Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14:21:15 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: ./Sr2BBrN2.save/ file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 94 57 16 2404 1147 179 Max 95 58 17 2406 1172 183 Sum 3391 2075 601 86585 41751 6515 bravais-lattice index = 14 lattice parameter (alat) = 17.2627 a.u. unit-cell volume = 873.6926 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 4 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 325.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 17.262680 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.898446 celldm(5)= 0.898446 celldm(6)= 0.898446 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.898446 0.439084 0.000000 ) a(3) = ( 0.898446 0.207798 0.386800 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -2.046185 -1.223509 ) b(2) = ( 0.000000 2.277471 -1.223509 ) b(3) = ( 0.000000 0.000000 2.585314 ) PseudoPot. # 1 for Br read from file: /users/gautes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1213 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 B read from file: /users/gautes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c 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 1059 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 Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Br 7.00 79.90400 Br( 1.00) B 3.00 10.81100 B( 1.00) Sr 10.00 87.62000 Sr( 1.00) N 5.00 14.00670 N( 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= 289 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 2) = ( 0.0111111 -0.0227354 -0.0135945), wk = 0.0034602 k( 3) = ( 0.0222222 -0.0454708 -0.0271891), wk = 0.0034602 k( 4) = ( 0.0333333 -0.0682062 -0.0407836), wk = 0.0034602 k( 5) = ( 0.0444444 -0.0909415 -0.0543782), wk = 0.0034602 k( 6) = ( 0.0555556 -0.1136770 -0.0679727), wk = 0.0034602 k( 7) = ( 0.0666667 -0.1364123 -0.0815672), wk = 0.0034602 k( 8) = ( 0.0777778 -0.1591477 -0.0951618), wk = 0.0034602 k( 9) = ( 0.0888889 -0.1818831 -0.1087563), wk = 0.0034602 k( 10) = ( 0.1000000 -0.2046185 -0.1223509), wk = 0.0034602 k( 11) = ( 0.1111111 -0.2273539 -0.1359454), wk = 0.0034602 k( 12) = ( 0.1222222 -0.2500893 -0.1495399), wk = 0.0034602 k( 13) = ( 0.1333333 -0.2728247 -0.1631345), wk = 0.0034602 k( 14) = ( 0.1444444 -0.2955600 -0.1767290), wk = 0.0034602 k( 15) = ( 0.1555556 -0.3182954 -0.1903236), wk = 0.0034602 k( 16) = ( 0.1666667 -0.3410308 -0.2039181), wk = 0.0034602 k( 17) = ( 0.1777778 -0.3637662 -0.2175126), wk = 0.0034602 k( 18) = ( 0.1888889 -0.3865016 -0.2311072), wk = 0.0034602 k( 19) = ( 0.2000000 -0.4092370 -0.2447017), wk = 0.0034602 k( 20) = ( 0.2111111 -0.4319724 -0.2582962), wk = 0.0034602 k( 21) = ( 0.2222222 -0.4547078 -0.2718908), wk = 0.0034602 k( 22) = ( 0.2333333 -0.4774432 -0.2854853), wk = 0.0034602 k( 23) = ( 0.2444444 -0.5001785 -0.2990799), wk = 0.0034602 k( 24) = ( 0.2555556 -0.5229139 -0.3126744), wk = 0.0034602 k( 25) = ( 0.2666667 -0.5456493 -0.3262690), wk = 0.0034602 k( 26) = ( 0.2777778 -0.5683847 -0.3398635), wk = 0.0034602 k( 27) = ( 0.2888889 -0.5911201 -0.3534580), wk = 0.0034602 k( 28) = ( 0.3000000 -0.6138555 -0.3670526), wk = 0.0034602 k( 29) = ( 0.3111111 -0.6365909 -0.3806471), wk = 0.0034602 k( 30) = ( 0.3222222 -0.6593263 -0.3942416), wk = 0.0034602 k( 31) = ( 0.3333333 -0.6820617 -0.4078362), wk = 0.0034602 k( 32) = ( 0.3444444 -0.7047970 -0.4214307), wk = 0.0034602 k( 33) = ( 0.3555556 -0.7275324 -0.4350253), wk = 0.0034602 k( 34) = ( 0.3666667 -0.7502678 -0.4486198), wk = 0.0034602 k( 35) = ( 0.3777778 -0.7730032 -0.4622143), wk = 0.0034602 k( 36) = ( 0.3888889 -0.7957386 -0.4758089), wk = 0.0034602 k( 37) = ( 0.4000000 -0.8184740 -0.4894034), wk = 0.0034602 k( 38) = ( 0.4111111 -0.8412094 -0.5029980), wk = 0.0034602 k( 39) = ( 0.4222222 -0.8639448 -0.5165925), wk = 0.0034602 k( 40) = ( 0.4333333 -0.8866801 -0.5301870), wk = 0.0034602 k( 41) = ( 0.4444444 -0.9094155 -0.5437816), wk = 0.0034602 k( 42) = ( 0.4555556 -0.9321509 -0.5573761), wk = 0.0034602 k( 43) = ( 0.4666667 -0.9548863 -0.5709707), wk = 0.0034602 k( 44) = ( 0.4777778 -0.9776217 -0.5845652), wk = 0.0034602 k( 45) = ( 0.4888889 -1.0003571 -0.5981597), wk = 0.0034602 k( 46) = ( 0.5000000 -1.0230925 -0.6117543), wk = 0.0034602 k( 47) = ( 0.5000000 -1.0230925 -0.6117543), wk = 0.0034602 k( 48) = ( 0.5000000 -1.0085517 -0.6360722), wk = 0.0034602 k( 49) = ( 0.5000000 -0.9940108 -0.6603902), wk = 0.0034602 k( 50) = ( 0.5000000 -0.9794700 -0.6847081), wk = 0.0034602 k( 51) = ( 0.5000000 -0.9649292 -0.7090261), wk = 0.0034602 k( 52) = ( 0.5000000 -0.9503884 -0.7333440), wk = 0.0034602 k( 53) = ( 0.5000000 -0.9358475 -0.7576619), wk = 0.0034602 k( 54) = ( 0.5000000 -0.9213067 -0.7819799), wk = 0.0034602 k( 55) = ( 0.5000000 -0.9067659 -0.8062979), wk = 0.0034602 k( 56) = ( 0.5000000 -0.8922251 -0.8306158), wk = 0.0034602 k( 57) = ( 0.5000000 -0.8776842 -0.8549337), wk = 0.0034602 k( 58) = ( 0.5000000 -0.8631434 -0.8792517), wk = 0.0034602 k( 59) = ( 0.5000000 -0.8486026 -0.9035696), wk = 0.0034602 k( 60) = ( 0.5000000 -0.8340618 -0.9278876), wk = 0.0034602 k( 61) = ( 0.5000000 -0.8195209 -0.9522055), wk = 0.0034602 k( 62) = ( 0.5000000 -0.8049801 -0.9765235), wk = 0.0034602 k( 63) = ( 0.5000000 -0.7904393 -1.0008414), wk = 0.0034602 k( 64) = ( 0.5000000 -0.7758985 -1.0251594), wk = 0.0034602 k( 65) = ( 0.5000000 -0.7613576 -1.0494773), wk = 0.0034602 k( 66) = ( 0.5000000 -0.7468168 -1.0737952), wk = 0.0034602 k( 67) = ( 0.5000000 -0.7322760 -1.0981132), wk = 0.0034602 k( 68) = ( 0.5000000 -0.7177352 -1.1224312), wk = 0.0034602 k( 69) = ( 0.5000000 -0.7031944 -1.1467491), wk = 0.0034602 k( 70) = ( 0.5000000 -0.6886535 -1.1710670), wk = 0.0034602 k( 71) = ( 0.5000000 -0.6741127 -1.1953850), wk = 0.0034602 k( 72) = ( 0.5000000 -0.6595719 -1.2197029), wk = 0.0034602 k( 73) = ( 0.5000000 -0.6450311 -1.2440209), wk = 0.0034602 k( 74) = ( 0.5000000 -0.6304902 -1.2683388), wk = 0.0034602 k( 75) = ( 0.5000000 -0.6159494 -1.2926568), wk = 0.0034602 k( 76) = ( 0.8212302 -0.5416535 -1.1543603), wk = 0.0034602 k( 77) = ( 0.8148056 -0.5285075 -1.1298901), wk = 0.0034602 k( 78) = ( 0.8083810 -0.5153616 -1.1054200), wk = 0.0034602 k( 79) = ( 0.8019564 -0.5022157 -1.0809498), wk = 0.0034602 k( 80) = ( 0.7955317 -0.4890697 -1.0564796), wk = 