.8640 5.8640 6.1981 6.1981 14.7920 14.7920 16.6909 16.6909 19.6038 19.6038 20.0992 20.0992 k = 0.2348-0.3690-0.2251 ( 3843 PWs) bands (ev): -36.3285 -36.3285 -11.6508 -11.6508 -9.9253 -9.9253 2.0273 2.0273 2.9272 2.9272 4.1830 4.1830 4.8993 4.8993 5.8432 5.8432 6.1731 6.1731 14.8746 14.8746 16.7566 16.7566 19.5449 19.5449 20.0643 20.0643 k = 0.2424-0.3809-0.2323 ( 3842 PWs) bands (ev): -36.3276 -36.3276 -11.6105 -11.6105 -9.9133 -9.9133 2.0475 2.0475 2.8284 2.8284 4.1062 4.1062 4.8759 4.8759 5.8223 5.8223 6.1464 6.1464 14.9557 14.9557 16.8170 16.8170 19.4850 19.4850 20.0336 20.0336 k = 0.2500-0.3928-0.2396 ( 3842 PWs) bands (ev): -36.3267 -36.3267 -11.5694 -11.5694 -9.9016 -9.9016 2.0649 2.0649 2.7323 2.7323 4.0326 4.0326 4.8525 4.8525 5.8014 5.8014 6.1181 6.1181 15.0352 15.0352 16.8717 16.8717 19.4243 19.4243 20.0067 20.0067 k = 0.2576-0.4047-0.2469 ( 3846 PWs) bands (ev): -36.3258 -36.3258 -11.5275 -11.5275 -9.8902 -9.8902 2.0781 2.0781 2.6398 2.6398 3.9629 3.9629 4.8294 4.8294 5.7806 5.7806 6.0882 6.0882 15.1129 15.1129 16.9205 16.9205 19.3631 19.3631 19.9825 19.9825 k = 0.2652-0.4166-0.2541 ( 3840 PWs) bands (ev): -36.3249 -36.3249 -11.4850 -11.4850 -9.8792 -9.8792 2.0851 2.0851 2.5528 2.5528 3.8975 3.8975 4.8065 4.8065 5.7598 5.7598 6.0566 6.0566 15.1885 15.1885 16.9630 16.9630 19.3014 19.3014 19.9587 19.9587 k = 0.2727-0.4285-0.2614 ( 3838 PWs) bands (ev): -36.3240 -36.3240 -11.4419 -11.4419 -9.8687 -9.8687 2.0828 2.0828 2.4741 2.4741 3.8369 3.8369 4.7838 4.7838 5.7392 5.7392 6.0235 6.0235 15.2618 15.2618 16.9994 16.9994 19.2394 19.2394 19.9314 19.9314 k = 0.2803-0.4404-0.2686 ( 3840 PWs) bands (ev): -36.3231 -36.3231 -11.3983 -11.3983 -9.8588 -9.8588 2.0669 2.0669 2.4078 2.4078 3.7817 3.7817 4.7615 4.7615 5.7188 5.7188 5.9889 5.9889 15.3327 15.3327 17.0298 17.0298 19.1770 19.1770 19.8975 19.8975 k = 0.2879-0.4523-0.2759 ( 3830 PWs) bands (ev): -36.3222 -36.3222 -11.3541 -11.3541 -9.8494 -9.8494 2.0333 2.0333 2.3575 2.3575 3.7326 3.7326 4.7396 4.7396 5.6986 5.6986 5.9527 5.9527 15.4008 15.4008 17.0544 17.0544 19.1143 19.1143 19.8582 19.8582 k = 0.2955-0.4642-0.2832 ( 3830 PWs) bands (ev): -36.3213 -36.3213 -11.3096 -11.3096 -9.8407 -9.8407 1.9818 1.9818 2.3231 2.3231 3.6901 3.6901 4.7180 4.7180 5.6786 5.6786 5.9151 5.9151 15.4661 15.4661 17.0738 17.0738 19.0515 19.0515 19.8170 19.8170 k = 0.3030-0.4761-0.2904 ( 3831 PWs) bands (ev): -36.3205 -36.3205 -11.2647 -11.2647 -9.8327 -9.8327 1.9170 1.9170 2.2999 2.2999 3.6546 3.6546 4.6969 4.6969 5.6590 5.6590 5.8760 5.8760 15.5282 15.5282 17.0884 17.0884 18.9884 18.9884 19.7765 19.7765 k = 0.3106-0.4880-0.2977 ( 3831 PWs) bands (ev): -36.3197 -36.3197 -11.2195 -11.2195 -9.8255 -9.8255 1.8444 1.8444 2.2821 2.2821 3.6266 3.6266 4.6763 4.6763 5.6397 5.6397 5.8356 5.8356 15.5870 15.5870 17.0990 17.0990 18.9253 18.9253 19.7384 19.7384 k = 0.3182-0.4999-0.3049 ( 3831 PWs) bands (ev): -36.3188 -36.3188 -11.1742 -11.1742 -9.8192 -9.8192 1.7680 1.7680 2.2657 2.2657 3.6063 3.6063 4.6562 4.6562 5.6209 5.6209 5.7938 5.7938 15.6422 15.6422 17.1062 17.1062 18.8622 18.8622 19.7033 19.7033 k = 0.3258-0.5118-0.3122 ( 3836 PWs) bands (ev): -36.3180 -36.3180 -11.1287 -11.1287 -9.8137 -9.8137 1.6903 1.6903 2.2483 2.2483 3.5937 3.5937 4.6367 4.6367 5.6024 5.6024 5.7507 5.7507 15.6937 15.6937 17.1110 17.1110 18.7991 18.7991 19.6719 19.6719 k = 0.3333-0.5237-0.3195 ( 3836 PWs) bands (ev): -36.3172 -36.3172 -11.0831 -11.0831 -9.8092 -9.8092 1.6128 1.6128 2.2288 2.2288 3.5888 3.5888 4.6178 4.6178 5.5844 5.5844 5.7063 5.7063 15.7412 15.7412 17.1139 17.1139 18.7361 18.7361 19.6442 19.6442 k = 0.3409-0.5356-0.3267 ( 3840 PWs) bands (ev): -36.3165 -36.3165 -11.0376 -11.0376 -9.8056 -9.8056 1.5364 1.5364 2.2066 2.2066 3.5912 3.5912 4.5995 4.5995 5.5668 5.5668 5.6608 5.6608 15.7845 15.7845 17.1160 17.1160 18.6733 18.6733 19.6206 19.6206 k = 0.3485-0.5475-0.3340 ( 3836 PWs) bands (ev): -36.3157 -36.3157 -10.9923 -10.9923 -9.8031 -9.8031 1.4618 1.4618 2.1820 2.1820 3.6006 3.6006 4.5818 4.5818 5.5496 5.5496 5.6143 5.6143 15.8237 15.8237 17.1178 17.1178 18.6107 18.6107 19.6010 19.6010 k = 0.3561-0.5594-0.3412 ( 3834 PWs) bands (ev): -36.3150 -36.3150 -10.9471 -10.9471 -9.8017 -9.8017 1.3894 1.3894 2.1550 2.1550 3.6163 3.6163 4.5648 4.5648 5.5323 5.5323 5.5673 5.5673 15.8585 15.8585 17.1200 17.1200 18.5486 18.5486 19.5855 19.5855 k = 0.3636-0.5713-0.3485 ( 3829 PWs) bands (ev): -36.3143 -36.3143 -10.9023 -10.9023 -9.8014 -9.8014 1.3195 1.3195 2.1263 2.1263 3.6378 3.6378 4.5486 4.5486 5.5085 5.5085 5.5263 5.5263 15.8889 15.8889 17.1233 17.1233 18.4868 18.4868 19.5741 19.5741 k = 0.3712-0.5832-0.3558 ( 3828 PWs) bands (ev): -36.3136 -36.3136 -10.8579 -10.8579 -9.8022 -9.8022 1.2523 1.2523 2.0962 2.0962 3.6644 3.6644 4.5330 4.5330 5.4637 5.4637 5.5060 5.5060 15.9151 15.9151 17.1280 17.1280 18.4256 18.4256 19.5667 19.5667 k = 0.3788-0.5951-0.3630 ( 3825 PWs) bands (ev): -36.3130 -36.3130 -10.8140 -10.8140 -9.8042 -9.8042 1.1881 1.1881 2.0653 2.0653 3.6956 3.6956 4.5183 4.5183 5.4133 5.4133 5.4909 5.4909 15.9371 15.9371 17.1347 17.1347 18.3650 18.3650 19.5631 19.5631 k = 0.3864-0.6070-0.3703 ( 3825 PWs) bands (ev): -36.3124 -36.3124 -10.7708 -10.7708 -9.8074 -9.8074 1.1271 1.1271 2.0341 2.0341 3.7308 3.7308 4.5043 4.5043 5.3614 5.3614 5.4770 5.4770 15.9550 15.9550 17.1435 17.1435 18.3050 18.3050 19.5633 19.5633 k = 0.3939-0.6189-0.3775 ( 3827 PWs) bands (ev): -36.3118 -36.3118 -10.7284 -10.7284 -9.8117 -9.8117 1.0693 1.0693 2.0031 2.0031 3.7696 3.7696 4.4911 4.4911 5.3085 5.3085 5.4641 5.4641 15.9693 15.9693 17.1547 17.1547 18.2459 18.2459 19.5670 19.5670 k = 0.4015-0.6308-0.3848 ( 3823 PWs) bands (ev): -36.3113 -36.3113 -10.6869 -10.6869 -9.8172 -9.8172 1.0150 1.0150 1.9728 1.9728 3.8114 3.8114 4.4788 4.4788 5.2547 5.2547 5.4519 5.4519 15.9802 15.9802 17.1684 17.1684 18.1876 18.1876 19.5740 19.5740 k = 0.4091-0.6427-0.3921 ( 3819 PWs) bands (ev): -36.3108 -36.3108 -10.6465 -10.6465 -9.8237 -9.8237 0.9642 0.9642 1.9434 1.9434 3.8559 3.8559 4.4673 4.4673 5.2001 5.2001 5.4407 5.4407 15.9881 15.9881 17.1845 17.1845 18.1304 18.1304 19.5839 19.5839 k = 0.4167-0.6546-0.3993 ( 3825 PWs) bands (ev): -36.3103 -36.3103 -10.6073 -10.6073 -9.8313 -9.8313 0.9172 0.9172 1.9153 1.9153 3.9027 3.9027 4.4566 4.4566 5.1447 5.1447 5.4302 5.4302 15.9935 15.9935 17.2031 17.2031 18.0741 18.0741 19.5964 19.5964 k = 0.4242-0.6665-0.4066 ( 3823 PWs) bands (ev): -36.3099 -36.3099 -10.5696 -10.5696 -9.8398 -9.8398 0.8738 0.8738 1.8889 1.8889 3.9516 3.9516 4.4469 4.4469 5.0887 5.0887 5.4206 5.4206 15.9967 15.9967 17.2239 17.2239 18.0190 18.0190 19.6112 19.6112 k = 0.4318-0.6784-0.4138 ( 3821 PWs) bands (ev): -36.3095 -36.3095 -10.5336 -10.5336 -9.8491 -9.8491 0.8344 0.8344 1.8643 1.8643 4.0023 4.0023 4.4380 4.4380 5.0320 5.0320 5.4119 5.4119 15.9982 15.9982 17.2471 17.2471 17.9650 17.9650 19.6277 19.6277 k = 0.4394-0.6903-0.4211 ( 3815 PWs) bands (ev): -36.3091 -36.3091 -10.4995 -10.4995 -9.8591 -9.8591 0.7989 0.7989 1.8418 1.8418 4.0544 4.0544 4.4300 4.4300 4.9749 4.9749 5.4040 5.4040 15.9984 15.9984 17.2724 17.2724 17.9123 17.9123 19.6454 19.6454 k = 0.4470-0.7022-0.4284 ( 3815 PWs) bands (ev): -36.3088 -36.3088 -10.4676 -10.4676 -9.8694 -9.8694 0.7674 0.7674 1.8216 1.8216 4.1079 4.1079 4.4230 4.4230 4.9173 4.9173 5.3970 5.3970 15.9977 15.9977 17.2997 17.2997 17.8609 17.8609 19.6639 19.6639 k = 0.4545-0.7141-0.4356 ( 3809 PWs) bands (ev): -36.3085 -36.3085 -10.4384 -10.4384 -9.8799 -9.8799 0.7399 0.7399 1.8037 1.8037 4.1625 4.1625 4.4168 4.4168 4.8593 4.8593 5.3910 5.3910 15.9963 15.9963 17.3289 17.3289 17.8109 17.8109 19.6823 19.6823 k = 0.4621-0.7260-0.4429 ( 3805 PWs) bands (ev): -36.3083 -36.3083 -10.4122 -10.4122 -9.8901 -9.8901 0.7166 0.7166 1.7885 1.7885 4.2180 4.2180 4.4117 4.4117 4.8011 4.8011 5.3858 5.3858 15.9947 15.9947 17.3600 17.3600 17.7623 17.7623 19.7001 19.7001 k = 0.4697-0.7379-0.4501 ( 3807 PWs) bands (ev): -36.3081 -36.3081 -10.3896 -10.3896 -9.8995 -9.8995 0.6975 0.6975 1.7758 1.7758 4.2742 4.2742 4.4075 4.4075 4.7427 4.7427 5.3816 5.3816 15.9931 15.9931 17.3929 17.3929 17.7151 17.7151 19.7163 19.7163 k = 0.4773-0.7498-0.4574 ( 3808 PWs) bands (ev): -36.3080 -36.3080 -10.3711 -10.3711 -9.9077 -9.9077 0.6826 0.6826 1.7659 1.7659 4.3307 4.3307 4.4045 4.4045 4.6842 4.6842 5.3783 5.3783 15.9916 15.9916 17.4275 17.4275 17.6694 17.6694 19.7302 19.7302 k = 0.4848-0.7617-0.4647 ( 3806 PWs) bands (ev): -36.3079 -36.3079 -10.3573 -10.3573 -9.9141 -9.9141 0.6719 0.6719 1.7587 1.7587 4.3853 4.3853 4.4047 4.4047 4.6259 4.6259 5.3760 5.3760 15.9904 15.9904 17.4638 17.4638 17.6252 17.6252 19.7409 19.7409 k = 0.4924-0.7736-0.4719 ( 3806 PWs) bands (ev): -36.3078 -36.3078 -10.3488 -10.3488 -9.9182 -9.9182 0.6655 0.6655 1.7544 1.7544 4.3986 4.3986 4.4465 4.4465 4.5687 4.5687 5.3745 5.3745 15.9896 15.9896 17.5017 17.5017 17.5825 17.5825 19.7476 19.7476 k = 0.5000-0.7855-0.4792 ( 3800 PWs) bands (ev): -36.3078 -36.3078 -10.3459 -10.3459 -9.9196 -9.9196 0.6634 0.6634 1.7530 1.7530 4.3986 4.3986 4.4885 4.4885 4.5261 4.5261 5.3741 5.3741 15.9894 15.9894 17.5388 17.5388 17.5438 17.5438 19.7499 19.7499 k = 0.5000-0.7855-0.4792 ( 3800 PWs) bands (ev): -36.3078 -36.3078 -10.3459 -10.3459 -9.9196 -9.9196 0.6634 0.6634 1.7530 1.7530 4.3986 4.3986 4.4885 4.4885 4.5261 4.5261 5.3741 5.3741 15.9894 15.9894 17.5388 17.5388 17.5438 17.5438 19.7499 19.7499 k = 0.5000-0.7773-0.4927 ( 3806 PWs) bands (ev): -36.3078 -36.3078 -10.3455 -10.3455 -9.9194 -9.9194 0.6643 0.6643 1.7537 1.7537 4.3722 4.3722 4.5107 4.5107 4.5259 4.5259 5.3734 5.3734 15.9934 15.9934 17.5388 17.5388 17.5475 17.5475 19.7502 19.7502 k = 0.5000-0.7690-0.5062 ( 3804 PWs) bands (ev): -36.3077 -36.3077 -10.3444 -10.3444 -9.9190 -9.9190 0.6670 0.6670 1.7558 1.7558 4.3218 4.3218 4.5177 4.5177 4.5564 4.5564 5.3712 5.3712 16.0056 16.0056 17.5386 17.5386 17.5586 17.5586 19.7509 19.7509 k = 0.5000-0.7608-0.5198 ( 3806 PWs) bands (ev): -36.3077 -36.3077 -10.3425 -10.3425 -9.9183 -9.9183 0.6716 0.6716 1.7593 1.7593 4.2642 4.2642 4.5099 4.5099 4.6004 4.6004 5.3678 5.3678 16.0257 16.0257 17.5385 17.5385 17.5770 17.5770 19.7521 19.7521 k = 0.5000-0.7525-0.5333 ( 3806 PWs) bands (ev): -36.3077 -36.3077 -10.3399 -10.3399 -9.9174 -9.9174 0.6780 0.6780 1.7642 1.7642 4.2025 4.2025 4.4983 4.4983 4.6436 4.6436 5.3632 5.3632 16.0536 16.0536 17.5384 17.5384 17.6025 17.6025 19.7538 19.7538 k = 0.5000-0.7443-0.5468 ( 3812 PWs) bands (ev): -36.3076 -36.3076 -10.3366 -10.3366 -9.9162 -9.9162 0.6862 0.6862 1.7704 1.7704 4.1375 4.1375 4.4833 4.4833 4.6852 4.6852 5.3576 5.3576 16.0890 16.0890 17.5384 17.5384 17.6351 17.6351 19.7560 19.7560 k = 0.5000-0.7360-0.5603 ( 3810 PWs) bands (ev): -36.3075 -36.3075 -10.3325 -10.3325 -9.9147 -9.9147 0.6962 0.6962 1.7780 1.7780 4.0696 4.0696 4.4647 4.4647 4.7248 4.7248 5.3511 5.3511 16.1315 16.1315 17.5386 17.5386 17.6746 17.6746 19.7586 19.7586 k = 0.5000-0.7278-0.5739 ( 3814 PWs) bands (ev): -36.3074 -36.3074 -10.3278 -10.3278 -9.9131 -9.9131 0.7081 0.7081 1.7869 1.7869 3.9991 3.9991 4.4426 4.4426 4.7625 4.7625 5.3441 5.3441 16.1806 16.1806 17.5393 17.5393 17.7207 17.7207 19.7617 19.7617 k = 0.5000-0.7195-0.5874 ( 3820 PWs) bands (ev): -36.3073 -36.3073 -10.3223 -10.3223 -9.9112 -9.9112 0.7216 0.7216 1.7971 1.7971 3.9261 3.9261 4.4169 4.4169 4.7982 4.7982 5.3368 5.3368 16.2357 16.2357 17.5408 17.5408 17.7731 17.7731 19.7651 19.7651 k = 0.5000-0.7113-0.6009 ( 3822 PWs) bands (ev): -36.3072 -36.3072 -10.3161 -10.3161 -9.9092 -9.9092 0.7370 0.7370 1.8086 1.8086 3.8507 3.8507 4.3876 4.3876 4.8322 4.8322 5.3293 5.3293 16.2961 16.2961 17.5432 17.5432 17.8317 17.8317 19.7690 19.7690 k = 0.5000-0.7030-0.6144 ( 3826 PWs) bands (ev): -36.3071 -36.3071 -10.3092 -10.3092 -9.9070 -9.9070 0.7541 0.7541 1.8214 1.8214 3.7732 3.7732 4.3547 4.3547 4.8644 4.8644 5.3219 5.3219 16.3611 16.3611 17.5471 17.5471 17.8960 17.8960 19.7732 19.7732 k = 0.5000-0.6948-0.6279 ( 3822 PWs) bands (ev): -36.3070 -36.3070 -10.3017 -10.3017 -9.9047 -9.9047 0.7729 0.7729 1.8353 1.8353 3.6938 3.6938 4.3184 4.3184 4.8950 4.8950 5.3149 5.3149 16.4294 16.4294 17.5531 17.5531 17.9657 17.9657 19.7777 19.7777 k = 0.5000-0.6865-0.6415 ( 3820 PWs) bands (ev): -36.3068 -36.3068 -10.2935 -10.2935 -9.9023 -9.9023 0.7934 0.7934 1.8504 1.8504 3.6127 3.6127 4.2787 4.2787 4.9240 4.9240 5.3083 5.3083 16.4999 16.4999 17.5619 17.5619 18.0403 18.0403 19.7825 19.7825 k = 0.5000-0.6783-0.6550 ( 3814 PWs) bands (ev): -36.3067 -36.3067 -10.2848 -10.2848 -9.8998 -9.8998 0.8156 0.8156 1.8666 1.8666 3.5300 3.5300 4.2358 4.2358 4.9516 4.9516 5.3023 5.3023 16.5712 16.5712 17.5744 17.5744 18.1197 18.1197 19.7280 19.7280 k = 0.5000-0.6700-0.6685 ( 3814 PWs) bands (ev): -36.3065 -36.3065 -10.2754 -10.2754 -9.8973 -9.8973 0.8394 0.8394 1.8837 1.8837 3.4461 3.4461 4.1900 4.1900 4.9778 4.9778 5.2969 5.2969 16.6415 16.6415 17.5919 17.5919 18.2032 18.2032 19.6510 19.6510 k = 0.5000-0.6618-0.6820 ( 3816 PWs) bands (ev): -36.3063 -36.3063 -10.2654 -10.2654 -9.8949 -9.8949 0.8648 0.8648 1.9018 1.9018 3.3612 3.3612 4.1415 4.1415 5.0027 5.0027 5.2924 5.2924 16.7089 16.7089 17.6158 17.6158 18.2904 18.2904 19.5709 19.5709 k = 0.5000-0.6535-0.6956 ( 3818 PWs) bands (ev): -36.3062 -36.3062 -10.2549 -10.2549 -9.8925 -9.8925 0.8918 0.8918 1.9208 1.9208 3.2756 3.2756 4.0907 4.0907 5.0264 5.0264 5.2886 5.2886 16.7713 16.7713 17.6474 17.6474 18.3809 18.3809 19.4879 19.4879 k = 0.5000-0.6453-0.7091 ( 3818 PWs) bands (ev): -36.3060 -36.3060 -10.2439 -10.2439 -9.8902 -9.8902 0.9202 0.9202 1.9405 1.9405 3.1895 3.1895 4.0378 4.0378 5.0490 5.0490 5.2856 5.2856 16.8268 16.8268 17.6881 17.6881 18.4743 18.4743 19.4025 19.4025 k = 0.5000-0.6370-0.7226 ( 3818 PWs) bands (ev): -36.3058 -36.3058 -10.2323 -10.2323 -9.8880 -9.8880 0.9501 0.9501 1.9608 1.9608 3.1032 3.1032 3.9833 3.9833 5.0704 5.0704 5.2834 5.2834 16.8739 16.8739 17.7389 17.7389 18.5699 18.5699 19.3150 19.3150 k = 0.5000-0.6288-0.7361 ( 3820 PWs) bands (ev): -36.3056 -36.3056 -10.2203 -10.2203 -9.8861 -9.8861 0.9813 0.9813 1.9815 1.9815 3.0170 3.0170 3.9276 3.9276 5.0908 5.0908 5.2820 5.2820 16.9120 16.9120 17.7997 17.7997 18.6674 18.6674 19.2258 19.2258 k = 0.5000-0.6205-0.7497 ( 3818 PWs) bands (ev): -36.3054 -36.3054 -10.2079 -10.2079 -9.8844 -9.8844 1.0138 1.0138 2.0025 2.0025 2.9312 2.9312 3.8711 3.8711 5.1102 5.1102 5.2814 5.2814 16.9410 16.9410 17.8697 17.8697 18.7661 18.7661 19.1354 19.1354 k = 0.5000-0.6123-0.7632 ( 3816 PWs) bands (ev): -36.3052 -36.3052 -10.1950 -10.1950 -9.8831 -9.8831 1.0474 1.0474 2.0236 2.0236 2.8462 2.8462 3.8144 3.8144 5.1285 5.1285 5.2815 5.2815 16.9617 16.9617 17.9476 17.9476 18.8652 18.8652 19.0443 19.0443 k = 0.5000-0.6040-0.7767 ( 3818 PWs) bands (ev): -36.3050 -36.3050 -10.1818 -10.1818 -9.8821 -9.8821 1.0821 1.0821 2.0446 2.0446 2.7623 2.7623 3.7578 3.7578 5.1459 5.1459 5.2823 5.2823 16.9753 16.9753 18.0315 18.0315 18.9413 18.9413 18.9758 18.9758 k = 0.5000-0.5958-0.7902 ( 3822 PWs) bands (ev): -36.3048 -36.3048 -10.1683 -10.1683 -9.8815 -9.8815 1.1177 1.1177 2.0651 2.0651 2.6799 2.6799 3.7021 3.7021 5.1623 5.1623 5.2837 5.2837 16.9831 16.9831 18.1192 18.1192 18.8563 18.8563 19.0676 19.0676 k = 0.5000-0.5875-0.8038 ( 3814 PWs) bands (ev): -36.3046 -36.3046 -10.1544 -10.1544 -9.8814 -9.8814 1.1540 1.1540 2.0848 2.0848 2.5993 2.5993 3.6477 3.6477 5.1778 5.1778 5.2857 5.2857 16.9861 16.9861 18.2088 18.2088 18.7635 18.7635 19.1663 19.1663 k = 0.5000-0.5793-0.8173 ( 3820 PWs) bands (ev): -36.3045 -36.3045 -10.1404 -10.1404 -9.8819 -9.8819 1.1907 1.1907 2.1033 2.1033 2.5210 2.5210 3.5954 3.5954 5.1923 5.1923 5.2882 5.2882 16.9856 16.9856 18.2985 18.2985 18.6703 18.6703 19.2641 19.2641 k = 0.5000-0.5710-0.8308 ( 3818 PWs) bands (ev): -36.3043 -36.3043 -10.1261 -10.1261 -9.8829 -9.8829 1.2275 1.2275 2.1203 2.1203 2.4456 2.4456 3.5457 3.5457 5.2058 5.2058 5.2912 5.2912 16.9823 16.9823 18.3863 18.3863 18.5773 18.5773 19.3604 19.3604 k = 0.5000-0.5628-0.8443 ( 3814 PWs) bands (ev): -36.3041 -36.3041 -10.1116 -10.1116 -9.8847 -9.8847 1.2640 1.2640 2.1352 2.1352 2.3736 2.3736 3.4994 3.4994 5.2184 5.2184 5.2948 5.2948 16.9769 16.9769 18.4692 18.4692 18.4863 18.4863 19.4546 19.4546 k = 0.5000-0.5545-0.8579 ( 3808 PWs) bands (ev): -36.3039 -36.3039 -10.0970 -10.0970 -9.8871 -9.8871 1.2996 1.2996 2.1476 2.1476 2.3058 2.3058 3.4572 3.4572 5.2300 5.2300 5.2987 5.2987 16.9702 16.9702 18.3921 18.3921 18.5509 18.5509 19.5463 19.5463 k = 0.5000-0.5462-0.8714 ( 3812 PWs) bands (ev): -36.3038 -36.3038 -10.0823 -10.0823 -9.8903 -9.8903 1.3335 1.3335 2.1568 2.1568 2.2431 2.2431 3.4199 3.4199 5.2405 5.2405 5.3030 5.3030 16.9625 16.9625 18.3008 18.3008 18.6243 18.6243 19.6349 19.6349 k = 0.5000-0.5380-0.8849 ( 3814 PWs) bands (ev): -36.3037 -36.3037 -10.0676 -10.0676 -9.8944 -9.8944 1.3647 1.3647 2.1622 2.1622 2.1869 2.1869 3.3882 3.3882 5.2501 5.2501 5.3077 5.3077 16.9544 16.9544 18.2104 18.2104 18.6905 18.6905 19.7201 19.7201 k = 0.5000-0.5297-0.8984 ( 3818 PWs) bands (ev): -36.3035 -36.3035 -10.0529 -10.0529 -9.8994 -9.8994 1.3920 1.3920 2.1377 2.1377 2.1644 2.1644 3.3626 3.3626 5.2585 5.2585 5.3127 5.3127 16.9462 16.9462 18.1210 18.1210 18.7484 18.7484 19.8015 19.8015 k = 0.5000-0.5215-0.9120 ( 3816 PWs) bands (ev): -36.3034 -36.3034 -10.0382 -10.0382 -9.9054 -9.9054 1.4136 1.4136 2.0987 2.0987 2.1614 2.1614 3.3438 3.3438 5.2659 5.2659 5.3180 5.3180 16.9382 16.9382 18.0328 18.0328 18.7975 18.7975 19.8788 19.8788 k = 0.5000-0.5132-0.9255 ( 3820 PWs) bands (ev): -36.3033 -36.3033 -10.0237 -10.0237 -9.9123 -9.9123 1.4278 1.4278 2.0709 2.0709 2.1541 2.1541 3.3319 3.3319 5.2722 5.2722 5.3235 5.3235 16.9308 16.9308 17.9459 17.9459 18.8373 18.8373 19.9349 19.9349 k = 0.5000-0.5050-0.9390 ( 3822 PWs) bands (ev): -36.3033 -36.3033 -10.0093 -10.0093 -9.9204 -9.9204 1.4334 1.4334 2.0559 2.0559 2.1422 2.1422 3.3272 3.3272 5.2774 5.2774 5.3292 5.3292 16.9243 16.9243 17.8605 17.8605 18.8681 18.8681 19.9498 19.9498 k = 0.5000-0.4967-0.9525 ( 3820 PWs) bands (ev): -36.3032 -36.3032 -9.9951 -9.9951 -9.9296 -9.9296 1.4299 1.4299 2.0542 2.0542 2.1262 2.1262 3.3295 3.3295 5.2815 5.2815 5.3352 5.3352 16.9189 16.9189 17.7767 17.7767 18.8900 18.8900 19.9642 19.9642 k = 0.5000-0.4885-0.9661 ( 3820 PWs) bands (ev): -36.3031 -36.3031 -9.9812 -9.9812 -9.9399 -9.9399 1.4180 1.4180 2.0652 2.0652 2.1064 2.1064 3.3385 3.3385 5.2843 5.2843 5.3413 5.3413 16.9148 16.9148 17.6945 17.6945 18.9038 18.9038 19.9775 19.9775 k = 0.5000-0.4802-0.9796 ( 3818 PWs) bands (ev): -36.3031 -36.3031 -9.9675 -9.9675 -9.9515 -9.9515 1.3994 1.3994 2.0818 2.0818 2.0888 2.0888 3.3538 3.3538 5.2860 5.2860 5.3476 5.3476 16.9123 16.9123 17.6141 17.6141 18.9102 18.9102 19.9891 19.9891 k = 0.5000-0.4720-0.9931 ( 3820 PWs) bands (ev): -36.3031 -36.3031 -9.9645 -9.9645 -9.9541 -9.9541 1.3762 1.3762 2.0574 2.0574 2.1187 2.1187 3.3748 3.3748 5.2865 5.2865 5.3540 5.3540 16.9115 16.9115 17.5355 17.5355 18.9101 18.9101 19.9982 19.9982 k = 0.5000-0.4637-1.0066 ( 3818 PWs) bands (ev): -36.3031 -36.3031 -9.9786 -9.9786 -9.9413 -9.9413 1.3504 1.3504 2.0299 2.0299 2.1568 2.1568 3.4010 3.4010 5.2858 5.2858 5.3605 5.3605 16.9127 16.9127 17.4589 17.4589 18.9045 18.9045 20.0041 20.0041 k = 0.5000-0.4555-1.0202 ( 3814 PWs) bands (ev): -36.3032 -36.3032 -9.9941 -9.9941 -9.9288 -9.9288 1.3237 1.3237 2.0011 2.0011 2.2004 2.2004 3.4317 3.4317 5.2838 5.2838 5.3671 5.3671 16.9160 16.9160 17.3842 17.3842 18.8941 18.8941 20.0063 20.0063 k = 0.5000-0.4472-1.0337 ( 3810 PWs) bands (ev): -36.3032 -36.3032 -10.0109 -10.0109 -9.9168 -9.9168 1.2973 1.2973 1.9718 1.9718 2.2482 2.2482 3.4665 3.4665 5.2806 5.2806 5.3737 5.3737 16.9216 16.9216 17.3117 17.3117 18.8798 18.8798 20.0045 20.0045 k = 0.5000-0.4390-1.0472 ( 3812 PWs) bands (ev): -36.3033 -36.3033 -10.0292 -10.0292 -9.9054 -9.9054 1.2723 1.2723 1.9424 1.9424 2.2992 2.2992 3.5048 3.5048 5.2762 5.2762 5.3804 5.3804 16.9296 16.9296 17.2413 17.2413 18.8623 18.8623 19.9984 19.9984 k = 0.8139-0.3476-0.8695 ( 3812 PWs) bands (ev): -36.3033 -36.3033 -10.0292 -10.0292 -9.9054 -9.9054 1.2723 1.2723 1.9424 1.9424 2.2992 2.2992 3.5048 3.5048 5.2762 5.2762 5.3804 5.3804 16.9296 16.9296 17.2413 17.2413 18.8623 18.8623 19.9984 19.9984 k = 0.8095-0.3406-0.8560 ( 3812 PWs) bands (ev): -36.3034 -36.3034 -10.0488 -10.0488 -9.8945 -9.8945 1.2493 1.2493 1.9135 1.9135 2.3526 2.3526 3.5461 3.5461 5.2707 5.2707 5.3871 5.3871 16.9402 16.9402 17.1732 17.1732 18.8422 18.8422 19.9879 19.9879 k = 0.8051-0.3337-0.8425 ( 3820 PWs) bands (ev): -36.3036 -36.3036 -10.0699 -10.0699 -9.8842 -9.8842 1.2288 1.2288 1.8856 1.8856 2.4080 2.4080 3.5901 3.5901 5.2639 5.2639 5.3938 5.3938 16.9533 16.9533 17.1073 17.1073 18.8202 18.8202 19.9729 19.9729 k = 0.8007-0.3267-0.8290 ( 3820 PWs) bands (ev): -36.3038 -36.3038 -10.0923 -10.0923 -9.8747 -9.8747 1.2112 1.2112 1.8590 1.8590 2.4650 2.4650 3.6365 3.6365 5.2560 5.2560 5.4006 5.4006 16.9692 16.9692 17.0438 17.0438 18.7968 18.7968 19.9535 19.9535 k = 0.7962-0.3198-0.8155 ( 3826 PWs) bands (ev): -36.3040 -36.3040 -10.1162 -10.1162 -9.8658 -9.8658 1.1968 1.1968 1.8340 1.8340 2.5232 2.5232 3.6850 3.6850 5.2470 5.2470 5.4073 5.4073 16.9824 16.9824 16.9879 16.9879 18.7722 18.7722 19.9297 19.9297 k = 0.7918-0.3128-0.8020 ( 3824 PWs) bands (ev): -36.3042 -36.3042 -10.1415 -10.1415 -9.8576 -9.8576 1.1858 1.1858 1.8109 1.8109 2.5823 2.5823 3.7352 3.7352 5.2369 5.2369 5.4140 5.4140 16.9237 16.9237 17.0093 17.0093 18.7471 18.7471 19.9018 19.9018 k = 0.7874-0.3059-0.7885 ( 3826 PWs) bands (ev): -36.3045 -36.3045 -10.1682 -10.1682 -9.8502 -9.8502 1.1784 1.1784 1.7901 1.7901 2.6421 2.6421 3.7869 3.7869 5.2258 5.2258 5.4206 5.4206 16.8673 16.8673 17.0335 17.0335 18.7215 18.7215 19.8699 19.8699 k = 0.7830-0.2989-0.7750 ( 3822 PWs) bands (ev): -36.3047 -36.3047 -10.1963 -10.1963 -9.8435 -9.8435 1.1746 1.1746 1.7717 1.7717 2.7024 2.7024 3.8401 3.8401 5.2138 5.2138 5.4272 5.4272 16.8133 16.8133 17.0606 17.0606 18.6959 18.6959 19.8344 19.8344 k = 0.7786-0.2920-0.7615 ( 3824 PWs) bands (ev): -36.3051 -36.3051 -10.2258 -10.2258 -9.8377 -9.8377 1.1745 1.1745 1.7558 1.7558 2.7630 2.7630 3.8943 3.8943 5.2008 5.2008 5.4337 5.4337 16.7618 16.7618 17.0904 17.0904 18.6705 18.6705 19.7955 19.7955 k = 0.7741-0.2850-0.7480 ( 3826 PWs) bands (ev): -36.3054 -36.3054 -10.2566 -10.2566 -9.8327 -9.8327 1.1782 1.1782 1.7428 1.7428 2.8237 2.8237 3.9496 3.9496 5.1871 5.1871 5.4402 5.4402 16.7129 16.7129 17.1229 17.1229 18.6455 18.6455 19.7537 19.7537 k = 0.7697-0.2781-0.7345 ( 3826 PWs) bands (ev): -36.3058 -36.3058 -10.2887 -10.2887 -9.8286 -9.8286 1.1858 1.1858 1.7326 1.7326 2.8844 2.8844 4.0056 4.0056 5.1727 5.1727 5.4466 5.4466 16.6664 16.6664 17.1579 17.1579 18.6211 18.6211 19.7093 19.7093 k = 0.7653-0.2711-0.7210 ( 3824 PWs) bands (ev): -36.3062 -36.3062 -10.3220 -10.3220 -9.8254 -9.8254 1.1971 1.1971 1.7254 1.7254 2.9448 2.9448 4.0623 4.0623 5.1578 5.1578 5.4529 5.4529 16.6225 16.6225 17.1952 17.1952 18.5974 18.5974 19.6628 19.6628 k = 0.7609-0.2642-0.7075 ( 3822 PWs) bands (ev): -36.3066 -36.3066 -10.3566 -10.3566 -9.8231 -9.8231 1.2122 1.2122 1.7214 1.7214 3.0048 3.0048 4.1196 4.1196 5.1424 5.1424 5.4591 5.4591 16.5812 16.5812 17.2346 17.2346 18.5746 18.5746 19.6148 19.6148 k = 0.7565-0.2573-0.6940 ( 3826 PWs) bands (ev): -36.3071 -36.3071 -10.3924 -10.3924 -9.8216 -9.8216 1.2311 1.2311 1.7206 1.7206 3.0643 3.0643 4.1773 4.1773 5.1266 5.1266 5.4652 5.4652 16.5424 16.5424 17.2757 17.2757 18.5529 18.5529 19.5659 19.5659 k = 0.7520-0.2503-0.6806 ( 3832 PWs) bands (ev): -36.3076 -36.3076 -10.4292 -10.4292 -9.8211 -9.8211 1.2537 1.2537 1.7230 1.7230 3.1231 3.1231 4.2352 4.2352 5.1107 5.1107 5.4713 5.4713 16.5062 16.5062 17.3180 17.3180 18.5323 18.5323 19.5168 19.5168 k = 0.7476-0.2434-0.6671 ( 3832 PWs) bands (ev): -36.3081 -36.3081 -10.4671 -10.4671 -9.8215 -9.8215 1.2799 1.2799 1.7287 1.7287 3.1809 3.1809 4.2933 4.2933 5.0948 5.0948 5.4773 5.4773 16.4726 16.4726 17.3609 17.3609 18.5133 18.5133 19.4682 19.4682 k = 0.7432-0.2364-0.6536 ( 3834 PWs) bands (ev): -36.3087 -36.3087 -10.5060 -10.5060 -9.8227 -9.8227 1.3096 1.3096 1.7378 1.7378 3.2378 3.2378 4.3514 4.3514 5.0791 5.0791 5.4832 5.4832 16.4416 16.4416 17.4036 17.4036 18.4959 18.4959 19.4211 19.4211 k = 0.7388-0.2295-0.6401 ( 3830 PWs) bands (ev): -36.3092 -36.3092 -10.5458 -10.5458 -9.8249 -9.8249 1.3427 1.3427 1.7503 1.7503 3.2934 3.2934 4.4095 4.4095 5.0638 5.0638 5.4890 5.4890 16.4131 16.4131 17.4449 17.4449 18.4808 18.4808 19.3763 19.3763 k = 0.7343-0.2225-0.6266 ( 3832 PWs) bands (ev): -36.3098 -36.3098 -10.5865 -10.5865 -9.8280 -9.8280 1.3792 1.3792 1.7661 1.7661 3.3476 3.3476 4.4673 4.4673 5.0490 5.0490 5.4948 5.4948 16.3871 16.3871 17.4836 17.4836 18.4686 18.4686 19.3348 19.3348 k = 0.7299-0.2156-0.6131 ( 3826 PWs) bands (ev): -36.3105 -36.3105 -10.6279 -10.6279 -9.8320 -9.8320 1.4189 1.4189 1.7854 1.7854 3.4002 3.4002 4.5249 4.5249 5.0351 5.0351 5.5005 5.5005 16.3636 16.3636 17.5179 17.5179 18.4602 18.4602 19.2977 19.2977 k = 0.7255-0.2086-0.5996 ( 3826 PWs) bands (ev): -36.3111 -36.3111 -10.6701 -10.6701 -9.8368 -9.8368 1.4616 1.4616 1.8080 1.8080 3.4511 3.4511 4.5820 4.5820 5.0221 5.0221 5.5062 5.5062 16.3426 16.3426 17.5458 17.5458 18.4569 18.4569 19.2660 19.2660 k = 0.7211-0.2017-0.5861 ( 3830 PWs) bands (ev): -36.3118 -36.3118 -10.7129 -10.7129 -9.8425 -9.8425 1.5072 1.5072 1.8340 1.8340 3.5001 3.5001 4.6386 4.6386 5.0105 5.0105 5.5120 5.5120 16.3239 16.3239 17.5650 17.5650 18.4602 18.4602 19.2407 19.2407 k = 0.7167-0.1947-0.5726 ( 3836 PWs) bands (ev): -36.3125 -36.3125 -10.7563 -10.7563 -9.8490 -9.8490 1.5555 1.5555 1.8633 1.8633 3.5470 3.5470 4.6944 4.6944 5.0004 5.0004 5.5177 5.5177 