0.0034602 k( 81) = ( 0.7891071 -0.4759238 -1.0320095), wk = 0.0034602 k( 82) = ( 0.7826825 -0.4627779 -1.0075393), wk = 0.0034602 k( 83) = ( 0.7762579 -0.4496320 -0.9830691), wk = 0.0034602 k( 84) = ( 0.7698333 -0.4364860 -0.9585990), wk = 0.0034602 k( 85) = ( 0.7634087 -0.4233401 -0.9341288), wk = 0.0034602 k( 86) = ( 0.7569841 -0.4101942 -0.9096586), wk = 0.0034602 k( 87) = ( 0.7505595 -0.3970483 -0.8851885), wk = 0.0034602 k( 88) = ( 0.7441349 -0.3839023 -0.8607183), wk = 0.0034602 k( 89) = ( 0.7377103 -0.3707564 -0.8362481), wk = 0.0034602 k( 90) = ( 0.7312857 -0.3576105 -0.8117779), wk = 0.0034602 k( 91) = ( 0.7248611 -0.3444646 -0.7873078), wk = 0.0034602 k( 92) = ( 0.7184365 -0.3313186 -0.7628376), wk = 0.0034602 k( 93) = ( 0.7120119 -0.3181727 -0.7383674), wk = 0.0034602 k( 94) = ( 0.7055873 -0.3050268 -0.7138973), wk = 0.0034602 k( 95) = ( 0.6991627 -0.2918808 -0.6894271), wk = 0.0034602 k( 96) = ( 0.6927381 -0.2787349 -0.6649569), wk = 0.0034602 k( 97) = ( 0.6863135 -0.2655890 -0.6404868), wk = 0.0034602 k( 98) = ( 0.6798889 -0.2524431 -0.6160166), wk = 0.0034602 k( 99) = ( 0.6734643 -0.2392971 -0.5915464), wk = 0.0034602 k( 100) = ( 0.6670397 -0.2261512 -0.5670762), wk = 0.0034602 k( 101) = ( 0.6606151 -0.2130053 -0.5426060), wk = 0.0034602 k( 102) = ( 0.6541905 -0.1998594 -0.5181359), wk = 0.0034602 k( 103) = ( 0.6477659 -0.1867134 -0.4936657), wk = 0.0034602 k( 104) = ( 0.6413413 -0.1735675 -0.4691955), wk = 0.0034602 k( 105) = ( 0.6349167 -0.1604216 -0.4447254), wk = 0.0034602 k( 106) = ( 0.6284921 -0.1472757 -0.4202552), wk = 0.0034602 k( 107) = ( 0.6220675 -0.1341297 -0.3957850), wk = 0.0034602 k( 108) = ( 0.6156429 -0.1209838 -0.3713149), wk = 0.0034602 k( 109) = ( 0.6092183 -0.1078379 -0.3468447), wk = 0.0034602 k( 110) = ( 0.6027936 -0.0946919 -0.3223745), wk = 0.0034602 k( 111) = ( 0.5963690 -0.0815460 -0.2979043), wk = 0.0034602 k( 112) = ( 0.5899444 -0.0684001 -0.2734342), wk = 0.0034602 k( 113) = ( 0.5835198 -0.0552542 -0.2489640), wk = 0.0034602 k( 114) = ( 0.5770952 -0.0421082 -0.2244938), wk = 0.0034602 k( 115) = ( 0.5706706 -0.0289623 -0.2000237), wk = 0.0034602 k( 116) = ( 0.5642460 -0.0158164 -0.1755535), wk = 0.0034602 k( 117) = ( 0.5578214 -0.0026705 -0.1510833), wk = 0.0034602 k( 118) = ( 0.5513968 0.0104755 -0.1266132), wk = 0.0034602 k( 119) = ( 0.5449722 0.0236214 -0.1021430), wk = 0.0034602 k( 120) = ( 0.5385476 0.0367673 -0.0776728), wk = 0.0034602 k( 121) = ( 0.5321230 0.0499132 -0.0532026), wk = 0.0034602 k( 122) = ( 0.5256984 0.0630592 -0.0287324), wk = 0.0034602 k( 123) = ( 0.5192738 0.0762051 -0.0042623), wk = 0.0034602 k( 124) = ( 0.5128492 0.0893510 0.0202079), wk = 0.0034602 k( 125) = ( 0.5064246 0.1024970 0.0446781), wk = 0.0034602 k( 126) = ( 0.5000000 0.1156429 0.0691482), wk = 0.0034602 k( 127) = ( 0.5000000 0.1156429 0.0691482), wk = 0.0034602 k( 128) = ( 0.4722222 0.1092183 0.0653067), wk = 0.0034602 k( 129) = ( 0.4444444 0.1027937 0.0614651), wk = 0.0034602 k( 130) = ( 0.4166667 0.0963691 0.0576235), wk = 0.0034602 k( 131) = ( 0.3888889 0.0899445 0.0537820), wk = 0.0034602 k( 132) = ( 0.3611111 0.0835199 0.0499404), wk = 