16.3076 16.3076 17.5735 17.5735 18.4716 18.4716 19.2225 19.2225 k = 0.7122-0.1878-0.5591 ( 3838 PWs) bands (ev): -36.3133 -36.3133 -10.8001 -10.8001 -9.8563 -9.8563 1.6063 1.6063 1.8959 1.8959 3.5917 3.5917 4.7495 4.7495 4.9920 4.9920 5.5236 5.5236 16.2936 16.2936 17.5695 17.5695 18.4920 18.4920 19.2122 19.2122 k = 0.7078-0.1808-0.5456 ( 3840 PWs) bands (ev): -36.3140 -36.3140 -10.8444 -10.8444 -9.8644 -9.8644 1.6594 1.6594 1.9317 1.9317 3.6341 3.6341 4.8037 4.8037 4.9856 4.9856 5.5296 5.5296 16.2816 16.2816 17.5525 17.5525 18.5219 18.5219 19.2105 19.2105 k = 0.7034-0.1739-0.5321 ( 3834 PWs) bands (ev): -36.3148 -36.3148 -10.8890 -10.8890 -9.8732 -9.8732 1.7145 1.7145 1.9707 1.9707 3.6741 3.6741 4.8567 4.8567 4.9815 4.9815 5.5358 5.5358 16.2718 16.2718 17.5225 17.5225 18.5606 18.5606 19.2177 19.2177 k = 0.6990-0.1670-0.5186 ( 3844 PWs) bands (ev): -36.3156 -36.3156 -10.9338 -10.9338 -9.8827 -9.8827 1.7714 1.7714 2.0129 2.0129 3.7118 3.7118 4.9085 4.9085 4.9798 4.9798 5.5423 5.5423 16.2638 16.2638 17.4805 17.4805 18.6071 18.6071 19.2341 19.2341 k = 0.6945-0.1600-0.5051 ( 3842 PWs) bands (ev): -36.3164 -36.3164 -10.9789 -10.9789 -9.8929 -9.8929 1.8298 1.8298 2.0581 2.0581 3.7471 3.7471 4.9583 4.9583 4.9811 4.9811 5.5492 5.5492 16.2576 16.2576 17.4279 17.4279 18.6599 18.6599 19.2600 19.2600 k = 0.6901-0.1531-0.4916 ( 3838 PWs) bands (ev): -36.3173 -36.3173 -11.0240 -11.0240 -9.9037 -9.9037 1.8893 1.8893 2.1064 2.1064 3.7801 3.7801 4.9827 4.9827 5.0090 5.0090 5.5565 5.5565 16.2530 16.2530 17.3660 17.3660 18.7175 18.7175 19.2950 19.2950 k = 0.6857-0.1461-0.4781 ( 3834 PWs) bands (ev): -36.3181 -36.3181 -11.0691 -11.0691 -9.9151 -9.9151 1.9497 1.9497 2.1574 2.1574 3.8112 3.8112 4.9892 4.9892 5.0556 5.0556 5.5646 5.5646 16.2498 16.2498 17.2964 17.2964 18.7786 18.7786 19.2641 19.2641 k = 0.6813-0.1392-0.4646 ( 3832 PWs) bands (ev): -36.3190 -36.3190 -11.1142 -11.1142 -9.9270 -9.9270 2.0105 2.0105 2.2113 2.2113 3.8406 3.8406 4.9980 4.9980 5.1005 5.1005 5.5734 5.5734 16.2477 16.2477 17.2201 17.2201 18.8421 18.8421 19.1979 19.1979 k = 0.6769-0.1322-0.4511 ( 3832 PWs) bands (ev): -36.3198 -36.3198 -11.1592 -11.1592 -9.9394 -9.9394 2.0713 2.0713 2.2679 2.2679 3.8687 3.8687 5.0093 5.0093 5.1432 5.1432 5.5833 5.5833 16.2466 16.2466 17.1384 17.1384 18.9075 18.9075 19.1324 19.1324 k = 0.6724-0.1253-0.4376 ( 3832 PWs) bands (ev): -36.3207 -36.3207 -11.2040 -11.2040 -9.9523 -9.9523 2.1317 2.1317 2.3271 2.3271 3.8959 3.8959 5.0230 5.0230 5.1834 5.1834 5.5945 5.5945 16.2461 16.2461 17.0520 17.0520 18.9744 18.9744 19.0681 19.0681 k = 0.6680-0.1183-0.4241 ( 3836 PWs) bands (ev): -36.3216 -36.3216 -11.2485 -11.2485 -9.9656 -9.9656 2.1911 2.1911 2.3888 2.3888 3.9229 3.9229 5.0389 5.0389 5.2206 5.2206 5.6072 5.6072 16.2459 16.2459 16.9617 16.9617 19.0049 19.0049 19.0432 19.0432 k = 0.6636-0.1114-0.4106 ( 3840 PWs) bands (ev): -36.3225 -36.3225 -11.2927 -11.2927 -9.9793 -9.9793 2.2490 2.2490 2.4528 2.4528 3.9503 3.9503 5.0569 5.0569 5.2546 5.2546 5.6217 5.6217 16.2456 16.2456 16.8682 16.8682 18.9442 18.9442 19.1133 19.1133 k = 0.6592-0.1044-0.3971 ( 3834 PWs) bands (ev): -36.3234 -36.3234 -11.3365 -11.3365 -9.9933 -9.9933 2.3050 2.3050 2.5190 2.5190 3.9787 3.9787 5.0768 5.0768 5.2853 5.2853 5.6382 5.6382 16.2450 16.2450 16.7719 16.7719 18.8857 18.8857 19.1855 19.1855 k = 0.6548-0.0975-0.3836 ( 3834 PWs) bands (ev): -36.3244 -36.3244 -11.3798 -11.3798 -10.0075 -10.0075 2.3584 2.3584 2.5873 2.5873 4.0087 4.0087 5.0982 5.0982 5.3123 5.3123 5.6567 5.6567 16.2435 16.2435 16.6732 16.6732 18.8298 18.8298 19.2602 19.2602 k = 0.6503-0.0905-0.3701 ( 3832 PWs) bands (ev): -36.3253 -36.3253 -11.4226 -11.4226 -10.0219 -10.0219 2.4088 2.4088 2.6576 2.6576 4.0411 4.0411 5.1209 5.1209 5.3358 5.3358 5.6773 5.6773 16.2408 16.2408 16.5726 16.5726 18.7772 18.7772 19.3375 19.3375 k = 0.6459-0.0836-0.3566 ( 3838 PWs) bands (ev): -36.3262 -36.3262 -11.4648 -11.4648 -10.0366 -10.0366 2.4557 2.4557 2.7296 2.7296 4.0764 4.0764 5.1447 5.1447 5.3559 5.3559 5.6998 5.6998 16.2364 16.2364 16.4703 16.4703 18.7282 18.7282 19.4177 19.4177 k = 0.6415-0.0767-0.3431 ( 3840 PWs) bands (ev): -36.3271 -36.3271 -11.5063 -11.5063 -10.0513 -10.0513 2.4986 2.4986 2.8033 2.8033 4.1152 4.1152 5.1695 5.1695 5.3728 5.3728 5.7239 5.7239 16.2299 16.2299 16.3668 16.3668 18.6832 18.6832 19.5011 19.5011 k = 0.6371-0.0697-0.3296 ( 3838 PWs) bands (ev): -36.3280 -36.3280 -11.5471 -11.5471 -10.0661 -10.0661 2.5373 2.5373 2.8785 2.8785 4.1578 4.1578 5.1949 5.1949 5.3869 5.3869 5.7492 5.7492 16.2207 16.2207 16.2623 16.2623 18.6426 18.6426 19.5877 19.5877 k = 0.6326-0.0628-0.3161 ( 3838 PWs) bands (ev): -36.3289 -36.3289 -11.5872 -11.5872 -10.0810 -10.0810 2.5714 2.5714 2.9549 2.9549 4.2045 4.2045 5.2208 5.2208 5.3985 5.3985 5.7753 5.7753 16.1563 16.1563 16.2092 16.2092 18.6069 18.6069 19.6777 19.6777 k = 0.6282-0.0558-0.3026 ( 3840 PWs) bands (ev): -36.3298 -36.3298 -11.6264 -11.6264 -10.0958 -10.0958 2.6011 2.6011 3.0325 3.0325 4.2553 4.2553 5.2472 5.2472 5.4081 5.4081 5.8019 5.8019 16.0503 16.0503 16.1939 16.1939 18.5764 18.5764 19.7711 19.7711 k = 0.6238-0.0489-0.2891 ( 3836 PWs) bands (ev): -36.3307 -36.3307 -11.6648 -11.6648 -10.1106 -10.1106 2.6261 2.6261 3.1111 3.1111 4.3102 4.3102 5.2738 5.2738 5.4160 5.4160 5.8285 5.8285 15.9439 15.9439 16.1751 16.1751 18.5512 18.5512 19.8679 19.8679 k = 0.6194-0.0419-0.2756 ( 3840 PWs) bands (ev): -36.3316 -36.3316 -11.7022 -11.7022 -10.1253 -10.1253 2.6469 2.6469 3.1903 3.1903 4.3690 4.3690 5.3006 5.3006 5.4224 5.4224 5.8549 5.8549 15.8372 15.8372 16.1527 16.1527 18.5315 18.5315 19.9681 19.9681 k = 0.6150-0.0350-0.2621 ( 3838 PWs) bands (ev): -36.3325 -36.3325 -11.7387 -11.7387 -10.1398 -10.1398 2.6635 2.6635 3.2701 3.2701 4.4312 4.4312 5.3277 5.3277 5.4278 5.4278 5.8809 5.8809 15.7306 15.7306 16.1264 16.1264 18.5174 18.5174 20.0716 20.0716 k = 0.6105-0.0280-0.2486 ( 3840 PWs) bands (ev): -36.3333 -36.3333 -11.7741 -11.7741 -10.1542 -10.1542 2.6762 2.6762 3.3503 3.3503 4.4964 4.4964 5.3549 5.3549 5.4322 5.4322 5.9062 5.9062 15.6242 15.6242 16.0963 16.0963 18.5089 18.5089 20.1784 20.1784 k = 0.6061-0.0211-0.2351 ( 3842 PWs) bands (ev): -36.3342 -36.3342 -11.8085 -11.8085 -10.1683 -10.1683 2.6855 2.6855 3.4306 3.4306 4.5639 4.5639 5.3822 5.3822 5.4359 5.4359 5.9307 5.9307 15.5183 15.5183 16.0625 16.0625 18.5058 18.5058 20.2882 20.2882 k = 0.6017-0.0141-0.2216 ( 3842 PWs) bands (ev): -36.3350 -36.3350 -11.8418 -11.8418 -10.1821 -10.1821 2.6918 2.6918 3.5107 3.5107 4.6331 4.6331 5.4092 5.4092 5.4396 5.4396 5.9542 5.9542 15.4132 15.4132 16.0252 16.0252 18.5079 18.5079 20.4009 20.4009 k = 0.5973-0.0072-0.2081 ( 3844 PWs) bands (ev): -36.3358 -36.3358 -11.8739 -11.8739 -10.1957 -10.1957 2.6954 2.6954 3.5906 3.5906 4.7033 4.7033 5.4319 5.4319 5.4477 5.4477 5.9767 5.9767 15.3089 15.3089 15.9847 15.9847 18.5147 18.5147 20.5162 20.5162 k = 0.5929-0.0002-0.1946 ( 3834 PWs) bands (ev): -36.3366 -36.3366 -11.9049 -11.9049 -10.2089 -10.2089 2.6966 2.6966 3.6698 3.6698 4.7735 4.7735 5.4391 5.4391 5.4716 5.4716 5.9981 5.9981 15.2059 15.2059 15.9414 15.9414 18.5260 18.5260 20.6339 20.6339 k = 0.5884 0.0067-0.1811 ( 3838 PWs) bands (ev): -36.3373 -36.3373 -11.9347 -11.9347 -10.2217 -10.2217 2.6959 2.6959 3.7482 3.7482 4.8430 4.8430 5.4413 5.4413 5.5011 5.5011 6.0183 6.0183 15.1043 15.1043 15.8957 15.8957 18.5412 18.5412 20.7535 20.7535 k = 0.5840 0.0137-0.1676 ( 3840 PWs) bands (ev): -36.3381 -36.3381 -11.9632 -11.9632 -10.2341 -10.2341 2.6936 2.6936 3.8256 3.8256 4.9108 4.9108 5.4424 5.4424 5.5327 5.5327 6.0373 6.0373 15.0044 15.0044 15.8480 15.8480 18.5599 18.5599 20.8745 20.8745 k = 0.5796 0.0206-0.1541 ( 3844 PWs) bands (ev): -36.3388 -36.3388 -11.9905 -11.9905 -10.2461 -10.2461 2.6900 2.6900 3.9015 3.9015 4.9760 4.9760 5.4432 5.4432 5.5663 5.5663 6.0550 6.0550 14.9065 14.9065 15.7988 15.7988 18.5814 18.5814 20.9964 20.9964 k = 0.5752 0.0275-0.1406 ( 3846 PWs) bands (ev): -36.3394 -36.3394 -12.0164 -12.0164 -10.2576 -10.2576 2.6853 2.6853 3.9759 3.9759 5.0377 5.0377 5.4435 5.4435 5.6021 5.6021 6.0715 6.0715 14.8110 14.8110 15.7487 15.7487 18.6054 18.6054 21.1182 21.1182 k = 0.5707 0.0345-0.1271 ( 3840 PWs) bands (ev): -36.3401 -36.3401 -12.0410 -12.0410 -10.2685 -10.2685 2.6799 2.6799 4.0484 4.0484 5.0950 5.0950 5.4436 5.4436 5.6403 5.6403 6.0867 6.0867 14.7180 14.7180 15.6982 15.6982 18.6312 18.6312 21.2388 21.2388 k = 0.5663 0.0414-0.1136 ( 3844 PWs) bands (ev): -36.3407 -36.3407 -12.0642 -12.0642 -10.2790 -10.2790 2.6739 2.6739 4.1187 4.1187 5.1473 5.1473 5.4435 5.4435 5.6812 5.6812 6.1007 6.1007 14.6281 14.6281 15.6478 15.6478 18.6583 18.6583 21.3566 21.3566 k = 0.5619 0.0484-0.1001 ( 3844 PWs) bands (ev): -36.3413 -36.3413 -12.0861 -12.0861 -10.2889 -10.2889 2.6676 2.6676 4.1865 4.1865 5.1941 5.1941 5.4432 5.4432 5.7246 5.7246 6.1134 6.1134 14.5414 14.5414 15.5980 15.5980 18.6862 18.6862 21.4692 21.4692 k = 0.5575 0.0553-0.0866 ( 3842 PWs) bands (ev): -36.3418 -36.3418 -12.1065 -12.1065 -10.2982 -10.2982 2.6610 2.6610 4.2515 4.2515 5.2354 5.2354 5.4428 5.4428 5.7700 5.7700 6.1249 6.1249 14.4584 14.4584 15.5492 15.5492 18.7144 18.7144 21.5738 21.5738 k = 0.5531 0.0623-0.0731 ( 3836 PWs) bands (ev): -36.3423 -36.3423 -12.1255 -12.1255 -10.3070 -10.3070 2.6545 2.6545 4.3134 4.3134 5.2713 5.2713 5.4423 5.4423 5.8168 5.8168 6.1353 6.1353 14.3795 14.3795 15.5020 15.5020 18.7425 18.7425 21.6674 21.6674 k = 0.5486 0.0692-0.0596 ( 3840 PWs) bands (ev): -36.3428 -36.3428 -12.1431 -12.1431 -10.3151 -10.3151 2.6480 2.6480 4.3719 4.3719 5.3023 5.3023 5.4417 5.4417 5.8641 5.8641 6.1445 6.1445 14.3050 14.3050 15.4567 15.4567 18.7700 18.7700 21.7479 21.7479 k = 0.5442 0.0762-0.0461 ( 3836 PWs) bands (ev): -36.3432 -36.3432 -12.1592 -12.1592 -10.3225 -10.3225 2.6417 2.6417 4.4268 4.4268 5.3286 5.3286 5.4410 5.4410 5.9110 5.9110 6.1526 6.1526 14.2353 14.2353 15.4139 15.4139 18.7965 18.7965 21.8153 21.8153 k = 0.5398 0.0831-0.0326 ( 3834 PWs) bands (ev): -36.3436 -36.3436 -12.1738 -12.1738 -10.3293 -10.3293 2.6358 2.6358 4.4776 4.4776 5.3509 5.3509 5.4404 5.4404 5.9565 5.9565 6.1597 6.1597 14.1708 14.1708 15.3738 15.3738 18.8216 18.8216 21.8709 21.8709 k = 0.5354 0.0901-0.0191 ( 3836 PWs) bands (ev): -36.3440 -36.3440 -12.1869 -12.1869 -10.3354 -10.3354 2.6303 2.6303 4.5242 4.5242 5.3696 5.3696 5.4398 5.4398 5.9997 5.9997 6.1658 6.1658 14.1119 14.1119 15.3370 15.3370 18.8450 18.8450 21.9167 21.9167 k = 0.5310 0.0970-0.0056 ( 3836 PWs) bands (ev): -36.3443 -36.3443 -12.1985 -12.1985 -10.3409 -10.3409 2.6252 2.6252 4.5661 4.5661 5.3850 5.3850 5.4394 5.4394 6.0396 6.0396 6.1712 6.1712 14.0589 14.0589 15.3036 15.3036 18.8664 18.8664 21.9544 21.9544 k = 0.5265 0.1040 0.0079 ( 3842 PWs) bands (ev): -36.3446 -36.3446 -12.2086 -12.2086 -10.3456 -10.3456 2.6207 2.6207 4.6031 4.6031 5.3974 5.3974 5.4393 5.4393 6.0755 6.0755 6.1758 6.1758 14.0121 14.0121 15.2741 15.2741 18.8855 18.8855 21.9853 21.9853 k = 0.5221 0.1109 0.0213 ( 3838 PWs) bands (ev): -36.3448 -36.3448 -12.2171 -12.2171 -10.3496 -10.3496 2.6168 2.6168 4.6350 4.6350 5.4070 5.4070 5.4396 5.4396 6.1066 6.1066 6.1799 6.1799 13.9720 13.9720 15.2486 15.2486 18.9021 18.9021 22.0104 22.0104 k = 0.5177 0.1178 0.0348 ( 3834 PWs) bands (ev): -36.3450 -36.3450 -12.2241 -12.2241 -10.3530 -10.3530 2.6136 2.6136 4.6614 4.6614 5.4140 5.4140 5.4404 5.4404 6.1322 6.1322 6.1837 6.1837 13.9387 13.9387 15.2275 15.2275 18.9159 18.9159 22.0302 22.0302 k = 0.5133 0.1248 0.0483 ( 3830 PWs) bands (ev): -36.3452 -36.3452 -12.2296 -12.2296 -10.3555 -10.3555 2.6110 2.6110 4.6823 4.6823 5.4185 5.4185 5.4418 5.4418 6.1514 6.1514 6.1877 6.1877 13.9126 13.9126 15.2108 15.2108 18.9268 18.9268 22.0453 22.0453 k = 0.5088 0.1317 0.0618 ( 3832 PWs) bands (ev): -36.3453 -36.3453 -12.2334 -12.2334 -10.3574 -10.3574 2.6092 2.6092 4.6973 4.6973 5.4210 5.4210 5.4433 5.4433 6.1637 6.1637 6.1922 6.1922 13.8938 13.8938 15.1988 15.1988 18.9347 18.9347 22.0558 22.0558 k = 0.5044 0.1387 0.0753 ( 3830 PWs) bands (ev): -36.3453 -36.3453 -12.2358 -12.2358 -10.3585 -10.3585 2.6080 2.6080 4.7063 4.7063 5.4223 5.4223 5.4444 5.4444 6.1699 6.1699 6.1963 6.1963 13.8824 13.8824 15.1915 15.1915 18.9395 18.9395 22.0621 22.0621 k = 0.5000 0.1456 0.0888 ( 3832 PWs) bands (ev): -36.3454 -36.3454 -12.2366 -12.2366 -10.3589 -10.3589 2.6077 2.6077 4.7094 4.7094 5.4226 5.4226 5.4448 5.4448 6.1716 6.1716 6.1979 6.1979 13.8786 13.8786 15.1891 15.1891 18.9411 18.9411 22.0642 22.0642 k = 0.5000 0.1456 0.0888 ( 3832 PWs) bands (ev): -36.3454 -36.3454 -12.2366 -12.2366 -10.3589 -10.3589 2.6077 2.6077 4.7094 4.7094 5.4226 5.4226 5.4448 5.4448 6.1716 6.1716 6.1979 6.1979 13.8786 13.8786 15.1891 15.1891 18.9411 18.9411 22.0642 22.0642 k = 0.4853 0.1413 0.0862 ( 3829 PWs) bands (ev): -36.3454 -36.3454 -12.2368 -12.2368 -10.3585 -10.3585 2.6040 2.6040 4.7138 