0.0034602 k( 133) = ( 0.3333333 0.0770953 0.0460988), wk = 0.0034602 k( 134) = ( 0.3055556 0.0706707 0.0422572), wk = 0.0034602 k( 135) = ( 0.2777778 0.0642460 0.0384157), wk = 0.0034602 k( 136) = ( 0.2500000 0.0578214 0.0345741), wk = 0.0034602 k( 137) = ( 0.2222222 0.0513968 0.0307325), wk = 0.0034602 k( 138) = ( 0.1944444 0.0449722 0.0268910), wk = 0.0034602 k( 139) = ( 0.1666667 0.0385476 0.0230494), wk = 0.0034602 k( 140) = ( 0.1388889 0.0321230 0.0192078), wk = 0.0034602 k( 141) = ( 0.1111111 0.0256984 0.0153663), wk = 0.0034602 k( 142) = ( 0.0833333 0.0192738 0.0115247), wk = 0.0034602 k( 143) = ( 0.0555556 0.0128492 0.0076831), wk = 0.0034602 k( 144) = ( 0.0277778 0.0064246 0.0038416), wk = 0.0034602 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 147) = ( 0.0065266 -0.0133547 -0.0248588), wk = 0.0034602 k( 148) = ( 0.0130533 -0.0267094 -0.0497176), wk = 0.0034602 k( 149) = ( 0.0195799 -0.0400641 -0.0745764), wk = 0.0034602 k( 150) = ( 0.0261065 -0.0534188 -0.0994351), wk = 0.0034602 k( 151) = ( 0.0326332 -0.0667735 -0.1242939), wk = 0.0034602 k( 152) = ( 0.0391598 -0.0801282 -0.1491527), wk = 0.0034602 k( 153) = ( 0.0456864 -0.0934829 -0.1740115), wk = 0.0034602 k( 154) = ( 0.0522131 -0.1068376 -0.1988703), wk = 0.0034602 k( 155) = ( 0.0587397 -0.1201923 -0.2237291), wk = 0.0034602 k( 156) = ( 0.0652663 -0.1335470 -0.2485878), wk = 0.0034602 k( 157) = ( 0.0717930 -0.1469017 -0.2734466), wk = 0.0034602 k( 158) = ( 0.0783196 -0.1602564 -0.2983054), wk = 0.0034602 k( 159) = ( 0.0848462 -0.1736111 -0.3231642), wk = 0.0034602 k( 160) = ( 0.0913729 -0.1869658 -0.3480230), wk = 0.0034602 k( 161) = ( 0.0978995 -0.2003205 -0.3728818), wk = 0.0034602 k( 162) = ( 0.1044261 -0.2136752 -0.3977406), wk = 0.0034602 k( 163) = ( 0.1109528 -0.2270299 -0.4225993), wk = 0.0034602 k( 164) = ( 0.1174794 -0.2403846 -0.4474581), wk = 0.0034602 k( 165) = ( 0.1240060 -0.2537393 -0.4723169), wk = 0.0034602 k( 166) = ( 0.1305327 -0.2670940 -0.4971757), wk = 0.0034602 k( 167) = ( 0.1370593 -0.2804487 -0.5220345), wk = 0.0034602 k( 168) = ( 0.1435859 -0.2938034 -0.5468933), wk = 0.0034602 k( 169) = ( 0.1501126 -0.3071581 -0.5717520), wk = 0.0034602 k( 170) = ( 0.1566392 -0.3205128 -0.5966108), wk = 0.0034602 k( 171) = ( 0.1631658 -0.3338675 -0.6214696), wk = 0.0034602 k( 172) = ( 0.1696925 -0.3472222 -0.6463284), wk = 0.0034602 k( 173) = ( 0.1762191 -0.3605769 -0.6711872), wk = 0.0034602 k( 174) = ( 0.1827457 -0.3739315 -0.6960459), wk = 0.0034602 k( 175) = ( 0.1892724 -0.3872863 -0.7209047), wk = 0.0034602 k( 176) = ( 0.1957990 -0.4006410 -0.7457635), wk = 0.0034602 k( 177) = ( 0.2023256 -0.4139956 -0.7706223), wk = 0.0034602 k( 178) = ( 0.2088523 -0.4273504 -0.7954811), wk = 0.0034602 k( 179) = ( 0.2153789 -0.4407050 -0.8203399), wk = 0.0034602 k( 180) = ( 0.2219055 -0.4540597 -0.8451986), wk = 0.0034602 k( 181) = ( 0.2284322 -0.4674145 -0.8700575), wk = 0.0034602 k( 182) = ( 0.2349588 -0.4807691 -0.8949162), wk = 0.0034602 k( 183) = ( 0.2414854 -0.4941238 -0.9197750), wk = 0.0034602 k( 184) = ( 0.2480121 -0.5074785 -0.9446338), wk = 0.0034602 k( 185) = ( 0.2545387 -0.5208332 -0.9694926), wk = 0.0034602 k( 186) = ( 0.2610653 -0.5341879 -0.9943514), wk = 0.0034602 k( 187) = ( 0.2675920 -0.5475426 -1.0192101), wk = 0.0034602 k( 188) = ( 0.2741186 -0.5608973 -1.0440689), wk = 0.0034602 k( 189) = ( 0.2806452 -0.5742520 -1.0689277), wk = 0.0034602 k( 190) = ( 0.2871719 -0.5876067 -1.0937865), wk = 0.0034602 k( 191) = ( 0.2936985 -0.6009614 -1.1186453), wk = 0.0034602 k( 192) = ( 0.3002251 -0.6143161 -1.1435041), wk = 0.0034602 k( 193) = ( 0.3067517 -0.6276708 -1.1683628), wk = 0.0034602 k( 194) = ( 0.3132784 -0.6410255 -1.1932217), wk = 0.0034602 k( 195) = ( 0.3198050 -0.6543802 -1.2180804), wk = 0.0034602 k( 196) = ( 0.3263316 -0.6677349 -1.2429392), wk = 0.0034602 k( 197) = ( 0.3328583 -0.6810896 -1.2677980), wk = 0.0034602 k( 198) = ( 0.3393849 -0.6944443 -1.2926568), wk = 0.0034602 k( 199) = ( 0.6606151 -0.5788014 -1.2235085), wk = 0.0034602 k( 200) = ( 0.6541905 -0.5510237 -1.2235085), wk = 0.0034602 k( 201) = ( 0.6477659 -0.5232459 -1.2235085), wk = 0.0034602 k( 202) = ( 0.6413413 -0.4954681 -1.2235085), wk = 0.0034602 k( 203) = ( 0.6349167 -0.4676903 -1.2235085), wk = 0.0034602 k( 204) = ( 0.6284921 -0.4399126 -1.2235085), wk = 0.0034602 k( 205) = ( 0.6220675 -0.4121348 -1.2235085), wk = 0.0034602 k( 206) = ( 0.6156429 -0.3843570 -1.2235085), wk = 0.0034602 k( 207) = ( 0.6092183 -0.3565793 -1.2235085), wk = 0.0034602 k( 208) = ( 0.6027936 -0.3288015 -1.2235085), wk = 0.0034602 k( 209) = ( 0.5963690 -0.3010237 -1.2235085), wk = 0.0034602 k( 210) = ( 0.5899444 -0.2732460 -1.2235085), wk = 0.0034602 k( 211) = ( 0.5835198 -0.2454682 -1.2235085), wk = 0.0034602 k( 212) = ( 0.5770952 -0.2176904 -1.2235085), wk = 0.0034602 k( 213) = ( 0.5706706 -0.1899126 -1.2235085), wk = 0.0034602 k( 214) = ( 0.5642460 -0.1621348 -1.2235085), wk = 0.0034602 k( 215) = ( 0.5578214 -0.1343571 -1.2235085), wk = 0.0034602 k( 216) = ( 0.5513968 -0.1065793 -1.2235085), wk = 0.0034602 k( 217) = ( 0.5449722 -0.0788015 -1.2235085), wk = 0.0034602 k( 218) = ( 0.5385476 -0.0510238 -1.2235085), wk = 0.0034602 k( 219) = ( 0.5321230 -0.0232460 -1.2235085), wk = 0.0034602 k( 220) = ( 0.5256984 0.0045318 -1.2235085), wk = 0.0034602 k( 221) = ( 0.5192738 0.0323096 -1.2235085), wk = 0.0034602 k( 222) = ( 0.5128492 0.0600873 -1.2235085), wk = 0.0034602 k( 223) = ( 0.5064246 0.0878651 -1.2235085), wk = 0.0034602 k( 224) = ( 0.5000000 0.1156429 -1.2235085), wk = 0.0034602 k( 225) = ( 0.5000000 0.1156429 -1.2235085), wk = 0.0034602 k( 226) = ( 0.5229450 0.1209497 -1.2136302), wk = 0.0034602 k( 227) = ( 0.5458900 0.1262566 -1.2037519), wk = 0.0034602 k( 228) = ( 0.5688350 0.1315634 -1.1938736), wk = 0.0034602 k( 229) = ( 0.5917801 0.1368703 -1.1839953), wk = 0.0034602 k( 230) = ( 0.6147251 0.1421772 -1.1741170), wk = 0.0034602 k( 231) = ( 0.6376701 0.1474840 -1.1642386), wk = 0.0034602 k( 232) = ( 0.6606151 0.1527909 -1.1543603), wk = 0.0034602 k( 233) = ( 0.6606151 0.1527909 -1.1543603), wk = 0.0034602 k( 234) = ( 0.6568799 0.1519270 -1.1259067), wk = 0.0034602 k( 235) = ( 0.6531446 0.1510630 -1.0974530), wk = 0.0034602 k( 236) = ( 0.6494094 0.1501991 -1.0689993), wk = 0.0034602 k( 237) = ( 0.6456741 