4.7138 5.4225 5.4225 5.4447 5.4447 6.1718 6.1718 6.1980 6.1980 13.8763 13.8763 15.1882 15.1882 18.9442 18.9442 22.0669 22.0669 k = 0.4706 0.1371 0.0836 ( 3835 PWs) bands (ev): -36.3454 -36.3454 -12.2374 -12.2374 -10.3574 -10.3574 2.5930 2.5930 4.7270 4.7270 5.4222 5.4222 5.4444 5.4444 6.1722 6.1722 6.1985 6.1985 13.8694 13.8694 15.1856 15.1856 18.9535 18.9535 22.0750 22.0750 k = 0.4559 0.1328 0.0810 ( 3836 PWs) bands (ev): -36.3454 -36.3454 -12.2383 -12.2383 -10.3555 -10.3555 2.5750 2.5750 4.7486 4.7486 5.4217 5.4217 5.4439 5.4439 6.1729 6.1729 6.1991 6.1991 13.8581 13.8581 15.1813 15.1813 18.9690 18.9690 22.0884 22.0884 k = 0.4412 0.1285 0.0784 ( 3842 PWs) bands (ev): -36.3454 -36.3454 -12.2397 -12.2397 -10.3530 -10.3530 2.5507 2.5507 4.7780 4.7780 5.4210 5.4210 5.4432 5.4432 6.1738 6.1738 6.2001 6.2001 13.8423 13.8423 15.1753 15.1753 18.9903 18.9903 22.1072 22.1072 k = 0.4265 0.1242 0.0758 ( 3842 PWs) bands (ev): -36.3454 -36.3454 -12.2414 -12.2414 -10.3497 -10.3497 2.5206 2.5206 4.8146 4.8146 5.4201 5.4201 5.4423 5.4423 6.1750 6.1750 6.2013 6.2013 13.8224 13.8224 15.1677 15.1677 19.0174 19.0174 22.1312 22.1312 k = 0.4118 0.1199 0.0732 ( 3836 PWs) bands (ev): -36.3454 -36.3454 -12.2435 -12.2435 -10.3458 -10.3458 2.4854 2.4854 4.8576 4.8576 5.4191 5.4191 5.4412 5.4412 6.1765 6.1765 6.2027 6.2027 13.7987 13.7987 15.1585 15.1585 19.0500 19.0500 22.1604 22.1604 k = 0.3971 0.1156 0.0705 ( 3827 PWs) bands (ev): -36.3454 -36.3454 -12.2459 -12.2459 -10.3413 -10.3413 2.4461 2.4461 4.9062 4.9062 5.4178 5.4178 5.4400 5.4400 6.1781 6.1781 6.2044 6.2044 13.7712 13.7712 15.1477 15.1477 19.0877 19.0877 22.1947 22.1947 k = 0.3824 0.1114 0.0679 ( 3827 PWs) bands (ev): -36.3454 -36.3454 -12.2486 -12.2486 -10.3362 -10.3362 2.4033 2.4033 4.9595 4.9595 5.4164 5.4164 5.4386 5.4386 6.1800 6.1800 6.2063 6.2063 13.7405 13.7405 15.1356 15.1356 19.1302 19.1302 22.2341 22.2341 k = 0.3676 0.1071 0.0653 ( 3842 PWs) bands (ev): -36.3454 -36.3454 -12.2516 -12.2516 -10.3306 -10.3306 2.3578 2.3578 5.0167 5.0167 5.4149 5.4149 5.4371 5.4371 6.1821 6.1821 6.2083 6.2083 13.7067 13.7067 15.1220 15.1220 19.1771 19.1771 22.2783 22.2783 k = 0.3529 0.1028 0.0627 ( 3860 PWs) bands (ev): -36.3454 -36.3454 -12.2548 -12.2548 -10.3244 -10.3244 2.3102 2.3102 5.0771 5.0771 5.4132 5.4132 5.4354 5.4354 6.1844 6.1844 6.2106 6.2106 13.6703 13.6703 15.1073 15.1073 19.2280 19.2280 22.3274 22.3274 k = 0.3382 0.0985 0.0601 ( 3860 PWs) bands (ev): -36.3454 -36.3454 -12.2582 -12.2582 -10.3179 -10.3179 2.2612 2.2612 5.1400 5.1400 5.4115 5.4115 5.4336 5.4336 6.1868 6.1868 6.2130 6.2130 13.6316 13.6316 15.0915 15.0915 19.2823 19.2823 22.3811 22.3811 k = 0.3235 0.0942 0.0575 ( 3860 PWs) bands (ev): -36.3454 -36.3454 -12.2619 -12.2619 -10.3109 -10.3109 2.2114 2.2114 5.2047 5.2047 5.4096 5.4096 5.4317 5.4317 6.1893 6.1893 6.2155 6.2155 13.5909 13.5909 15.0747 15.0747 19.3396 19.3396 22.4216 22.4216 k = 0.3088 0.0899 0.0549 ( 3860 PWs) bands (ev): -36.3454 -36.3454 -12.2656 -12.2656 -10.3037 -10.3037 2.1612 2.1612 5.2707 5.2707 5.4077 5.4077 5.4298 5.4298 6.1920 6.1920 6.2182 6.2182 13.5487 13.5487 15.0572 15.0572 19.3994 19.3994 22.3756 22.3756 k = 0.2941 0.0857 0.0523 ( 3872 PWs) bands (ev): -36.3455 -36.3455 -12.2695 -12.2695 -10.2962 -10.2962 2.1110 2.1110 5.3373 5.3373 5.4057 5.4057 5.4278 5.4278 6.1947 6.1947 6.2209 6.2209 13.5053 13.5053 15.0391 15.0391 19.4611 19.4611 22.3307 22.3307 k = 0.2794 0.0814 0.0496 ( 3872 PWs) bands (ev): -36.3455 -36.3455 -12.2734 -12.2734 -10.2886 -10.2886 2.0614 2.0614 5.4016 5.4016 5.4062 5.4062 5.4258 5.4258 6.1975 6.1975 6.2237 6.2237 13.4610 13.4610 15.0205 15.0205 19.5241 19.5241 22.2874 22.2875 k = 0.2647 0.0771 0.0470 ( 3872 PWs) bands (ev): -36.3455 -36.3455 -12.2774 -12.2774 -10.2808 -10.2808 2.0127 2.0127 5.4015 5.4015 5.4237 5.4237 5.4707 5.4707 6.2003 6.2003 6.2265 6.2265 13.4163 13.4163 15.0016 15.0016 19.5880 19.5880 22.2458 22.2460 k = 0.2500 0.0728 0.0444 ( 3875 PWs) bands (ev): -36.3455 -36.3455 -12.2814 -12.2814 -10.2730 -10.2730 1.9651 1.9651 5.3994 5.3994 5.4216 5.4216 5.5364 5.5364 6.2032 6.2032 6.2293 6.2293 13.3714 13.3714 14.9826 14.9826 19.6522 19.6522 22.2060 22.2062 k = 0.2353 0.0685 0.0418 ( 3875 PWs) bands (ev): -36.3455 -36.3455 -12.2854 -12.2854 -10.2652 -10.2652 1.9190 1.9190 5.3974 5.3974 5.4196 5.4196 5.6008 5.6008 6.2060 6.2060 6.2321 6.2321 13.3268 13.3268 14.9637 14.9637 19.7161 19.7161 22.1681 22.1681 k = 0.2206 0.0642 0.0392 ( 3869 PWs) bands (ev): -36.3455 -36.3455 -12.2893 -12.2893 -10.2575 -10.2575 1.8746 1.8746 5.3954 5.3954 5.4176 5.4176 5.6637 5.6637 6.2089 6.2089 6.2349 6.2349 13.2827 13.2827 14.9451 14.9451 19.7791 19.7791 22.1321 22.1321 k = 0.2059 0.0600 0.0366 ( 3857 PWs) bands (ev): -36.3455 -36.3455 -12.2931 -12.2931 -10.2499 -10.2499 1.8322 1.8322 5.3934 5.3934 5.4156 5.4156 5.7246 5.7246 6.2116 6.2116 6.2376 6.2376 13.2395 13.2395 14.9268 14.9268 19.8408 19.8408 22.0981 22.0981 k = 0.1912 0.0557 0.0340 ( 3863 PWs) bands (ev): -36.3455 -36.3455 -12.2968 -12.2968 -10.2426 -10.2426 1.7918 1.7918 5.3915 5.3915 5.4137 5.4137 5.7831 5.7831 6.2143 6.2143 6.2402 6.2402 13.1976 13.1976 14.9091 14.9091 19.9006 19.9006 22.0663 22.0663 k = 0.1765 0.0514 0.0314 ( 3863 PWs) bands (ev): -36.3455 -36.3455 -12.3004 -12.3004 -10.2355 -10.2355 1.7538 1.7538 5.3897 5.3897 5.4118 5.4118 5.8388 5.8388 6.2170 6.2170 6.2428 6.2428 13.1572 13.1572 14.8921 14.8921 19.9580 19.9580 22.0366 22.0366 k = 0.1618 0.0471 0.0287 ( 3866 PWs) bands (ev): -36.3455 -36.3455 -12.3038 -12.3038 -10.2288 -10.2288 1.7183 1.7183 5.3880 5.3880 5.4101 5.4101 5.8915 5.8915 6.2195 6.2195 6.2452 6.2452 13.1187 13.1187 14.8760 14.8760 20.0125 20.0125 22.0091 22.0091 k = 0.1471 0.0428 0.0261 ( 3860 PWs) bands (ev): -36.3455 -36.3455 -12.3069 -12.3069 -10.2224 -10.2224 1.6854 1.6854 5.3863 5.3863 5.4085 5.4085 5.9407 5.9407 6.2219 6.2219 6.2474 6.2474 13.0824 13.0824 14.8608 14.8608 20.0638 20.0638 21.9839 21.9839 k = 0.1324 0.0385 0.0235 ( 3854 PWs) bands (ev): -36.3455 -36.3455 -12.3099 -12.3099 -10.2165 -10.2165 1.6553 1.6553 5.3848 5.3848 5.4070 5.4070 5.9863 5.9863 6.2242 6.2242 6.2495 6.2495 13.0486 13.0486 14.8468 14.8468 20.1114 20.1114 21.9609 21.9609 k = 0.1176 0.0343 0.0209 ( 3854 PWs) bands (ev): -36.3455 -36.3455 -12.3126 -12.3126 -10.2111 -10.2111 1.6280 1.6280 5.3834 5.3834 5.4056 5.4056 6.0278 6.0278 6.2264 6.2264 6.2515 6.2515 13.0175 13.0175 14.8339 14.8339 20.1550 20.1550 21.9403 21.9403 k = 0.1029 0.0300 0.0183 ( 3854 PWs) bands (ev): -36.3455 -36.3455 -12.3150 -12.3150 -10.2062 -10.2062 1.6038 1.6038 5.3822 5.3822 5.4043 5.4043 6.0650 6.0650 6.2284 6.2284 6.2532 6.2532 12.9893 12.9893 14.8223 14.8223 20.1942 20.1942 21.9221 21.9221 k = 0.0882 0.0257 0.0157 ( 3854 PWs) bands (ev): -36.3455 -36.3455 -12.3171 -12.3171 -10.2018 -10.2018 1.5826 1.5826 5.3811 5.3811 5.4032 5.4032 6.0976 6.0976 6.2304 6.2304 6.2547 6.2547 12.9645 12.9645 14.8121 14.8121 20.2287 20.2287 21.9062 21.9062 k = 0.0735 0.0214 0.0131 ( 3854 PWs) bands (ev): -36.3455 -36.3455 -12.3189 -12.3189 -10.1981 -10.1981 1.5645 1.5645 5.3802 5.3802 5.4023 5.4023 6.1254 6.1254 6.2323 6.2323 6.2560 6.2560 12.9430 12.9430 14.8033 14.8033 20.2583 20.2583 21.8928 21.8928 k = 0.0588 0.0171 0.0105 ( 3854 PWs) bands (ev): -36.3455 -36.3455 -12.3204 -12.3204 -10.1950 -10.1950 1.5496 1.5496 5.3794 5.3794 5.4015 5.4015 6.1481 6.1481 6.2341 6.2341 6.2571 6.2571 12.9252 12.9252 14.7960 14.7960 20.2829 20.2829 21.8817 21.8817 k = 0.0441 0.0128 0.0078 ( 3860 PWs) bands (ev): -36.3455 -36.3455 -12.3216 -12.3216 -10.1926 -10.1926 1.5380 1.5380 5.3788 5.3788 5.4009 5.4009 6.1656 6.1656 6.2359 6.2359 6.2580 6.2580 12.9112 12.9112 14.7903 14.7903 20.3021 20.3021 21.8731 21.8731 k = 0.0294 0.0086 0.0052 ( 3863 PWs) bands (ev): -36.3455 -36.3455 -12.3225 -12.3225 -10.1908 -10.1908 1.5297 1.5297 5.3783 5.3783 5.4004 5.4004 6.1779 6.1779 6.2375 6.2375 6.2586 6.2586 12.9011 12.9011 14.7862 14.7862 20.3160 20.3160 21.8670 21.8670 k = 0.0147 0.0043 0.0026 ( 3869 PWs) bands (ev): -36.3455 -36.3455 -12.3230 -12.3230 -10.1898 -10.1898 1.5246 1.5246 5.3781 5.3781 5.4002 5.4002 6.1851 6.1851 6.2387 6.2387 6.2590 6.2590 12.8950 12.8950 14.7838 14.7838 20.3243 20.3243 21.8633 21.8633 k = 0.0000 0.0000 0.0000 ( 3863 PWs) bands (ev): -36.3455 -36.3455 -12.3232 -12.3232 -10.1894 -10.1894 1.5230 1.5230 5.3780 5.3780 5.4001 5.4001 6.1874 6.1874 6.2391 6.2391 6.2591 6.2591 12.8930 12.8930 14.7829 14.7829 20.3271 20.3271 21.8621 21.8621 k = 0.0000 0.0000 0.0000 ( 3863 PWs) bands (ev): -36.3455 -36.3455 -12.3232 -12.3232 -10.1894 -10.1894 1.5230 1.5230 5.3780 5.3780 5.4001 5.4001 6.1874 6.1874 6.2391 6.2391 6.2591 6.2591 12.8930 12.8930 14.7829 14.7829 20.3271 20.3271 21.8621 21.8621 k = 0.0045-0.0070-0.0136 ( 3863 PWs) bands (ev): -36.3455 -36.3455 -12.3224 -12.3224 -10.1891 -10.1891 1.5236 1.5236 5.3746 5.3746 5.3972 5.3972 6.1891 6.1891 6.2375 6.2375 6.2572 6.2572 12.8963 12.8963 14.7863 14.7863 20.3266 20.3266 21.8602 21.8602 k = 0.0089-0.0140-0.0272 ( 3861 PWs) bands (ev): -36.3454 -36.3454 -12.3201 -12.3201 -10.1879 -10.1879 1.5254 1.5254 5.3621 5.3621 5.3910 5.3910 6.1930 6.1930 6.2322 6.2322 6.2527 6.2527 12.9062 12.9062 14.7963 14.7963 20.3251 20.3251 21.8508 21.8508 k = 0.0134-0.0210-0.0408 ( 3855 PWs) bands (ev): -36.3453 -36.3453 -12.3162 -12.3162 -10.1860 -10.1860 1.5284 1.5284 5.3378 5.3378 5.3849 5.3849 6.1942 6.1942 6.2249 6.2249 6.2485 6.2485 12.9227 12.9227 14.8129 14.8129 20.3226 20.3226 21.8300 21.8300 k = 0.0178-0.0280-0.0544 ( 3853 PWs) bands (ev): -36.3452 -36.3452 -12.3108 -12.3108 -10.1834 -10.1834 1.5326 1.5326 5.3030 5.3030 5.3784 5.3784 6.1804 6.1804 6.2253 6.2253 6.2465 6.2465 12.9455 12.9455 14.8361 14.8361 20.3191 20.3191 21.7989 21.7989 k = 0.0223-0.0350-0.0680 ( 3855 PWs) bands (ev): -36.3450 -36.3450 -12.3038 -12.3038 -10.1800 -10.1800 1.5379 1.5379 5.2593 5.2593 5.3708 5.3708 6.1527 6.1527 6.2280 6.2280 6.2506 6.2506 12.9745 12.9745 14.8656 14.8656 20.3146 20.3146 21.7590 21.7590 k = 0.0267-0.0420-0.0816 ( 3855 PWs) bands (ev): -36.3447 -36.3447 -12.2953 -12.2953 -10.1759 -10.1759 1.5445 1.5445 5.2081 5.2081 5.3617 5.3617 6.1165 6.1165 6.2254 6.2254 6.2622 6.2622 13.0093 13.0093 14.9014 14.9014 20.3091 20.3091 21.7114 21.7114 k = 0.0312-0.0490-0.0952 ( 3857 PWs) bands (ev): -36.3445 -36.3445 -12.2853 -12.2853 -10.1711 -10.1711 1.5522 1.5522 5.1504 5.1504 5.3508 5.3508 6.0738 6.0738 6.2198 6.2198 6.2769 6.2769 13.0498 13.0498 14.9432 14.9432 20.3024 20.3024 21.6569 21.6569 k = 0.0356-0.0560-0.1088 ( 3859 PWs) bands (ev): -36.3441 -36.3441 -12.2738 -12.2738 -10.1656 -10.1656 1.5610 1.5610 5.0872 5.0872 5.3379 5.3379 6.0255 6.0255 6.2125 6.2125 6.2924 6.2924 13.0955 13.0955 14.9908 14.9908 20.2947 20.2947 21.5963 21.5963 k = 0.0401-0.0630-0.1224 ( 3857 PWs) bands (ev): -36.3438 -36.3438 -12.2608 -12.2608 -10.1594 -10.1594 1.5710 1.5710 5.0191 5.0191 5.3227 5.3227 5.9725 5.9725 6.2038 6.2038 6.3076 6.3076 13.1461 13.1461 15.0439 15.0439 20.2858 20.2858 21.5305 21.5305 k = 0.0445-0.0700-0.1360 ( 3859 PWs) bands (ev): -36.3434 -36.3434 -12.2462 -12.2462 -10.1525 -10.1525 1.5820 1.5820 4.9467 4.9467 5.3048 5.3048 5.9155 5.9155 6.1938 6.1938 6.3221 6.3221 13.2012 13.2012 15.1024 15.1024 20.2757 20.2757 21.4601 21.4601 k = 0.0490-0.0770-0.1496 ( 3865 PWs) bands (ev): -36.3429 -36.3429 -12.2302 -12.2302 -10.1450 -10.1450 1.5942 1.5942 4.8707 4.8707 5.2838 5.2838 5.8554 5.8554 6.1824 6.1824 6.3356 6.3356 13.2605 13.2605 15.1658 15.1658 20.2645 20.2645 21.3859 21.3859 k = 0.0535-0.0840-0.1632 ( 3861 PWs) bands (ev): -36.3424 -36.3424 -12.2128 -12.2128 -10.1368 -10.1368 1.6074 1.6074 4.7915 4.7915 5.2591 5.2591 5.7934 5.7934 6.1697 6.1697 6.3478 6.3478 13.3236 13.3236 15.2340 15.2340 20.2519 20.2519 21.3087 21.3087 k = 0.0579-0.0910-0.1768 ( 3855 PWs) bands (ev): -36.3419 -36.3419 -12.1939 -12.1939 -10.1280 -10.1280 1.6216 1.6216 4.7095 4.7095 5.2297 5.2297 5.7306 5.7306 6.1556 6.1556 6.3588 6.3588 13.3900 13.3900 15.3066 15.3066 20.2380 20.2380 21.2291 21.2291 k = 0.0624-0.0980-0.1904 ( 3853 PWs) bands (ev): -36.3413 -36.3413 -12.1735 -12.1735 -10.1186 -10.1186 1.6368 1.6368 4.6252 4.6252 5.1949 5.1949 5.6684 5.6684 6.1400 6.1400 6.3683 6.3683 13.4595 13.4595 15.3833 15.3833 20.2227 20.2227 21.1477 21.1477 k = 0.0668-0.1050-0.2040 ( 3857 PWs) bands (ev): -36.3408 -36.3408 -12.1518 -12.1518 -10.1086 -10.1086 1.6530 1.6530 4.5388 4.5388 5.1535 5.1535 5.6083 5.6083 6.1228 6.1228 6.3765 6.3765 13.5316 13.5316 15.4638 15.4638 20.2060 20.2060 21.0651 21.0651 k = 0.0713-0.1120-0.2176 ( 3857 PWs) bands (ev): -36.3401 -36.3401 -12.1286 -12.1286 -10.0982 -10.0982 1.6700 1.6700 4.4508 4.4508 5.1046 5.1046 5.5516 5.5516 6.1040 6.1040 6.3832 6.3832 13.6061 13.6061 15.5479 15.5479 20.1877 20.1877 20.9818 20.9818 k = 0.0757-0.1190-0.2312 ( 3853 PWs) bands (ev): -36.3395 -36.3395 -12.1041 -12.1041 -10.0872 -10.0872 1.6879 1.6879 4.3613 4.3613 5.0476 5.0476 5.4993 5.4993 6.0836 6.0836 6.3886 6.3886 13.6825 13.6825 15.6352 15.6352 20.1678 20.1678 20.8985 20.8985 k = 0.0802-0.1260-0.2448 ( 3855 PWs) bands (ev): -36.3388 -36.3388 -12.0783 -12.0783 -10.0757 -10.0757 1.7066 1.7066 4.2708 4.2708 4.9825 4.9825 5.4517 5.4517 6.0614 6.0614 6.3927 6.3927 13.7607 13.7607 15.7254 15.7254 20.1460 20.1460 20.8156 20.8156 k = 0.0846-0.1330-0.2584 ( 3857 PWs) bands (ev): -36.3381 -36.3381 -12.0512 -12.0512 -10.0638 -10.0638 1.7260 1.7260 4.1795 4.1795 4.9101 4.9101 5.4087 5.4087 6.0374 6.0374 6.3956 6.3956 13.8402 13.8402 15.8182 15.8182 20.1224 20.1224 20.7336 20.7336 k = 0.0891-0.1400-0.2720 ( 3855 PWs) bands (ev): -36.3373 -36.3373 -12.0227 -12.0227 -10.0515 -10.0515 1.7462 1.7462 4.0877 4.0877 4.8313 4.8313 5.3694 5.3694 6.0117 6.0117 6.3972 6.3972 13.9209 13.9209 15.9135 15.9135 20.0967 20.0967 20.6532 20.6532 k = 0.0936-0.1470-0.2856 ( 3861 PWs) bands (ev): -36.3366 -36.3366 -11.9930 -11.9930 -10.0389 -10.0389 1.7669 1.7669 3.9955 3.9955 4.7474 4.7474 5.3332 5.3332 5.9840 5.9840 6.3977 6.3977 14.0025 14.0025 16.0109 16.0109 20.0686 20.0686 20.5748 20.5748 k = 0.0980-0.1540-0.2992 ( 3855 PWs) bands (ev): -36.3358 -36.3358 -11.9621 -11.9621 -10.0259 -10.0259 1.7881 1.7881 3.9034 3.9034 4.6594 4.6594 5.2991 5.2991 5.9545 5.9545 6.3970 6.3970 14.0848 14.0848 16.1101 16.1101 20.0380 20.0380 20.4990 20.4990 k = 0.1025-0.1610-0.3128 ( 3857 PWs) bands (ev): -36.3350 -36.3350 -11.9300 -11.9300 -10.0127 -10.0127 1.8098 1.8098 3.8114 3.8114 4.5684 4.5684 5.2666 5.2666 5.9230 5.9230 6.3954 6.3954 14.1675 14.1675 16.2110 16.2110 20.0043 20.0043 20.4265 20.4265 k = 0.1069-0.1680-0.3264 ( 3861 PWs) bands (ev): -36.3341 -36.3341 -11.8968 -11.8968 -9.9992 -9.9992 1.8318 1.8318 3.7199 3.7199 4.4752 4.4752 5.2352 5.2352 5.8896 5.8896 6.3927 6.3927 14.2505 14.2505 16.3133 16.3133 19.9674 19.9674 20.3578 20.3578 k = 0.1114-0.1750-0.3400 ( 3859 PWs) bands (ev): -36.3333 -36.3333 -11.8624 -11.8624 -9.9855 -9.9855 1.8540 1.8540 3.6290 3.6290 4.3806 4.3806 5.2044 5.2044 5.8542 5.8542 6.3890 6.3890 14.3336 14.3336 16.4168 16.4168 19.9269 19.9269 20.2935 20.2935 k = 0.1158-0.1820-0.3536 ( 3855 PWs) bands (ev): -36.3324 -36.3324 -11.8270 -11.8270 -9.9716 -9.9716 1.8763 1.8763 3.5390 3.5390 4.2851 4.2851 5.1740 5.1740 5.8169 5.8169 6.3845 6.3845 14.4166 14.4166 16.5213 16.5213 19.8826 19.8826 20.2340 20.2340 k = 0.1203-0.1890-0.3672 ( 3855 PWs) bands (ev): -36.3315 -36.3315 -11.7905 -11.7905 -9.9577 -9.9577 1.8986 1.8986 3.4501 3.4501 4.1894 4.1894 5.1438 5.1438 5.7776 5.7776 6.3790 6.3790 14.4994 14.4994 16.6267 16.6267 19.8347 19.8347 20.1795 20.1795 k = 0.1247-0.1960-0.3808 ( 3859 PWs) bands (ev): -36.3306 -36.3306 -11.7530 -11.7530 -9.9437 -9.9437 1.9206 1.9206 3.3623 3.3623 4.0937 4.0937 5.1137 5.1137 5.7364 5.7364 6.3727 6.3727 14.5819 14.5819 16.7327 16.7327 19.7835 19.7835 20.1297 20.1297 k = 0.1292-0.2030-0.3944 ( 3859 PWs) bands (ev): -36.3297 -36.3297 -11.7146 -11.7146 -9.9297 -9.9297 1.9423 1.9423 3.2760 3.2760 3.9987 3.9987 5.0836 5.0836 5.6933 5.6933 6.3656 6.3656 14.6640 14.6640 16.8392 16.8392 19.7296 19.7296 20.0842 20.0842 k = 0.1336-0.2100-0.4080 ( 3863 PWs) bands (ev): -36.3288 -36.3288 -11.6752 -11.6752 -9.9157 -9.9157 1.9633 1.9633 3.1914 3.1914 3.9047 3.9047 5.0536 5.0536 5.6482 5.6482 6.3576 6.3576 14.7455 14.7455 16.9460 16.9460 19.6739 19.6739 20.0425 20.0425 k = 0.1381-0.2170-0.4216 ( 3861 PWs) bands (ev): -36.3279 -36.3279 -11.6350 -11.6350 -9.9019 -9.9019 1.9835 1.9835 3.1085 3.1085 3.8121 3.8121 5.0236 5.0236 5.6013 5.6013 6.3489 6.3489 14.8263 14.8263 17.0530 17.0530 19.6171 19.6171 20.0040 20.0040 k = 0.1426-0.2240-0.4352 ( 3855 PWs) bands (ev): -36.3270 -36.3270 -11.5940 -11.5940 -9.8882 -9.8882 2.0027 2.0027 3.0275 3.0275 3.7212 3.7212 4.9937 4.9937 5.5526 5.5526 6.3393 6.3393 14.9064 14.9064 17.1600 17.1600 19.5599 19.5599 19.9681 19.9681 k = 0.1470-0.2310-0.4488 ( 3851 PWs) bands (ev): -36.3261 -36.3261 -11.5523 -11.5523 -9.8747 -9.8747 2.0204 2.0204 2.9486 2.9486 3.6325 3.6325 4.9640 4.9640 5.5021 5.5021 6.3290 6.3290 14.9857 14.9857 17.2669 17.2669 19.5028 19.5028 19.9346 19.9346 k = 0.1515-0.2380-0.4624 ( 3847 PWs) bands (ev): -36.3251 -36.3251 -11.5098 -11.5098 -9.8614 -9.8614 2.0364 2.0364 2.8720 2.8720 3.5464 3.5464 4.9345 4.9345 5.4498 5.4498 6.3179 6.3179 15.0641 15.0641 17.3735 17.3735 19.4464 19.4464 19.9031 19.9031 k = 0.1559-0.2450-0.4760 ( 3847 PWs) bands (ev): -36.3242 -36.3242 -11.4667 -11.4667 -9.8485 -9.8485 2.0504 2.0504 2.7978 2.7978 3.4632 3.4632 4.9054 4.9054 5.3959 5.3959 6.3060 6.3060 15.1416 15.1416 17.4797 17.4797 19.3909 19.3909 19.8735 19.8735 k = 0.1604-0.2520-0.4896 ( 3847 PWs) bands (ev): -36.3233 -36.3233 -11.4230 -11.4230 -9.8359 -9.8359 2.0618 2.0618 2.7260 2.7260 3.3834 3.3834 4.8767 4.8767 5.3404 5.3404 6.2934 6.2934 15.2180 15.2180 17.5854 17.5854 19.3366 19.3366 19.8456 19.8456 k = 0.1648-0.2590-0.5032 ( 3843 PWs) bands (ev): -36.3223 -36.3223 -11.3788 -11.3788 -9.8238 -9.8238 2.0704 2.0704 2.6570 2.6570 3.3074 3.3074 4.8488 4.8488 5.2834 5.2834 6.2800 6.2800 15.2934 15.2934 17.6903 17.6903 19.2837 19.2837 19.8194 19.8194 k = 0.1693-0.2660-0.5168 ( 3837 PWs) bands (ev): -36.3214 -36.3214 -11.3341 -11.3341 -9.8121 -9.8121 2.0755 2.0755 2.5907 2.5907 3.2357 3.2357 4.8216 4.8216 5.2249 5.2249 6.2659 6.2659 15.3675 15.3675 17.7943 17.7943 19.2324 19.2324 19.7950 19.7950 k = 0.1737-0.2730-0.5304 ( 3837 PWs) bands (ev): -36.3205 -36.3205 -11.2891 -11.2891 -9.8009 -9.8009 2.0769 2.0769 2.5273 2.5273 3.1685 3.1685 4.7955 4.7955 5.1650 5.1650 6.2510 6.2510 15.4405 15.4405 17.8972 17.8972 19.1828 19.1828 19.7722 19.7722 k = 0.1782-0.2800-0.5440 ( 3839 PWs) bands (ev): -36.3196 -36.3196 -11.2436 -11.2436 -9.7904 -9.7904 2.0739 2.0739 2.4668 2.4668 3.1064 3.1064 4.7706 4.7706 5.1038 5.1038 6.2354 6.2354 15.5122 15.5122 17.9989 17.9989 19.1350 19.1350 19.7445 19.7445 k = 0.1827-0.2870-0.5576 ( 3835 PWs) bands (ev): -36.3187 -36.3187 -11.1979 -11.1979 -9.7804 -9.7804 2.0664 2.0664 2.4095 2.4095 3.0495 3.0495 4.7471 4.7471 5.0414 5.0414 6.2191 6.2191 15.5825 15.5825 18.0989 18.0989 19.0891 19.0891 19.7003 19.7003 k = 0.1871-0.2940-0.5712 ( 3831 PWs) bands (ev): -36.3179 -36.3179 -11.1520 -11.1520 -9.7711 -9.7711 2.0542 2.0542 2.3553 2.3553 2.9980 2.9980 4.7253 4.7253 4.9780 4.9780 6.2020 6.2020 15.6515 15.6515 18.1971 18.1971 19.0452 19.0452 19.6599 19.6599 k = 0.1916-0.3010-0.5848 ( 3823 PWs) bands (ev): -36.3170 -36.3170 -11.1060 -11.1060 -9.7625 -9.7625 2.0371 2.0371 2.3044 2.3044 2.9517 2.9517 4.7054 4.7054 4.9134 4.9134 6.1842 6.1842 15.7189 15.7189 18.2931 18.2931 19.0033 19.0033 19.6235 19.6235 k = 0.1960-0.3079-0.5984 ( 3827 PWs) bands (ev): -36.3162 -36.3162 -11.0599 -11.0599 -9.7547 -9.7547 2.0155 2.0155 2.2569 2.2569 2.9103 2.9103 4.6875 4.6875 4.8480 4.8480 6.1657 6.1657 15.7848 15.7848 18.3865 18.3865 18.9637 18.9637 19.5914 19.5914 k = 0.2005-0.3149-0.6120 ( 3831 PWs) bands (ev): -36.3154 -36.3154 -11.0138 -11.0138 -9.7476 -9.7476 1.9897 1.9897 2.2127 2.2127 2.8734 2.8734 4.6720 4.6720 4.7818 4.7818 6.1464 6.1464 15.8491 15.8491 18.4766 18.4766 18.9263 18.9263 19.5634 19.5634 k = 0.2049-0.3219-0.6256 ( 3827 PWs) bands (ev): -36.3146 -36.3146 -10.9678 -10.9678 -9.7414 -9.7414 1.9603 1.9603 2.1720 2.1720 2.8403 2.8403 4.6590 4.6590 4.7148 4.7148 6.1265 6.1265 15.9116 15.9116 18.5630 18.5630 18.8913 18.8913 19.5397 19.5397 k = 0.2094-0.3289-0.6392 ( 3823 PWs) bands (ev): -36.3138 -36.3138 -10.9219 -10.9219 -9.7361 -9.7361 1.9281 1.9281 2.1348 2.1348 2.8101 2.8101 4.6469 4.6469 4.6491 4.6491 6.1059 6.1059 15.9724 15.9724 18.6447 18.6447 18.8587 18.8587 19.5206 19.5206 k = 0.2138-0.3359-0.6528 ( 3821 PWs) bands (ev): -36.3130 -36.3130 -10.8762 -10.8762 -9.7317 -9.7317 1.8938 1.8938 2.1011 2.1011 2.7820 2.7820 4.5792 4.5792 4.6414 4.6414 6.0846 6.0846 16.0312 16.0312 18.7206 18.7206 18.8289 18.8289 19.5064 19.5064 k = 0.2183-0.3429-0.6664 ( 3819 PWs) bands (ev): -36.3123 -36.3123 -10.8309 -10.8309 -9.7282 -9.7282 1.8582 1.8582 2.0709 2.0709 2.7554 2.7554 4.5108 4.5108 4.6370 4.6370 6.0627 6.0627 16.0881 16.0881 18.7872 18.7872 18.8041 18.8041 19.4976 19.4976 k = 0.2227-0.3499-0.6800 ( 3819 PWs) bands (ev): -36.3116 -36.3116 -10.7859 -10.7859 -9.7257 -9.7257 1.8220 1.8220 2.0444 2.0444 2.7293 2.7293 4.4422 4.4422 4.6357 4.6357 6.0401 6.0401 16.1430 16.1430 18.7760 18.7760 18.8516 18.8516 19.4948 19.4948 k = 0.2272-0.3569-0.6936 ( 3825 PWs) bands (ev): -36.3109 -36.3109 -10.7413 -10.7413 -9.7241 -9.7241 1.7859 1.7859 2.0213 2.0213 2.7034 2.7034 4.3735 4.3735 4.6376 4.6376 6.0169 6.0169 16.1957 16.1957 18.7546 18.7546 18.9024 18.9024 19.4986 19.4986 k = 0.2317-0.3639-0.7072 ( 3823 PWs) bands (ev): -36.3102 -36.3102 -10.6973 -10.6973 -9.7235 -9.7235 1.7503 1.7503 2.0018 2.0018 2.6770 2.6770 4.3048 4.3048 4.6426 4.6426 5.9931 5.9931 16.2462 16.2462 18.7359 18.7359 18.9421 18.9421 19.5092 19.5092 k = 0.2361-0.3709-0.7208 ( 3819 PWs) bands (ev): -36.3096 -36.3096 -10.6538 -10.6538 -9.7240 -9.7240 1.7159 1.7159 1.9859 1.9859 2.6499 2.6499 4.2363 4.2363 4.6507 4.6507 5.9687 5.9687 16.2944 16.2944 18.7204 18.7204 18.9699 18.9699 19.5264 19.5264 k = 0.2406-0.3779-0.7344 ( 3823 PWs) bands (ev): -36.3090 -36.3090 -10.6110 -10.6110 -9.7255 -9.7255 1.6830 1.6830 1.9733 1.9733 2.6217 2.6217 4.1682 4.1682 4.6618 4.6618 5.9438 5.9438 16.3402 16.3402 18.7080 18.7080 18.9855 18.9855 19.5492 19.5492 k = 0.2450-0.3849-0.7480 ( 3827 PWs) bands (ev): -36.3084 -36.3084 -10.5689 -10.5689 -9.7279 -9.7279 1.6520 1.6520 1.9641 1.9641 2.5924 2.5924 4.1005 4.1005 4.6759 4.6759 5.9183 5.9183 16.3836 16.3836 18.6987 18.6987 18.9895 18.9895 19.5759 19.5759 k = 0.2495-0.3919-0.7616 ( 3823 PWs) bands (ev): -36.3079 -36.3079 -10.5276 -10.5276 -9.7314 -9.7314 1.6230 1.6230 1.9582 1.9582 2.5619 2.5619 4.0336 4.0336 4.6928 4.6928 5.8923 5.8923 16.4247 16.4247 18.6927 18.6927 18.9828 18.9828 19.6046 19.6046 k = 0.2539-0.3989-0.7752 ( 3823 PWs) bands (ev): -36.3074 -36.3074 -10.4872 -10.4872 -9.7360 -9.7360 1.5964 1.5964 1.9555 1.9555 2.5301 2.5301 3.9676 3.9676 4.7122 4.7122 5.8659 5.8659 16.4633 16.4633 18.6899 18.6899 18.9662 18.9662 19.6337 19.6337 k = 0.2584-0.4059-0.7888 ( 3825 PWs) bands (ev): -36.3069 -36.3069 -10.4477 -10.4477 -9.7415 -9.7415 1.5722 1.5722 1.9557 1.9557 2.4973 2.4973 3.9027 3.9027 4.7342 4.7342 5.8391 5.8391 16.4996 16.4996 18.6903 18.6903 18.9404 18.9404 19.6619 19.6619 k = 0.2628-0.4129-0.8024 ( 3821 PWs) bands (ev): -36.3064 -36.3064 -10.4091 -10.4091 -9.7480 -9.7480 1.5507 1.5507 1.9588 1.9588 2.4635 2.4635 3.8391 3.8391 4.7583 4.7583 5.8118 5.8118 16.5336 16.5336 18.6937 18.6937 18.9059 18.9059 19.6885 19.6885 k = 0.2673-0.4199-0.8160 ( 3819 PWs) bands (ev): -36.3060 -36.3060 -10.3716 -10.3716 -9.7555 -9.7555 1.5317 1.5317 1.9644 1.9644 2.4290 2.4290 3.7772 3.7772 4.7845 4.7845 5.7841 5.7841 16.5654 16.5654 18.7000 18.7000 18.8630 18.8630 19.7135 19.7135 k = 0.2718-0.4269-0.8296 ( 3829 PWs) bands (ev): -36.3056 -36.3056 -10.3351 -10.3351 -9.7639 -9.7639 1.5154 1.5154 1.9723 1.9723 2.3940 2.3940 3.7172 3.7172 4.8125 4.8125 5.7562 5.7562 16.5950 16.5950 18.7089 18.7089 18.8123 18.8123 19.7369 19.7369 k = 0.2762-0.4339-0.8432 ( 3828 PWs) bands (ev): -36.3053 -36.3053 -10.2998 -10.2998 -9.7733 -9.7733 1.5016 1.5016 1.9823 1.9823 2.3588 2.3588 3.6596 3.6596 4.8421 4.8421 5.7279 5.7279 16.6228 16.6228 18.7198 18.7198 18.7547 18.7547 19.7592 19.7592 k = 0.2807-0.4409-0.8568 ( 3830 PWs) bands (ev): -36.3049 -36.3049 -10.2656 -10.2656 -9.7836 -9.7836 1.4902 1.4902 1.9938 1.9938 2.3238 2.3238 3.6046 3.6046 4.8730 4.8730 5.6994 5.6994 16.6487 16.6487 18.6875 18.6875 18.7354 18.7354 19.7807 19.7807 k = 0.2851-0.4479-0.8704 ( 3828 PWs) bands (ev): -36.3046 -36.3046 -10.2327 -10.2327 -9.7947 -9.7947 1.4811 1.4811 2.0064 2.0064 2.2893 2.2893 3.5528 3.5528 4.9052 4.9052 5.6706 5.6706 16.6731 16.6731 18.6163 18.6163 18.7506 18.7506 19.8019 19.8019 k = 0.2896-0.4549-0.8840 ( 3832 PWs) bands (ev): -36.3043 -36.3043 -10.2010 -10.2010 -9.8067 -9.8067 1.4739 1.4739 2.0197 2.0197 2.2560 2.2560 3.5047 3.5047 4.9384 4.9384 5.6417 5.6417 16.6961 16.6961 18.5389 18.5389 18.7676 18.7676 19.8231 19.8231 k = 0.2940-0.4619-0.8976 ( 3832 PWs) bands (ev): -36.3041 -36.3041 -10.1705 -10.1705 -9.8195 -9.8195 1.4682 1.4682 2.0329 2.0329 2.2242 2.2242 3.4610 3.4610 4.9723 4.9723 5.6126 5.6126 16.7180 16.7180 18.4563 18.4563 18.7858 18.7858 19.8445 19.8445 k = 0.2985-0.4689-0.9112 ( 3832 PWs) bands (ev): -36.3039 -36.3039 -10.1414 -10.1414 -9.8330 -9.8330 1.4636 1.4636 2.0455 2.0455 2.1947 2.1947 3.4222 3.4222 5.0069 5.0069 5.5834 5.5834 16.7389 16.7389 18.3692 18.3692 18.8046 18.8046 19.8664 19.8664 k = 0.3029-0.4759-0.9248 ( 