0.1493352 -1.0405456), wk = 0.0034602 k( 238) = ( 0.6419389 0.1484713 -1.0120919), wk = 0.0034602 k( 239) = ( 0.6382037 0.1476074 -0.9836382), wk = 0.0034602 k( 240) = ( 0.6344684 0.1467435 -0.9551845), wk = 0.0034602 k( 241) = ( 0.6307332 0.1458796 -0.9267308), wk = 0.0034602 k( 242) = ( 0.6269980 0.1450157 -0.8982771), wk = 0.0034602 k( 243) = ( 0.6232627 0.1441518 -0.8698235), wk = 0.0034602 k( 244) = ( 0.6195275 0.1432879 -0.8413698), wk = 0.0034602 k( 245) = ( 0.6157923 0.1424240 -0.8129161), wk = 0.0034602 k( 246) = ( 0.6120570 0.1415601 -0.7844624), wk = 0.0034602 k( 247) = ( 0.6083218 0.1406962 -0.7560087), wk = 0.0034602 k( 248) = ( 0.6045866 0.1398323 -0.7275550), wk = 0.0034602 k( 249) = ( 0.6008513 0.1389684 -0.6991013), wk = 0.0034602 k( 250) = ( 0.5971161 0.1381045 -0.6706476), wk = 0.0034602 k( 251) = ( 0.5933809 0.1372405 -0.6421939), wk = 0.0034602 k( 252) = ( 0.5896456 0.1363766 -0.6137403), wk = 0.0034602 k( 253) = ( 0.5859104 0.1355127 -0.5852866), wk = 0.0034602 k( 254) = ( 0.5821752 0.1346488 -0.5568329), wk = 0.0034602 k( 255) = ( 0.5784399 0.1337849 -0.5283792), wk = 0.0034602 k( 256) = ( 0.5747047 0.1329210 -0.4999255), wk = 0.0034602 k( 257) = ( 0.5709695 0.1320571 -0.4714718), wk = 0.0034602 k( 258) = ( 0.5672342 0.1311932 -0.4430181), wk = 0.0034602 k( 259) = ( 0.5634990 0.1303293 -0.4145645), wk = 0.0034602 k( 260) = ( 0.5597638 0.1294654 -0.3861108), wk = 0.0034602 k( 261) = ( 0.5560285 0.1286015 -0.3576571), wk = 0.0034602 k( 262) = ( 0.5522933 0.1277376 -0.3292034), wk = 0.0034602 k( 263) = ( 0.5485581 0.1268737 -0.3007497), wk = 0.0034602 k( 264) = ( 0.5448228 0.1260098 -0.2722960), wk = 0.0034602 k( 265) = ( 0.5410876 0.1251459 -0.2438423), wk = 0.0034602 k( 266) = ( 0.5373523 0.1242819 -0.2153886), wk = 0.0034602 k( 267) = ( 0.5336171 0.1234180 -0.1869350), wk = 0.0034602 k( 268) = ( 0.5298819 0.1225541 -0.1584813), wk = 0.0034602 k( 269) = ( 0.5261466 0.1216902 -0.1300276), wk = 0.0034602 k( 270) = ( 0.5224114 0.1208263 -0.1015739), wk = 0.0034602 k( 271) = ( 0.5186762 0.1199624 -0.0731202), wk = 0.0034602 k( 272) = ( 0.5149409 0.1190985 -0.0446665), wk = 0.0034602 k( 273) = ( 0.5112057 0.1182346 -0.0162128), wk = 0.0034602 k( 274) = ( 0.5074705 0.1173707 0.0122408), wk = 0.0034602 k( 275) = ( 0.5037352 0.1165068 0.0406945), wk = 0.0034602 k( 276) = ( 0.5000000 0.1156429 0.0691482), wk = 0.0034602 k( 277) = ( 0.5000000 -1.0230925 -0.6117543), wk = 0.0034602 k( 278) = ( 0.5267692 -1.0134556 -0.6059919), wk = 0.0034602 k( 279) = ( 0.5535384 -1.0038187 -0.6002296), wk = 0.0034602 k( 280) = ( 0.5803075 -0.9941818 -0.5944672), wk = 0.0034602 k( 281) = ( 0.6070767 -0.9845448 -0.5887049), wk = 0.0034602 k( 282) = ( 0.6338459 -0.9749080 -0.5829425), wk = 0.0034602 k( 283) = ( 0.6606151 -0.9652710 -0.5771802), wk = 0.0034602 k( 284) = ( 0.6873843 -0.9556341 -0.5714178), wk = 0.0034602 k( 285) = ( 0.7141534 -0.9459972 -0.5656555), wk = 0.0034602 k( 286) = ( 0.7409226 -0.9363603 -0.5598931), wk = 0.0034602 k( 287) = ( 0.7676918 -0.9267234 -0.5541308), wk = 0.0034602 k( 288) = ( 0.7944610 -0.9170865 -0.5483684), wk = 0.0034602 k( 289) = ( 0.8212302 -0.9074496 -0.5426061), wk = 0.0034602 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 2) = ( 0.0111111 -0.0000000 -0.0000000), wk = 0.0034602 k( 3) = ( 0.0222222 -0.0000000 -0.0000000), wk = 0.0034602 k( 4) = ( 0.0333333 -0.0000000 -0.0000000), wk = 0.0034602 k( 5) = ( 0.0444444 -0.0000000 -0.0000000), wk = 0.0034602 k( 6) = ( 0.0555556 -0.0000000 -0.0000000), wk = 0.0034602 k( 7) = ( 0.0666667 -0.0000000 -0.0000000), wk = 0.0034602 k( 8) = ( 0.0777778 -0.0000000 -0.0000000), wk = 0.0034602 k( 9) = ( 0.0888889 -0.0000000 -0.0000000), wk = 0.0034602 k( 10) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0034602 k( 11) = ( 0.1111111 -0.0000000 -0.0000000), wk = 0.0034602 k( 12) = ( 0.1222222 -0.0000000 0.0000000), wk = 0.0034602 k( 13) = ( 0.1333333 0.0000000 -0.0000000), wk = 0.0034602 k( 14) = ( 0.1444444 -0.0000000 -0.0000000), wk = 0.0034602 k( 15) = ( 0.1555556 -0.0000000 -0.0000000), wk = 0.0034602 k( 16) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0034602 k( 17) = ( 0.1777778 -0.0000000 -0.0000000), wk = 0.0034602 k( 18) = ( 0.1888889 -0.0000000 -0.0000000), wk = 0.0034602 k( 19) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0034602 k( 20) = ( 0.2111111 -0.0000000 -0.0000000), wk = 0.0034602 k( 21) = ( 0.2222222 -0.0000000 -0.0000000), wk = 0.0034602 k( 22) = ( 0.2333333 -0.0000000 -0.0000000), wk = 0.0034602 k( 23) = ( 0.2444444 -0.0000000 0.0000000), wk = 0.0034602 k( 24) = ( 0.2555556 -0.0000000 -0.0000000), wk = 0.0034602 k( 25) = ( 0.2666667 -0.0000000 -0.0000000), wk = 0.0034602 k( 26) = ( 0.2777778 -0.0000000 -0.0000000), wk = 0.0034602 k( 27) = ( 0.2888889 -0.0000000 0.0000000), wk = 0.0034602 k( 28) = ( 0.3000000 0.0000000 -0.0000000), wk = 0.0034602 k( 29) = ( 0.3111111 -0.0000000 -0.0000000), wk = 0.0034602 k( 30) = ( 0.3222222 -0.0000000 -0.0000000), wk = 0.0034602 k( 31) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0034602 k( 32) = ( 0.3444444 -0.0000000 -0.0000000), wk = 0.0034602 k( 33) = ( 0.3555556 -0.0000000 -0.0000000), wk = 0.0034602 k( 34) = ( 0.3666667 -0.0000000 -0.0000000), wk = 0.0034602 k( 35) = ( 0.3777778 -0.0000000 -0.0000000), wk = 0.0034602 k( 36) = ( 0.3888889 -0.0000000 -0.0000000), wk = 0.0034602 k( 37) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0034602 k( 38) = ( 0.4111111 -0.0000000 -0.0000000), wk = 0.0034602 k( 39) = ( 0.4222222 -0.0000000 -0.0000000), wk = 0.0034602 k( 40) = ( 0.4333333 -0.0000000 -0.0000000), wk = 0.0034602 k( 41) = ( 0.4444444 -0.0000000 -0.0000000), wk = 0.0034602 k( 42) = ( 0.4555556 -0.0000000 -0.0000000), wk = 0.0034602 k( 43) = ( 0.4666667 -0.0000000 -0.0000000), wk = 0.0034602 k( 44) = ( 0.4777778 -0.0000000 -0.0000000), wk = 0.0034602 k( 45) = ( 0.4888889 -0.0000000 0.0000000), wk = 0.0034602 k( 46) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0034602 k( 47) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0034602 k( 48) = ( 0.5000000 0.0063846 -0.0063846), wk = 0.0034602 k( 49) = ( 0.5000000 0.0127693 -0.0127693), wk = 0.0034602 k( 50) = ( 0.5000000 0.0191539 -0.0191539), wk = 0.0034602 k( 51) = ( 0.5000000 0.0255385 -0.0255386), wk = 0.0034602 k( 52) = ( 0.5000000 