3830 PWs) bands (ev): -36.3037 -36.3037 -10.1136 -10.1136 -9.8472 -9.8472 1.4595 1.4595 2.0566 2.0566 2.1683 2.1683 3.3891 3.3891 5.0420 5.0420 5.5542 5.5542 16.7591 16.7591 18.2782 18.2782 18.8235 18.8235 19.8887 19.8887 k = 0.3074-0.4829-0.9384 ( 3830 PWs) bands (ev): -36.3035 -36.3035 -10.0871 -10.0871 -9.8621 -9.8621 1.4551 1.4551 2.0655 2.0655 2.1458 2.1458 3.3624 3.3624 5.0773 5.0773 5.5250 5.5250 16.7788 16.7788 18.1839 18.1839 18.8421 18.8421 19.9114 19.9114 k = 0.3118-0.4899-0.9520 ( 3828 PWs) bands (ev): -36.3034 -36.3034 -10.0619 -10.0619 -9.8776 -9.8776 1.4496 1.4496 2.0714 2.0714 2.1280 2.1280 3.3430 3.3430 5.1128 5.1128 5.4958 5.4958 16.7983 16.7983 18.0867 18.0867 18.8596 18.8596 19.9346 19.9346 k = 0.3163-0.4969-0.9656 ( 3822 PWs) bands (ev): -36.3033 -36.3033 -10.0381 -10.0381 -9.8937 -9.8937 1.4422 1.4422 2.0735 2.0735 2.1159 2.1159 3.3313 3.3313 5.1483 5.1483 5.4666 5.4666 16.8176 16.8176 17.9872 17.9872 18.8756 18.8756 19.9581 19.9581 k = 0.3208-0.5039-0.9792 ( 3826 PWs) bands (ev): -36.3032 -36.3032 -10.0156 -10.0156 -9.9103 -9.9103 1.4323 1.4323 2.0715 2.0715 2.1102 2.1102 3.3280 3.3280 5.1836 5.1836 5.4376 5.4376 16.8371 16.8371 17.8856 17.8856 18.8894 18.8894 19.9817 19.9817 k = 0.3252-0.5109-0.9928 ( 3822 PWs) bands (ev): -36.3032 -36.3032 -9.9944 -9.9944 -9.9273 -9.9273 1.4192 1.4192 2.0648 2.0648 2.1115 2.1115 3.3333 3.3333 5.2186 5.2186 5.4088 5.4088 16.8568 16.8568 17.7824 17.7824 18.9003 18.9003 20.0054 20.0054 k = 0.3297-0.5179-1.0064 ( 3828 PWs) bands (ev): -36.3031 -36.3031 -9.9746 -9.9746 -9.9447 -9.9447 1.4026 1.4026 2.0534 2.0534 2.1202 2.1202 3.3472 3.3472 5.2532 5.2532 5.3802 5.3802 16.8768 16.8768 17.6778 17.6778 18.9076 18.9076 20.0289 20.0289 k = 0.3341-0.5249-1.0200 ( 3822 PWs) bands (ev): -36.3031 -36.3031 -9.9626 -9.9626 -9.9559 -9.9559 1.3826 1.3826 2.0373 2.0373 2.1363 2.1363 3.3696 3.3696 5.2873 5.2873 5.3518 5.3518 16.8974 16.8974 17.5721 17.5721 18.9105 18.9105 20.0520 20.0520 k = 0.3386-0.5319-1.0336 ( 3826 PWs) bands (ev): -36.3031 -36.3031 -9.9806 -9.9806 -9.9387 -9.9387 1.3592 1.3592 2.0169 2.0169 2.1597 2.1597 3.4000 3.4000 5.3195 5.3195 5.3251 5.3251 16.9186 16.9186 17.4655 17.4655 18.9085 18.9085 20.0747 20.0747 k = 0.3430-0.5389-1.0472 ( 3822 PWs) bands (ev): -36.3032 -36.3032 -9.9989 -9.9989 -9.9227 -9.9227 1.3330 1.3330 1.9927 1.9927 2.1898 2.1898 3.4379 3.4379 5.2959 5.2959 5.3539 5.3539 16.9406 16.9406 17.3583 17.3583 18.9006 18.9006 20.0966 20.0966 k = 0.6570-0.3933-0.9584 ( 3822 PWs) bands (ev): -36.3032 -36.3032 -9.9989 -9.9989 -9.9227 -9.9227 1.3330 1.3330 1.9927 1.9927 2.1898 2.1898 3.4379 3.4379 5.2959 5.2959 5.3539 5.3539 16.9406 16.9406 17.3583 17.3583 18.9006 18.9006 20.0966 20.0966 k = 0.6526-0.3783-0.9584 ( 3822 PWs) bands (ev): -36.3032 -36.3032 -10.0170 -10.0170 -9.9082 -9.9082 1.3049 1.3049 1.9656 1.9656 2.2255 2.2255 3.4815 3.4815 5.2692 5.2692 5.3852 5.3852 16.9627 16.9627 17.2528 17.2528 18.8867 18.8867 20.1172 20.1172 k = 0.6482-0.3633-0.9584 ( 3822 PWs) bands (ev): -36.3033 -36.3033 -10.0353 -10.0353 -9.8948 -9.8948 1.2750 1.2750 1.9360 1.9360 2.2666 2.2666 3.5310 3.5310 5.2430 5.2430 5.4156 5.4156 16.9857 16.9857 17.1470 17.1470 18.8659 18.8659 20.1367 20.1367 k = 0.6439-0.3484-0.9584 ( 3822 PWs) bands (ev): -36.3034 -36.3034 -10.0536 -10.0536 -9.8825 -9.8825 1.2436 1.2436 1.9042 1.9042 2.3128 2.3128 3.5857 3.5857 5.2173 5.2173 5.4452 5.4452 17.0094 17.0094 17.0410 17.0410 18.8378 18.8378 20.1550 20.1550 k = 0.6395-0.3334-0.9584 ( 3826 PWs) bands (ev): -36.3035 -36.3035 -10.0719 -10.0719 -9.8713 -9.8713 1.2112 1.2112 1.8707 1.8707 2.3635 2.3635 3.6449 3.6449 5.1921 5.1921 5.4738 5.4738 16.9350 16.9350 17.0339 17.0339 18.8018 18.8018 20.1718 20.1718 k = 0.6352-0.3184-0.9584 ( 3828 PWs) bands (ev): -36.3036 -36.3036 -10.0903 -10.0903 -9.8610 -9.8610 1.1781 1.1781 1.8360 1.8360 2.4183 2.4183 3.7081 3.7081 5.1675 5.1675 5.5013 5.5013 16.8290 16.8290 17.0591 17.0591 18.7578 18.7578 20.1871 20.1871 k = 0.6308-0.3035-0.9584 ( 3826 PWs) bands (ev): -36.3037 -36.3037 -10.1085 -10.1085 -9.8518 -9.8518 1.1446 1.1446 1.8004 1.8004 2.4768 2.4768 3.7747 3.7747 5.1436 5.1436 5.5277 5.5277 16.7232 16.7232 17.0850 17.0850 18.7056 18.7056 20.2006 20.2006 k = 0.6264-0.2885-0.9584 ( 3822 PWs) bands (ev): -36.3039 -36.3039 -10.1266 -10.1266 -9.8434 -9.8434 1.1109 1.1109 1.7644 1.7644 2.5386 2.5386 3.8440 3.8440 5.1206 5.1206 5.5529 5.5529 16.6178 16.6178 17.1116 17.1116 18.6453 18.6453 20.2122 20.2122 k = 0.6221-0.2735-0.9584 ( 3820 PWs) bands (ev): -36.3040 -36.3040 -10.1446 -10.1446 -9.8360 -9.8360 1.0773 1.0773 1.7282 1.7282 2.6033 2.6033 3.9157 3.9157 5.0984 5.0984 5.5769 5.5769 16.5128 16.5128 17.1388 17.1388 18.5771 18.5771 20.2218 20.2218 k = 0.6177-0.2586-0.9584 ( 3822 PWs) bands (ev): -36.3042 -36.3042 -10.1623 -10.1623 -9.8294 -9.8294 1.0439 1.0439 1.6920 1.6920 2.6706 2.6706 3.9891 3.9891 5.0771 5.0771 5.5997 5.5997 16.4084 16.4084 17.1664 17.1664 18.5015 18.5015 20.2293 20.2293 k = 0.6134-0.2436-0.9584 ( 3822 PWs) bands (ev): -36.3044 -36.3044 -10.1798 -10.1798 -9.8235 -9.8235 1.0110 1.0110 1.6561 1.6561 2.7402 2.7402 4.0637 4.0637 5.0571 5.0571 5.6212 5.6212 16.3047 16.3047 17.1944 17.1944 18.4190 18.4190 20.2346 20.2346 k = 0.6090-0.2286-0.9584 ( 3822 PWs) bands (ev): -36.3045 -36.3045 -10.1970 -10.1970 -9.8184 -9.8184 0.9786 0.9786 1.6207 1.6207 2.8118 2.8118 4.1391 4.1391 5.0383 5.0383 5.6413 5.6413 16.2018 16.2018 17.2225 17.2225 18.3304 18.3304 20.2376 20.2376 k = 0.6046-0.2136-0.9584 ( 3820 PWs) bands (ev): -36.3047 -36.3047 -10.2139 -10.2139 -9.8140 -9.8140 0.9469 0.9469 1.5859 1.5859 2.8850 2.8850 4.2145 4.2145 5.0212 5.0212 5.6600 5.6600 16.1000 16.1000 17.2507 17.2507 18.2365 18.2365 20.2384 20.2384 k = 0.6003-0.1987-0.9584 ( 3822 PWs) bands (ev): -36.3049 -36.3049 -10.2304 -10.2304 -9.8102 -9.8102 0.9159 0.9159 1.5518 1.5518 2.9595 2.9595 4.2893 4.2893 5.0061 5.0061 5.6774 5.6774 15.9994 15.9994 17.2787 17.2787 18.1384 18.1384 20.2368 20.2368 k = 0.5959-0.1837-0.9584 ( 3820 PWs) bands (ev): -36.3051 -36.3051 -10.2464 -10.2464 -9.8069 -9.8069 0.8859 0.8859 1.5186 1.5186 3.0350 3.0350 4.3625 4.3625 4.9936 4.9936 5.6934 5.6934 15.9002 15.9002 17.3062 17.3062 18.0372 18.0372 20.2331 20.2331 k = 0.5916-0.1687-0.9584 ( 3824 PWs) bands (ev): -36.3053 -36.3053 -10.2620 -10.2620 -9.8043 -9.8043 0.8567 0.8567 1.4864 1.4864 3.1112 3.1112 4.4331 4.4331 4.9844 4.9844 5.7079 5.7079 15.8025 15.8025 17.3326 17.3326 17.9340 17.9340 20.2273 20.2273 k = 0.5872-0.1538-0.9584 ( 3826 PWs) bands (ev): -36.3055 -36.3055 -10.2772 -10.2772 -9.8021 -9.8021 0.8285 0.8285 1.4553 1.4553 3.1878 3.1878 4.4995 4.4995 4.9798 4.9798 5.7210 5.7210 15.7066 15.7066 17.3570 17.3570 17.8308 17.8308 20.2194 20.2194 k = 0.5828-0.1388-0.9584 ( 3822 PWs) bands (ev): -36.3056 -36.3056 -10.2918 -10.2918 -9.8003 -9.8003 0.8014 0.8014 1.4253 1.4253 3.2644 3.2644 4.5595 4.5595 4.9815 4.9815 5.7327 5.7327 15.6128 15.6128 17.3775 17.3775 17.7301 17.7301 20.2097 20.2097 k = 0.5785-0.1238-0.9584 ( 3824 PWs) bands (ev): -36.3058 -36.3058 -10.3058 -10.3058 -9.7989 -9.7989 0.7755 0.7755 1.3966 1.3966 3.3406 3.3406 4.6107 4.6107 4.9919 4.9919 5.7430 5.7430 15.5212 15.5212 17.3886 17.3886 17.6381 17.6381 20.1985 20.1985 k = 0.5741-0.1089-0.9584 ( 3824 PWs) bands (ev): -36.3060 -36.3060 -10.3193 -10.3193 -9.7979 -9.7979 0.7507 0.7507 1.3691 1.3691 3.4163 3.4163 4.6507 4.6507 5.0129 5.0129 5.7518 5.7518 15.4321 15.4321 17.3757 17.3757 17.5704 17.5704 20.1858 20.1858 k = 0.5698-0.0939-0.9584 ( 3824 PWs) bands (ev): -36.3062 -36.3062 -10.3321 -10.3321 -9.7971 -9.7971 0.7271 0.7271 1.3430 1.3430 3.4908 3.4908 4.6784 4.6784 5.0451 5.0451 5.7593 5.7593 15.3457 15.3457 17.3214 17.3214 17.5447 17.5447 20.1719 20.1719 k = 0.5654-0.0789-0.9584 ( 3822 PWs) bands (ev): -36.3064 -36.3064 -10.3443 -10.3443 -9.7967 -9.7967 0.7048 0.7048 1.3182 1.3182 3.5640 3.5640 4.6951 4.6951 5.0871 5.0871 5.7654 5.7654 15.2624 15.2624 17.2390 17.2390 17.5486 17.5486 20.1572 20.1572 k = 0.5610-0.0639-0.9584 ( 3824 PWs) bands (ev): -36.3065 -36.3065 -10.3558 -10.3558 -9.7964 -9.7964 0.6837 0.6837 1.2949 1.2949 3.6354 3.6354 4.7035 4.7035 5.1358 5.1358 5.7702 5.7702 15.1825 15.1825 17.1478 17.1478 17.5633 17.5633 20.1418 20.1418 k = 0.5567-0.0490-0.9584 ( 3826 PWs) bands (ev): -36.3067 -36.3067 -10.3666 -10.3666 -9.7964 -9.7964 0.6640 0.6640 1.2731 1.2731 3.7046 3.7046 4.7063 4.7063 5.1881 5.1881 5.7738 5.7738 15.1062 15.1062 17.0557 17.0557 17.5815 17.5815 20.1261 20.1261 k = 0.5523-0.0340-0.9584 ( 3832 PWs) bands (ev): -36.3069 -36.3069 -10.3768 -10.3768 -9.7964 -9.7964 0.6457 0.6457 1.2527 1.2527 3.7711 3.7711 4.7056 4.7056 5.2416 5.2416 5.7762 5.7762 15.0339 15.0339 16.9660 16.9660 17.6005 17.6005 20.1103 20.1103 k = 0.5480-0.0190-0.9584 ( 3830 PWs) bands (ev): -36.3070 -36.3070 -10.3862 -10.3862 -9.7967 -9.7967 0.6287 0.6287 1.2339 1.2339 3.8347 3.8347 4.7027 4.7027 5.2946 5.2946 5.7776 5.7776 14.9659 14.9659 16.8802 16.8802 17.6191 17.6191 20.0947 20.0947 k = 0.5436-0.0041-0.9584 ( 3830 PWs) bands (ev): -36.3071 -36.3071 -10.3948 -10.3948 -9.7969 -9.7969 0.6131 0.6131 1.2166 1.2166 3.8948 3.8948 4.6988 4.6988 5.3457 5.3457 5.7780 5.7780 14.9025 14.9025 16.7994 16.7994 17.6370 17.6370 20.0796 20.0796 k = 0.5392 0.0109-0.9584 ( 3830 PWs) bands (ev): -36.3072 -36.3072 -10.4027 -10.4027 -9.7973 -9.7973 0.5990 0.5990 1.2009 1.2009 3.9510 3.9510 4.6943 4.6943 5.3940 5.3940 5.7776 5.7776 14.8439 14.8439 16.7244 16.7244 17.6536 17.6536 20.0651 20.0651 k = 0.5349 0.0259-0.9584 ( 3828 PWs) bands (ev): -36.3074 -36.3074 -10.4097 -10.4097 -9.7977 -9.7977 0.5863 0.5863 1.1869 1.1869 4.0028 4.0028 4.6896 4.6896 5.4388 5.4388 5.7765 5.7765 14.7906 14.7906 16.6557 16.6557 17.6689 17.6689 20.0515 20.0515 k = 0.5305 0.0408-0.9584 ( 3828 PWs) bands (ev): -36.3075 -36.3075 -10.4160 -10.4160 -9.7981 -9.7981 0.5750 0.5750 1.1744 1.1744 4.0499 4.0499 4.6851 4.6851 5.4795 5.4795 5.7750 5.7750 14.7428 14.7428 16.5938 16.5938 17.6827 17.6827 20.0391 20.0391 k = 0.5262 0.0558-0.9584 ( 3830 PWs) bands (ev): -36.3075 -36.3075 -10.4215 -10.4215 -9.7985 -9.7985 0.5653 0.5653 1.1636 1.1636 4.0918 4.0918 4.6810 4.6810 5.5157 5.5157 5.7732 5.7732 14.7007 14.7007 16.5394 16.5394 17.6948 17.6948 20.0280 20.0280 k = 0.5218 0.0708-0.9584 ( 3828 PWs) bands (ev): -36.3076 -36.3076 -10.4261 -10.4261 -9.7988 -9.7988 0.5570 0.5570 1.1544 1.1544 4.1281 4.1281 4.6773 4.6773 5.5469 5.5469 5.7712 5.7712 14.6647 14.6647 16.4926 16.4926 17.7051 17.7051 20.0182 20.0182 k = 0.5174 0.0858-0.9584 ( 3828 PWs) bands (ev): -36.3077 -36.3077 -10.4299 -10.4299 -9.7991 -9.7991 0.5502 0.5502 1.1468 1.1468 4.1583 4.1583 4.6742 4.6742 5.5728 5.5728 5.7693 5.7693 14.6348 14.6348 16.4539 16.4539 17.7137 17.7137 20.0101 20.0101 k = 0.5131 0.1007-0.9584 ( 3826 PWs) bands (ev): -36.3077 -36.3077 -10.4329 -10.4329 -9.7994 -9.7994 0.5449 0.5449 1.1410 1.1410 4.1823 4.1823 4.6717 4.6717 5.5932 5.5932 5.7676 5.7676 14.6114 14.6114 16.4236 16.4236 17.7204 17.7204 20.0037 20.0037 k = 0.5087 0.1157-0.9584 ( 3826 PWs) bands (ev): -36.3078 -36.3078 -10.4350 -10.4350 -9.7996 -9.7996 0.5411 0.5411 1.1368 1.1368 4.1996 4.1996 4.6699 4.6699 5.6079 5.6079 5.7664 5.7664 14.5946 14.5946 16.4017 16.4017 17.7252 17.7252 19.9990 19.9990 k = 0.5044 0.1307-0.9584 ( 3830 PWs) bands (ev): -36.3078 -36.3078 -10.4363 -10.4363 -9.7997 -9.7997 0.5388 0.5388 1.1343 1.1343 4.2100 4.2100 4.6688 4.6688 5.6168 5.6168 5.7655 5.7655 14.5845 14.5845 16.3886 16.3886 17.7281 17.7281 19.9962 19.9962 k = 0.5000 0.1456-0.9584 ( 3832 PWs) bands (ev): -36.3078 -36.3078 -10.4367 -10.4367 -9.7997 -9.7997 0.5380 0.5380 1.1334 1.1334 4.2135 4.2135 4.6685 4.6685 5.6198 5.6198 5.7653 5.7653 14.5811 14.5811 16.3842 16.3842 17.7291 17.7291 19.9953 19.9953 k = 0.5000 0.1456-0.9584 ( 3832 PWs) bands (ev): -36.3078 -36.3078 -10.4367 -10.4367 -9.7997 -9.7997 0.5380 0.5380 1.1334 1.1334 4.2135 4.2135 4.6685 4.6685 5.6198 5.6198 5.7653 5.7653 14.5811 14.5811 16.3842 16.3842 17.7291 17.7291 19.9953 19.9953 k = 0.5131 0.1494-0.9510 ( 3834 PWs) bands (ev): -36.3078 -36.3078 -10.4366 -10.4366 -9.8001 -9.8001 0.5384 0.5384 1.1347 1.1347 4.2139 4.2139 4.6685 4.6685 5.6193 5.6193 5.7626 5.7626 14.5845 14.5845 16.3844 16.3844 17.7306 17.7306 19.9922 19.9922 k = 0.5262 0.1533-0.9436 ( 3831 PWs) bands (ev): -36.3078 -36.3078 -10.4363 -10.4363 -9.8012 -9.8012 0.5393 0.5393 1.1387 1.1387 4.2150 4.2150 4.6684 4.6684 5.6181 5.6181 5.7545 5.7545 14.5947 14.5947 16.3851 16.3851 17.7350 17.7350 19.9830 19.9830 k = 0.5392 0.1571-0.9362 ( 3831 PWs) bands (ev): -36.3078 -36.3078 -10.4357 -10.4357 -9.8030 -9.8030 0.5409 0.5409 1.1452 1.1452 4.2168 4.2168 4.6684 4.6684 5.6161 5.6161 5.7412 5.7412 14.6116 14.6116 16.3862 16.3862 17.7423 17.7423 19.9678 19.9678 k = 0.5523 0.1609-0.9288 ( 3827 PWs) bands (ev): -36.3078 -36.3078 -10.4350 -10.4350 -9.8054 -9.8054 0.5432 0.5432 1.1543 1.1543 4.2193 4.2193 4.6685 4.6685 5.6133 5.6133 5.7226 5.7226 14.6351 14.6351 16.3878 16.3878 17.7527 17.7527 19.9466 19.9466 k = 0.5654 0.1647-0.9213 ( 3829 PWs) bands (ev): -36.3078 -36.3078 -10.4341 -10.4341 -9.8086 -9.8086 0.5461 0.5461 1.1659 1.1659 4.2225 4.2225 4.6685 4.6685 5.6096 5.6096 5.6991 5.6991 14.6651 14.6651 16.3898 16.3898 17.7660 17.7660 19.9197 19.9197 k = 0.5785 0.1685-0.9139 ( 3827 PWs) bands (ev): -36.3079 -36.3079 -10.4330 -10.4330 -9.8123 -9.8123 0.5496 0.5496 1.1800 1.1800 4.2264 4.2264 4.6686 4.6686 5.6050 5.6050 5.6710 5.6710 14.7014 14.7014 16.3922 16.3922 17.7822 17.7822 19.8872 19.8872 k = 0.5916 0.1723-0.9065 ( 3831 PWs) bands (ev): -36.3079 -36.3079 -10.4319 -10.4319 -9.8166 -9.8166 0.5538 0.5538 1.1964 1.1964 4.2309 4.2309 4.6688 4.6688 5.5987 5.5987 5.6390 5.6390 14.7437 14.7437 16.3949 16.3949 17.8016 17.8016 19.8494 19.8494 k = 0.6046 0.1761-0.8991 ( 3832 PWs) bands (ev): -36.3079 -36.3079 -10.4307 -10.4307 -9.8214 -9.8214 0.5587 0.5587 1.2151 1.2151 4.2362 4.2362 4.6691 4.6691 5.5862 5.5862 5.6082 5.6082 14.7919 14.7919 16.3981 16.3981 17.8239 17.8239 19.8065 19.8065 k = 0.6177 0.1799-0.8917 ( 3834 PWs) bands (ev): -36.3080 -36.3080 -10.4294 -10.4294 -9.8267 -9.8267 0.5643 0.5643 1.2360 1.2360 4.2420 4.2420 4.6695 4.6695 5.5526 5.5526 5.5936 5.5936 14.8456 14.8456 16.4017 16.4017 17.8492 17.8492 19.7588 19.7588 k = 0.6308 0.1837-0.8843 ( 3834 PWs) bands (ev): -36.3080 -36.3080 -10.4282 -10.4282 -9.8323 -9.8323 0.5705 0.5705 1.2590 1.2590 4.2484 4.2484 4.6701 4.6701 5.5082 5.5082 5.5853 5.5853 14.9045 14.9045 16.4057 16.4057 17.8776 17.8776 19.7065 19.7065 k = 0.6439 0.1875-0.8769 ( 3834 PWs) bands (ev): -36.3081 -36.3081 -10.4272 -10.4272 -9.8382 -9.8382 0.5774 0.5774 1.2839 1.2839 4.2555 4.2555 4.6708 4.6708 5.4593 5.4593 5.5775 5.5775 14.9683 14.9683 16.4102 16.4102 17.9088 17.9088 19.6499 19.6499 k = 0.6570 0.1914-0.8695 ( 3830 PWs) bands (ev): -36.3081 -36.3081 -10.4263 -10.4263 -9.8443 -9.8443 0.5850 0.5850 1.3106 1.3106 4.2630 4.2630 4.6718 4.6718 5.4068 5.4068 5.5695 5.5695 15.0365 15.0365 16.4152 16.4152 17.9430 17.9430 19.5893 19.5893 k = 0.6570 0.1914-0.8695 ( 3830 PWs) bands (ev): -36.3081 -36.3081 -10.4263 -10.4263 -9.8443 -9.8443 0.5850 0.5850 1.3106 1.3106 4.2630 4.2630 4.6718 4.6718 5.4068 5.4068 5.5695 5.5695 15.0365 15.0365 16.4152 16.4152 17.9430 17.9430 19.5893 19.5893 k = 0.6544 0.1906-0.8541 ( 3830 PWs) bands (ev): -36.3083 -36.3083 -10.4380 -10.4380 -9.8470 -9.8470 0.6006 0.6006 1.3292 1.3292 4.2681 4.2681 4.6878 4.6878 5.3860 5.3860 5.5723 5.5723 15.0586 15.0586 16.4245 16.4245 17.9391 17.9391 19.5502 19.5502 k = 0.6519 0.1899-0.8386 ( 3830 PWs) bands (ev): -36.3085 -36.3085 -10.4534 -10.4534 -9.8490 -9.8490 0.6204 0.6204 1.3509 1.3509 4.2742 4.2742 4.7003 4.7003 5.3677 5.3677 5.5758 5.5758 15.0814 15.0814 16.4364 16.4364 17.9393 17.9393 19.5109 19.5109 k = 0.6494 0.1891-0.8232 ( 3822 PWs) bands (ev): -36.3088 -36.3088 -10.4723 -10.4723 -9.8506 -9.8506 0.6445 0.6445 1.3756 1.3756 4.2814 4.2814 4.7091 4.7091 5.3524 5.3524 5.5800 5.5800 15.1049 15.1049 16.4509 16.4509 17.9435 17.9435 19.4713 19.4713 k = 0.6468 0.1884-0.8077 ( 3820 PWs) bands (ev): -36.3091 -36.3091 -10.4944 -10.4944 -9.8517 -9.8517 0.6727 0.6727 1.4033 1.4033 4.2896 4.2896 4.7137 4.7137 5.3403 5.3403 5.5851 5.5851 15.1291 15.1291 16.4680 16.4680 17.9516 17.9516 19.4317 19.4317 k = 0.6443 0.1877-0.7922 ( 3824 PWs) bands (ev): -36.3094 -36.3094 -10.5194 -10.5194 -9.8528 -9.8528 0.7051 0.7051 1.4338 1.4338 4.2988 4.2988 4.7141 4.7141 5.3317 5.3317 5.5908 5.5908 15.1539 15.1539 16.4875 16.4875 17.9633 17.9633 19.3924 19.3924 k = 0.6418 0.1869-0.7768 ( 3831 PWs) bands (ev): -36.3098 -36.3098 -10.5470 -10.5470 -9.8539 -9.8539 0.7415 0.7415 1.4672 1.4672 4.3091 4.3091 4.7103 4.7103 5.3265 5.3265 5.5973 5.5973 15.1793 15.1793 16.5093 16.5093 17.9785 17.9785 19.3536 19.3536 k = 0.6392 0.1862-0.7613 ( 3835 PWs) bands (ev): -36.3103 -36.3103 -10.5770 -10.5770 -9.8552 -9.8552 0.7818 0.7818 1.5034 1.5034 4.3204 4.3204 4.7025 4.7025 5.3246 5.3246 5.6045 5.6045 15.2053 15.2053 16.5333 16.5333 17.9967 17.9967 19.3157 19.3157 k = 0.6367 0.1855-0.7459 ( 3839 PWs) bands (ev): -36.3107 -36.3107 -10.6092 -10.6092 -9.8569 -9.8569 0.8260 0.8260 1.5421 1.5421 4.3327 4.3327 4.6911 4.6911 5.3258 5.3258 5.6123 5.6123 15.2319 15.2319 16.5591 16.5591 18.0176 18.0176 19.2793 19.2793 k = 0.6342 0.1847-0.7304 ( 3841 PWs) bands (ev): -36.3112 -36.3112 -10.6433 -10.6433 -9.8590 -9.8590 0.8740 0.8740 1.5834 1.5834 4.3459 4.3459 4.6765 4.6765 5.3296 5.3296 5.6209 5.6209 15.2590 15.2590 16.5866 16.5866 18.0405 18.0405 19.2449 19.2449 k = 0.6316 0.1840-0.7149 ( 3842 PWs) bands (ev): -36.3118 -36.3118 -10.6790 -10.6790 -9.8618 -9.8618 0.9256 0.9256 1.6270 1.6270 4.3601 4.3601 4.6592 4.6592 5.3357 5.3357 5.6300 5.6300 15.2867 15.2867 16.6154 16.6154 18.0649 18.0649 19.2135 19.2135 k = 0.6291 0.1832-0.6995 ( 3839 PWs) bands (ev): -36.3123 -36.3123 -10.7163 -10.7163 -9.8652 -9.8652 0.9807 0.9807 1.6729 1.6729 4.3753 4.3753 4.6399 4.6399 5.3435 5.3435 5.6398 5.6398 15.3150 15.3150 16.6452 16.6452 18.0898 18.0898 19.1860 19.1860 k = 0.6266 0.1825-0.6840 ( 3845 PWs) bands (ev): -36.3129 -36.3129 -10.7548 -10.7548 -9.8693 -9.8693 1.0393 1.0393 1.7209 1.7209 4.3913 4.3913 4.6191 4.6191 5.3526 5.3526 5.6502 5.6502 15.3437 15.3437 16.6754 16.6754 18.1143 18.1143 19.1636 19.1636 k = 0.6241 0.1818-0.6686 ( 3848 PWs) bands (ev): -36.3136 -36.3136 -10.7944 -10.7944 -9.8741 -9.8741 1.1011 1.1011 1.7709 1.7709 4.4083 4.4083 4.5972 4.5972 5.3628 5.3628 5.6612 5.6612 15.3728 15.3728 16.7055 16.7055 18.1372 18.1372 19.1477 19.1477 k = 0.6215 0.1810-0.6531 ( 3842 PWs) bands (ev): -36.3142 -36.3142 -10.8350 -10.8350 -9.8798 -9.8798 1.1660 1.1660 1.8226 1.8226 4.4260 4.4260 4.5748 4.5748 5.3737 5.3737 5.6726 5.6726 15.4024 15.4024 16.7349 16.7349 18.1576 18.1576 19.1397 19.1397 k = 0.6190 0.1803-0.6377 ( 3842 PWs) bands (ev): -36.3149 -36.3149 -10.8764 -10.8764 -9.8862 -9.8862 1.2339 1.2339 1.8759 1.8759 4.4446 4.4446 4.5525 4.5525 5.3849 5.3849 5.6847 5.6847 15.4322 15.4322 16.7629 16.7629 18.1746 18.1746 19.1410 19.1410 k = 0.6165 0.1796-0.6222 ( 3840 PWs) bands (ev): -36.3156 -36.3156 -10.9185 -10.9185 -9.8934 -9.8934 1.3046 1.3046 1.9306 1.9306 4.4636 4.4636 4.5307 4.5307 5.3963 5.3963 5.6971 5.6971 15.4624 15.4624 16.7884 16.7884 18.1876 18.1876 19.1526 19.1526 k = 0.6139 0.1788-0.6067 ( 3843 PWs) bands (ev): -36.3164 -36.3164 -10.9611 -10.9611 -9.9013 -9.9013 1.3779 1.3779 1.9865 1.9865 4.4821 4.4821 4.5111 4.5111 5.4078 5.4078 5.7101 5.7101 15.4926 15.4926 16.8106 16.8106 18.1967 18.1967 19.1753 19.1753 k = 0.6114 0.1781-0.5913 ( 3841 PWs) bands (ev): -36.3171 -36.3171 -11.0042 -11.0042 -9.9100 -9.9100 1.4536 1.4536 2.0433 2.0433 4.4837 4.4837 4.5101 4.5101 5.4191 5.4191 5.7235 5.7235 15.5229 15.5229 16.8283 16.8283 18.2024 18.2024 19.2090 19.2090 k = 0.6089 0.1773-0.5758 ( 3841 PWs) bands (ev): -36.3179 -36.3179 -11.0475 -11.0475 -9.9195 -9.9195 1.5315 1.5315 2.1008 2.1008 4.4670 4.4670 4.5296 4.5296 5.4301 5.4301 5.7372 5.7372 15.5530 15.5530 16.8405 16.8405 18.2061 18.2061 19.2533 19.2534 k = 0.6063 0.1766-0.5604 ( 3843 PWs) bands (ev): -36.3187 -36.3187 -11.0911 -11.0911 -9.9296 -9.9296 1.6114 1.6114 2.1588 2.1588 4.4504 4.4504 4.5517 4.5517 5.4408 5.4408 5.7513 5.7513 15.5828 15.5828 16.8460 16.8460 18.2092 18.2092 19.3075 19.3075 k = 0.6038 0.1759-0.5449 ( 3840 PWs) bands (ev): -36.3195 -36.3195 -11.1348 -11.1348 -9.9403 -9.9403 1.6929 1.6929 2.2171 2.2171 4.4358 4.4358 4.5747 4.5747 5.4512 5.4512 5.7657 5.7657 15.6119 15.6119 16.8437 16.8437 18.2133 18.2133 19.3704 19.3704 k = 0.6013 0.1751-0.5295 ( 3835 PWs) bands (ev): -36.3204 -36.3204 -11.1785 -11.1785 -9.9516 -9.9516 1.7759 1.7759 2.2753 2.2753 4.4236 4.4236 4.5985 4.5985 5.4610 5.4610 5.7804 5.7804 15.6401 15.6401 16.8330 16.8330 18.2197 18.2197 19.4411 19.4411 k = 0.5987 0.1744-0.5140 ( 3841 PWs) bands (ev): -36.3212 -36.3212 -11.2221 -11.2221 -9.9635 -9.9635 1.8598 1.8598 2.3333 2.3333 4.4145 4.4145 4.6229 4.6229 5.4705 5.4705 5.7954 5.7954 15.6671 15.6671 16.8134 16.8134 18.2293 18.2293 19.5184 19.5184 k = 0.5962 0.1737-0.4985 ( 3844 PWs) bands (ev): -36.3221 -36.3221 -11.2655 -11.2655 -9.9758 -9.9758 1.9443 1.9443 2.3910 2.3910 4.4087 4.4087 4.6478 4.6478 5.4794 5.4794 5.8105 5.8105 15.6924 15.6924 16.7849 16.7849 18.2425 18.2425 19.6013 19.6013 k = 0.5937 0.1729-0.4831 ( 3840 PWs) bands (ev): -36.3230 -36.3230 -11.3087 -11.3087 -9.9886 -9.9886 2.0289 2.0289 2.4482 2.4482 4.4068 4.4068 4.6733 4.6733 5.4878 5.4878 5.8258 5.8258 15.7155 15.7155 16.7479 16.7479 18.2591 18.2591 19.6889 19.6889 k = 0.5911 0.1722-0.4676 ( 3844 PWs) bands (ev): -36.3238 -36.3238 -11.3515 -11.3515 -10.0018 -10.0018 2.1127 2.1127 2.5052 2.5052 4.4090 4.4090 4.6993 4.6993 5.4957 5.4957 5.8412 5.8412 15.7359 15.7359 16.7032 16.7032 18.2786 18.2786 19.7800 19.7800 k = 0.5886 0.1714-0.4522 ( 3842 PWs) bands (ev): -36.3247 -36.3247 -11.3940 -11.3940 -10.0154 -10.0154 2.1948 2.1948 2.5623 2.5623 4.4158 4.4158 4.7257 4.7257 5.5032 5.5032 5.8567 5.8567 15.7527 15.7527 16.6517 16.6517 18.3000 18.3000 19.8722 19.8722 k = 0.5861 0.1707-0.4367 ( 3838 PWs) bands (ev): -36.3256 -36.3256 -11.4359 -11.4359 -10.0292 -10.0292 2.2740 2.2740 2.6201 2.6201 4.4276 4.4276 4.7525 4.7525 5.5101 5.5101 5.8723 5.8723 15.7652 15.7652 16.5949 16.5949 18.3222 18.3222 19.9485 19.9485 k = 0.5835 0.1700-0.4213 ( 3841 PWs) bands (ev): -36.3265 -36.3265 -11.4773 -11.4773 -10.0432 -10.0432 2.3486 2.3486 2.6797 2.6797 4.4444 4.4444 4.7796 4.7796 5.5166 5.5166 5.8878 5.8878 15.7724 15.7724 16.5341 16.5341 18.3441 18.3441 19.9637 19.9637 k = 0.5810 0.1692-0.4058 ( 3839 PWs) bands (ev): -36.3274 -36.3274 -11.5181 -11.5181 -10.0574 -10.0574 2.4170 2.4170 2.7424 2.7424 4.4667 4.4667 4.8069 4.8069 5.5227 5.5227 5.9033 5.9033 15.7729 15.7729 16.4712 16.4712 18.3647 18.3647 19.9688 19.9688 k = 0.5785 0.1685-0.3903 ( 3841 PWs) bands (ev): -36.3283 -36.3283 -11.5582 -11.5582 -10.0718 -10.0718 2.4775 2.4775 2.8094 2.8094 4.4943 4.4943 4.8345 4.8345 5.5284 5.5284 5.9187 5.9187 15.7653 15.7653 16.4078 16.4078 18.3834 18.3834 19.9828 19.9828 k = 0.5760 0.1678-0.3749 ( 3841 PWs) bands (ev): -36.3292 -36.3292 -11.5976 -11.5976 -10.0862 -10.0862 2.5290 2.5290 2.8815 2.8815 4.5274 4.5274 4.8623 4.8623 5.5338 5.5338 5.9340 5.9340 15.7483 15.7483 16.3459 16.3459 18.3998 18.3998 20.0081 20.0081 k = 0.5734 0.1670-0.3594 ( 3841 PWs) bands (ev): -36.3301 -36.3301 -11.6362 -11.6362 -10.1006 -10.1006 2.5717 2.5717 2.9584 2.9584 4.5657 4.5657 4.8901 4.8901 5.5389 5.5389 5.9491 5.9491 15.7203 15.7203 16.2871 16.2871 18.4140 18.4140 20.0452 20.0452 k = 0.5709 0.1663-0.3440 ( 3841 PWs) bands (ev): -36.3310 -36.3310 -11.6739 -11.6739 -10.1150 -10.1150 2.6060 2.6060 3.0394 3.0394 4.6091 4.6091 4.9180 4.9180 5.5437 5.5437 5.9639 5.9639 15.6805 15.6805 16.2325 16.2325 18.4262 18.4262 20.0938 20.0938 k = 0.5684 0.1655-0.3285 ( 3841 PWs) bands (ev): -36.3318 -36.3318 -11.7107 -11.7107 -10.1294 -10.1294 2.6331 2.6331 3.1234 3.1234 4.6571 4.6571 4.9459 4.9459 5.5484 5.5484 5.9786 5.9786 15.6290 15.6290 16.1827 16.1827 18.4373 18.4373 20.1534 20.1534 k = 0.5658 0.1648-0.3131 ( 3841 PWs) bands (ev): -36.3327 -36.3327 -11.7466 -11.7466 -10.1436 -10.1436 2.6539 2.6539 3.2094 3.2094 4.7094 4.7094 4.9737 4.9737 5.5531 5.5531 5.9929 5.9929 15.5667 15.5667 16.1368 16.1368 18.4478 18.4478 20.2231 20.2231 k = 0.5633 0.1641-0.2976 ( 3839 PWs) bands (ev): -36.3335 -36.3335 -11.7815 -11.7815 -10.1576 -10.1576 2.6696 2.6696 3.2965 3.2965 4.7653 4.7653 5.0014 5.0014 5.5578 5.5578 6.0069 6.0069 15.4952 15.4952 16.0938 16.0938 18.4586 18.4586 20.3021 20.3021 k = 0.5608 0.1633-0.2821 ( 3839 PWs) bands (ev): -36.3344 -36.3344 -11.8153 -11.8153 -10.1715 -10.1715 2.6807 2.6807 3.3840 3.3840 4.8243 4.8243 5.0288 5.0288 5.5627 5.5627 6.0205 6.0205 15.4164 15.4164 16.0521 16.0521 18.4704 18.4704 20.3892 20.3892 k = 0.5582 0.1626-0.2667 ( 3835 PWs) bands (ev): -36.3352 -36.3352 -11.8481 -11.8481 -10.1850 -10.1850 2.6882 2.6882 3.4714 3.4714 4.8856 4.8856 5.0560 5.0560 5.5680 5.5680 6.0337 6.0337 15.3324 15.3324 16.0106 16.0106 18.4837 18.4837 20.4835 20.4835 k = 0.5557 0.1619-0.2512 ( 3843 PWs) bands (ev): -36.3360 -36.3360 -11.8797 -11.8797 -10.1983 -10.1983 2.6926 2.6926 3.5581 3.5581 4.9484 4.9484 5.0828 5.0828 5.5741 5.5741 6.0465 6.0465 15.2446 15.2446 15.9684 15.9684 18.4989 18.4989 20.5841 20.5841 k = 0.5532 0.1611-0.2358 ( 3848 PWs) bands (ev): -36.3367 -36.3367 -11.9102 -11.9102 -10.2113 -10.2113 2.6944 2.6944 3.6437 3.6437 5.0119 5.0119 5.1092 5.1092 5.5812 5.5812 6.0588 6.0588 15.1543 15.1543 15.9249 15.9249 18.5163 18.5163 20.6899 20.6899 k = 0.5506 0.1604-0.2203 ( 3848 PWs) bands (ev): -36.3375 -36.3375 -11.9395 -11.9395 -10.2239 -10.2239 2.6941 2.6941 3.7279 3.7279 5.0749 5.0749 5.1351 5.1351 5.5899 5.5899 6.0707 6.0707 15.0627 15.0627 15.8799 15.8799 18.5359 18.5359 20.8000 20.8000 k = 0.5481 0.1596-0.2049 ( 3850 PWs) bands (ev): -36.3382 -36.3382 -11.9676 -11.9676 -10.2361 -10.2361 2.6921 2.6921 3.8103 3.8103 5.1363 5.1363 5.1604 5.1604 5.6009 5.6009 6.0820 6.0820 14.9707 14.9707 15.8335 15.8335 18.5576 18.5576 20.9134 20.9134 k = 0.5456 0.1589-0.1894 ( 3847 PWs) bands (ev): -36.3389 -36.3389 -11.9944 -11.9944 -10.2479 -10.2479 2.6886 2.6886 3.8907 3.8907 5.1849 5.1849 5.1947 5.1947 5.6151 5.6151 6.0927 6.0927 14.8791 14.8791 15.7858 15.7858 18.5813 18.5813 21.0291 21.0291 k = 0.5430 0.1582-0.1739 ( 3849 PWs) bands (ev): -36.3395 -36.3395 -12.0199 -12.0199 -10.2592 -10.2592 2.6841 2.6841 3.9688 3.9688 5.2089 5.2089 5.2480 5.2480 5.6338 5.6338 6.1029 6.1029 14.7885 14.7885 15.7373 15.7373 18.6066 18.6066 21.1458 21.1458 k = 0.5405 0.1574-0.1585 ( 3843 PWs) bands (ev): -36.3402 -36.3402 -12.0441 -12.0441 -10.2700 -10.2700 2.6788 2.6788 4.0444 4.0444 5.2320 5.2320 5.2948 5.2948 5.6582 5.6582 6.1126 6.1126 14.6995 14.6995 15.6883 15.6883 18.6332 18.6332 21.2622 21.2622 k = 0.5380 0.1567-0.1430 ( 3847 PWs) bands (ev): -36.3408 -36.3408 -12.0670 -12.0670 -10.2803 -10.2803 2.6729 2.6729 4.1171 4.1171 5.2543 5.2543 5.3338 5.3338 5.6890 5.6890 6.1216 6.1216 14.6128 14.6128 15.6392 15.6392 18.6608 18.6608 21.3762 21.3762 k = 0.5354 0.1560-0.1276 ( 3845 PWs) bands (ev): -36.3413 -36.3413 -12.0885 -12.0885 -10.2900 -10.2900 2.6667 2.6667 4.1867 4.1867 5.2755 5.2755 5.3645 5.3645 5.7262 5.7262 6.1300 6.1300 14.5287 14.5287 15.5906 15.5906 18.6889 18.6889 21.4854 21.4854 k = 0.5329 0.1552-0.1121 ( 3845 PWs) bands (ev): -36.3419 -36.3419 -12.1086 -12.1086 -10.2992 -10.2992 2.6602 2.6602 4.2530 4.2530 5.2957 5.2957 5.3875 5.3875 5.7688 5.7688 6.1379 6.1379 14.4479 14.4479 15.5429 15.5429 18.7171 18.7171 21.5868 21.5868 k = 0.5304 0.1545-0.0966 ( 3836 PWs) bands (ev): -36.3424 -36.3424 -12.1273 -12.1273 -10.3078 -10.3078 2.6538 2.6538 4.3157 4.3157 5.3148 5.3148 5.4042 5.4042 5.8149 5.8149 6.1451 6.1451 14.3708 14.3708 15.4967 15.4967 18.7451 18.7451 21.6774 21.6774 k = 0.5278 0.1537-0.0812 ( 3838 PWs) bands (ev): -36.3429 -36.3429 -12.1446 -12.1446 -10.3158 -10.3158 2.6474 2.6474 4.3747 4.3747 5.3326 5.3326 5.4159 5.4159 5.8627 5.8627 6.1517 6.1517 14.2978 14.2978 15.4523 15.4523 18.7723 18.7723 21.7554 21.7554 k = 0.5253 0.1530-0.0657 ( 3838 PWs) bands (ev): -36.3433 -36.3433 -12.1604 -12.1604 -10.3231 -10.3231 2.6412 2.6412 4.4297 4.4297 5.3491 5.3491 5.4241 5.4241 5.9104 5.9104 6.1578 6.1578 14.2294 14.2294 15.4102 15.4102 18.7986 18.7986 21.8208 21.8208 k = 0.5228 0.1523-0.0503 ( 3838 PWs) bands (ev): -36.3437 -36.3437 -12.1748 -12.1748 -10.3298 -10.3298 2.6354 2.6354 4.4804 4.4804 5.3642 5.3642 5.4296 5.4296 5.9566 5.9566 6.1633 6.1633 14.1660 14.1660 15.3709 15.3709 18.8234 18.8234 21.8748 21.8748 k = 0.5203 0.1515-0.0348 ( 3838 PWs) bands (ev): -36.3440 -36.3440 -12.1877 -12.1877 -10.3358 -10.3358 2.6299 2.6299 4.5266 4.5266 5.3778 5.3778 5.4333 5.4333 6.0003 6.0003 6.1682 6.1682 14.1081 14.1081 15.3346 15.3346 18.8465 18.8465 21.9195 21.9195 k = 0.5177 0.1508-0.0194 ( 3836 PWs) bands (ev): -36.3443 -36.3443 -12.1991 -12.1991 -10.3412 -10.3412 2.6249 2.6249 4.5681 4.5681 5.3898 5.3898 5.4357 5.4357 6.0405 6.0405 6.1726 6.1726 14.0559 14.0559 15.3018 15.3018 18.8676 18.8676 21.9564 21.9564 k = 0.5152 0.1501-0.0039 ( 3836 PWs) bands (ev): -36.3446 -36.3446 -12.2090 -12.2090 -10.3458 -10.3458 2.6205 2.6205 4.6047 4.6047 5.4000 5.4000 5.4374 5.4374 6.0765 6.0765 6.1766 6.1766 14.0100 14.0100 15.2727 15.2727 18.8864 18.8864 21.9867 21.9867 k = 0.5127 0.1493 0.0116 ( 3838 PWs) bands (ev): -36.3448 -36.3448 -12.2174 -12.2174 -10.3498 -10.3498 2.6167 2.6167 4.6362 4.6362 5.4082 5.4082 5.4388 5.4388 6.1074 6.1074 6.1803 6.1803 13.9705 13.9705 15.2476 15.2476 18.9027 18.9027 22.0113 22.0113 k = 0.5101 0.1486 0.0270 ( 3836 PWs) bands (ev): -36.3450 -36.3450 -12.2243 -12.2243 -10.3531 -10.3531 2.6135 2.6135 4.6622 4.6622 5.4144 5.4144 5.4402 5.4402 6.1328 6.1328 6.1839 6.1839 13.9377 13.9377 15.2268 15.2268 18.9163 18.9163 22.0308 22.0308 k = 0.5076 0.1478 0.0425 ( 3831 PWs) bands (ev): -36.3452 -36.3452 -12.2297 -12.2297 -10.3556 -10.3556 2.6110 2.6110 4.6827 4.6827 5.4186 5.4186 5.4418 5.4418 6.1518 6.1518 6.1879 6.1879 13.9120 13.9120 15.2104 15.2104 18.9271 18.9271 22.0456 22.0456 k = 0.5051 0.1471 0.0579 ( 3829 PWs) bands (ev): -36.3453 -36.3453 -12.2335 -12.2335 -10.3574 -10.3574 2.6091 2.6091 4.6975 4.6975 5.4211 5.4211 5.4433 5.4433 6.1639 6.1639 6.1923 6.1923 13.8935 13.8935 15.1986 15.1986 18.9349 18.9349 22.0560 22.0560 k = 0.5025 0.1464 0.0734 ( 3829 PWs) bands (ev): -36.3453 -36.3453 -12.2358 -12.2358 -10.3585 -10.3585 2.6080 2.6080 4.7064 4.7064 5.4223 5.4223 5.4444 5.4444 6.1699 6.1699 6.1963 6.1963 13.8824 13.8824 15.1915 15.1915 18.9396 18.9396 22.0621 22.0621 k = 0.5000 0.1456 0.0888 ( 3832 PWs) bands (ev): -36.3454 -36.3454 -12.2366 -12.2366 -10.3589 -10.3589 2.6077 2.6077 4.7094 4.7094 5.4226 5.4226 5.4448 5.4448 6.1716 6.1716 6.1979 6.1979 13.8786 13.8786 15.1891 15.1891 18.9411 18.9411 22.0642 22.0642 k = 0.5000-0.7855-0.4792 ( 3800 PWs) bands (ev): -36.3078 -36.3078 -10.3459 -10.3459 -9.9196 -9.9196 0.6634 0.6634 1.7530 1.7530 4.3986 4.3986 4.4885 4.4885 4.5261 4.5261 5.3741 5.3741 15.9894 15.9894 17.5388 17.5388 17.5438 17.5438 19.7499 19.7499 k = 0.5136-0.7792-0.4753 ( 3803 PWs) bands (ev): -36.3078 -36.3078 -10.3461 -10.3461 -9.9194 -9.9194 0.6631 0.6631 1.7516 1.7516 4.3981 4.3981 4.4866 4.4866 4.5312 4.5312 5.3747 5.3747 15.9885 15.9885 17.4461 17.4461 17.6360 17.6360 19.7381 19.7381 k = 0.5273-0.7728-0.4715 ( 3808 PWs) bands (ev): -36.3078 -36.3078 -10.3467 -10.3467 -9.9188 -9.9188 0.6622 0.6622 1.7472 1.7472 4.3967 4.3967 4.4830 4.4830 4.5442 4.5442 5.3765 5.3765 15.9858 15.9858 17.3509 17.3509 17.7295 17.7295 19.7054 19.7054 k = 0.5409-0.7665-0.4676 ( 3810 PWs) bands (ev): -36.3078 -36.3078 -10.3476 -10.3476 -9.9179 -9.9179 0.6607 0.6607 1.7400 1.7400 4.3945 4.3945 4.4804 4.4804 4.5625 4.5625 5.3795 5.3795 15.9811 15.9811 17.2565 17.2565 17.8211 17.8211 19.6573 19.6573 k = 0.5546-0.7602-0.4637 ( 3810 PWs) bands (ev): -36.3078 -36.3078 -10.3489 -10.3489 -9.9166 -9.9166 0.6586 0.6586 1.7302 1.7302 4.3914 4.3914 4.4796 4.4796 4.5849 4.5849 5.3836 5.3836 15.9742 15.9742 17.1636 17.1636 17.9102 17.9102 19.5994 19.5994 k = 0.5682-0.7538-0.4599 ( 3809 PWs) bands (ev): -36.3078 -36.3078 -10.3505 -10.3505 -9.9149 -9.9149 0.6560 0.6560 1.7177 1.7177 4.3875 4.3875 4.4809 4.4809 4.6110 4.6110 5.3888 5.3888 15.9645 15.9645 17.0729 17.0729 17.9959 17.9959 19.5359 19.5359 k = 0.5819-0.7475-0.4560 ( 3814 PWs) bands (ev): -36.3078 -36.3078 -10.3525 -10.3525 -9.9129 -9.9129 0.6530 0.6530 1.7029 1.7029 4.3829 4.3829 4.4843 4.4843 4.6404 4.6404 5.3950 5.3950 15.9516 15.9516 16.9853 16.9853 18.0773 18.0773 19.4700 19.4700 k = 0.5955-0.7412-0.4521 ( 3822 PWs) bands (ev): -36.3078 -36.3078 -10.3549 -10.3549 -9.9106 -9.9106 0.6494 0.6494 1.6859 1.6859 4.3777 4.3777 4.4895 4.4895 4.6730 4.6730 5.4021 5.4021 15.9347 15.9347 16.9020 16.9020 18.1530 18.1530 19.4046 19.4046 k = 0.6092-0.7349-0.4483 ( 3830 PWs) bands (ev): -36.3078 -36.3078 -10.3576 -10.3576 -9.9080 -9.9080 0.6455 0.6455 1.6670 1.6670 4.3718 4.3718 4.4966 4.4966 4.7085 4.7085 5.4101 5.4101 15.9130 15.9130 16.8239 16.8239 18.2215 18.2215 19.3423 19.3423 k = 0.6228-0.7285-0.4444 ( 3826 PWs) bands (ev): -36.3078 -36.3078 -10.3605 -10.3605 -9.9050 -9.9050 0.6413 0.6413 1.6464 1.6464 4.3655 4.3655 4.5052 4.5052 4.7466 4.7466 5.4189 5.4189 15.8857 15.8857 16.7521 16.7521 18.2807 18.2807 19.2861 19.2861 k = 0.6365-0.7222-0.4406 ( 3826 PWs) bands (ev): -36.3079 -36.3079 -10.3638 -10.3638 -9.9018 -9.9018 0.6368 0.6368 1.6243 1.6243 4.3586 4.3586 4.5152 4.5152 4.7873 4.7873 5.4284 5.4284 15.8521 15.8521 16.6878 16.6878 18.3278 18.3278 19.2391 19.2391 k = 0.6501-0.7159-0.4367 ( 3824 PWs) bands (ev): -36.3079 -36.3079 -10.3674 -10.3674 -9.8984 -9.8984 0.6321 0.6321 1.6011 1.6011 4.3514 4.3514 4.5264 4.5264 4.8300 4.8300 5.4384 5.4384 15.8115 15.8115 16.6315 16.6315 18.3600 18.3600 19.2050 19.2050 k = 0.6638-0.7095-0.4328 ( 3824 PWs) bands (ev): -36.3079 -36.3079 -10.3712 -10.3712 -9.8946 -9.8946 0.6272 0.6272 1.5769 1.5769 4.3440 4.3440 4.5385 4.5385 4.8747 4.8747 5.4489 5.4489 15.7640 15.7640 16.5837 16.5837 18.3750 18.3750 19.1865 19.1865 k = 0.6774-0.7032-0.4290 ( 3826 PWs) bands (ev): -36.3079 -36.3079 -10.3753 -10.3753 -9.8907 -9.8907 0.6223 0.6223 1.5520 1.5520 4.3363 4.3363 4.5513 4.5513 4.9210 4.9210 5.4598 5.4598 15.7100 15.7100 16.5441 16.5441 18.3719 18.3719 19.1848 19.1848 k = 0.6911-0.6969-0.4251 ( 3831 PWs) bands (ev): -36.3079 -36.3079 -10.3796 -10.3796 -9.8866 -9.8866 0.6174 0.6174 1.5266 1.5266 4.3284 4.3284 4.5646 4.5646 4.9686 4.9686 5.4710 5.4710 15.6502 15.6502 16.5120 16.5120 18.3524 18.3524 19.1989 19.1989 k = 0.7047-0.6905-0.4212 ( 3831 PWs) bands (ev): -36.3079 -36.3079 -10.3841 -10.3841 -9.8823 -9.8823 0.6126 0.6126 1.5010 1.5010 4.3205 4.3205 4.5782 4.5782 5.0172 5.0172 5.4823 5.4823 15.5858 15.5858 16.4867 16.4867 18.3197 18.3197 19.2257 19.2257 k = 0.7184-0.6842-0.4174 ( 3825 PWs) bands (ev): -36.3079 -36.3079 -10.3888 -10.3888 -9.8778 -9.8778 0.6080 0.6080 1.4753 1.4753 4.3126 4.3126 4.5919 4.5919 5.0665 5.0665 5.4937 5.4937 15.5180 15.5180 16.4669 16.4669 18.2779 18.2779 19.2618 19.2618 k = 0.7320-0.6779-0.4135 ( 3820 PWs) bands (ev): -36.3080 -36.3080 -10.3937 -10.3937 -9.8733 -9.8733 0.6035 0.6035 1.4499 1.4499 4.3048 4.3048 4.6054 4.6054 5.1162 5.1162 5.5052 5.5052 15.4481 15.4481 16.4517 16.4517 18.2304 18.2304 19.3041 19.3041 k = 0.7457-0.6715-0.4097 ( 3816 PWs) bands (ev): -36.3080 -36.3080 -10.3988 -10.3988 -9.8686 -9.8686 0.5994 0.5994 1.4248 1.4248 4.2972 4.2972 4.6185 4.6185 5.1660 5.1660 5.5165 5.5165 15.3771 15.3771 16.4402 16.4402 18.1800 18.1800 19.3501 19.3501 k = 0.7593-0.6652-0.4058 ( 3825 PWs) bands (ev): -36.3080 -36.3080 -10.4041 -10.4041 -9.8638 -9.8638 0.5956 0.5956 1.4002 1.4002 4.2897 4.2897 4.6311 4.6311 5.2157 5.2157 5.5277 5.5277 15.3061 15.3061 16.4316 16.4316 18.1289 18.1289 19.3980 19.3980 k = 0.7730-0.6589-0.4019 ( 3825 PWs) bands (ev): -36.3080 -36.3080 -10.4094 -10.4094 -9.8590 -9.8590 0.5922 0.5922 1.3764 1.3764 4.2825 4.2825 4.6429 4.6429 5.2649 5.2649 5.5387 5.5387 15.2359 15.2359 16.4252 16.4252 18.0787 18.0787 19.4467 19.4467 k = 0.7866-0.6525-0.3981 ( 3825 PWs) bands (ev): -36.3081 -36.3081 -10.4149 -10.4149 -9.8541 -9.8541 0.5893 0.5893 1.3534 1.3534 4.2756 4.2756 4.6537 4.6537 5.3133 5.3133 5.5494 5.5494 15.1671 15.1671 16.4206 16.4206 18.0304 18.0304 19.4951 19.4951 k = 0.8003-0.6462-0.3942 ( 3829 PWs) bands (ev): -36.3081 -36.3081 -10.4205 -10.4205 -9.8492 -9.8492 0.5869 0.5869 1.3314 1.3314 4.2691 4.2691 4.6634 4.6634 5.3607 5.3607 5.5597 5.5597 15.1005 15.1005 16.4174 16.4174 17.9849 17.9849 19.5428 19.5428 k = 0.8139-0.6399-0.3903 ( 3830 PWs) bands (ev): -36.3081 -36.3081 -10.4263 -10.4263 -9.8443 -9.8443 0.5850 0.5850 1.3106 1.3106 4.2630 4.2630 4.6718 4.6718 5.4068 5.4068 5.5695 5.5695 15.0365 15.0365 16.4152 16.4152 17.9430 17.9430 19.5893 19.5893 Writing output data file LiAlO2.save init_run : 0.25s CPU 0.42s WALL ( 1 calls) electrons : 135.02s CPU 136.65s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.04s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 135.02s CPU 136.65s 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 : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.05s WALL ( 432 calls) cegterg : 120.10s CPU 121.24s WALL ( 532 calls) Called by sum_band: Called by *egterg: h_psi : 98.53s CPU 99.74s WALL ( 9131 calls) s_psi : 1.43s CPU 1.45s WALL ( 9131 calls) g_psi : 0.19s CPU 0.14s WALL ( 8167 calls) cdiaghg : 25.99s CPU 26.20s WALL ( 8599 calls) cegterg:over : 2.17s CPU 2.20s WALL ( 8167 calls) cegterg:upda : 1.75s CPU 1.81s WALL ( 8167 calls) cegterg:last : 0.86s CPU 1.00s WALL ( 1467 calls) cdiaghg:chol : 1.40s CPU 1.39s WALL ( 8599 calls) cdiaghg:inve : 0.46s CPU 0.46s WALL ( 8599 calls) cdiaghg:para : 1.74s CPU 1.71s WALL ( 17198 calls) Called by h_psi: h_psi:vloc : 95.08s CPU 96.23s WALL ( 9131 calls) h_psi:vnl : 3.37s CPU 3.44s WALL ( 9131 calls) add_vuspsi : 1.75s CPU 1.72s WALL ( 9131 calls) General routines calbec : 1.60s CPU 1.69s WALL ( 9131 calls) fft : 0.00s CPU 0.01s WALL ( 15 calls) fftw : 90.06s CPU 91.14s WALL ( 504816 calls) davcio : 0.15s CPU 0.15s WALL ( 864 calls) Parallel routines fft_scatter : 21.40s CPU 21.27s WALL ( 504831 calls) PWSCF : 2m27.81s CPU 3m 5.49s WALL This run was terminated on: 19:53:34 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=