0.0319232 -0.0319232), wk = 0.0034602 k( 53) = ( 0.5000000 0.0383078 -0.0383078), wk = 0.0034602 k( 54) = ( 0.5000000 0.0446925 -0.0446925), wk = 0.0034602 k( 55) = ( 0.5000000 0.0510771 -0.0510771), wk = 0.0034602 k( 56) = ( 0.5000000 0.0574617 -0.0574617), wk = 0.0034602 k( 57) = ( 0.5000000 0.0638464 -0.0638464), wk = 0.0034602 k( 58) = ( 0.5000000 0.0702310 -0.0702310), wk = 0.0034602 k( 59) = ( 0.5000000 0.0766156 -0.0766156), wk = 0.0034602 k( 60) = ( 0.5000000 0.0830003 -0.0830003), wk = 0.0034602 k( 61) = ( 0.5000000 0.0893849 -0.0893849), wk = 0.0034602 k( 62) = ( 0.5000000 0.0957695 -0.0957696), wk = 0.0034602 k( 63) = ( 0.5000000 0.1021542 -0.1021542), wk = 0.0034602 k( 64) = ( 0.5000000 0.1085388 -0.1085388), wk = 0.0034602 k( 65) = ( 0.5000000 0.1149235 -0.1149235), wk = 0.0034602 k( 66) = ( 0.5000000 0.1213081 -0.1213081), wk = 0.0034602 k( 67) = ( 0.5000000 0.1276927 -0.1276927), wk = 0.0034602 k( 68) = ( 0.5000000 0.1340774 -0.1340774), wk = 0.0034602 k( 69) = ( 0.5000000 0.1404620 -0.1404620), wk = 0.0034602 k( 70) = ( 0.5000000 0.1468466 -0.1468466), wk = 0.0034602 k( 71) = ( 0.5000000 0.1532313 -0.1532313), wk = 0.0034602 k( 72) = ( 0.5000000 0.1596159 -0.1596159), wk = 0.0034602 k( 73) = ( 0.5000000 0.1660006 -0.1660006), wk = 0.0034602 k( 74) = ( 0.5000000 0.1723852 -0.1723852), wk = 0.0034602 k( 75) = ( 0.5000000 0.1787698 -0.1787698), wk = 0.0034602 k( 76) = ( 0.8212302 0.5000000 0.1787698), wk = 0.0034602 k( 77) = ( 0.8148056 0.5000000 0.1851944), wk = 0.0034602 k( 78) = ( 0.8083810 0.5000000 0.1916190), wk = 0.0034602 k( 79) = ( 0.8019564 0.5000000 0.1980436), wk = 0.0034602 k( 80) = ( 0.7955317 0.5000000 0.2044682), wk = 0.0034602 k( 81) = ( 0.7891071 0.5000000 0.2108928), wk = 0.0034602 k( 82) = ( 0.7826825 0.5000000 0.2173174), wk = 0.0034602 k( 83) = ( 0.7762579 0.5000000 0.2237421), wk = 0.0034602 k( 84) = ( 0.7698333 0.5000000 0.2301667), wk = 0.0034602 k( 85) = ( 0.7634087 0.5000000 0.2365913), wk = 0.0034602 k( 86) = ( 0.7569841 0.5000000 0.2430159), wk = 0.0034602 k( 87) = ( 0.7505595 0.5000000 0.2494405), wk = 0.0034602 k( 88) = ( 0.7441349 0.5000000 0.2558651), wk = 0.0034602 k( 89) = ( 0.7377103 0.5000000 0.2622897), wk = 0.0034602 k( 90) = ( 0.7312857 0.5000000 0.2687143), wk = 0.0034602 k( 91) = ( 0.7248611 0.5000000 0.2751389), wk = 0.0034602 k( 92) = ( 0.7184365 0.5000000 0.2815635), wk = 0.0034602 k( 93) = ( 0.7120119 0.5000000 0.2879881), wk = 0.0034602 k( 94) = ( 0.7055873 0.5000000 0.2944127), wk = 0.0034602 k( 95) = ( 0.6991627 0.5000000 0.3008373), wk = 0.0034602 k( 96) = ( 0.6927381 0.5000000 0.3072619), wk = 0.0034602 k( 97) = ( 0.6863135 0.5000000 0.3136865), wk = 0.0034602 k( 98) = ( 0.6798889 0.5000000 0.3201111), wk = 0.0034602 k( 99) = ( 0.6734643 0.5000000 0.3265357), wk = 0.0034602 k( 100) = ( 0.6670397 0.5000000 0.3329603), wk = 0.0034602 k( 101) = ( 0.6606151 0.5000000 0.3393849), wk = 0.0034602 k( 102) = ( 0.6541905 0.5000000 0.3458095), wk = 0.0034602 k( 103) = ( 0.6477659 0.5000000 0.3522341), wk = 0.0034602 k( 104) = ( 0.6413413 0.5000000 0.3586587), wk = 0.0034602 k( 105) = ( 0.6349167 0.5000000 0.3650833), wk = 0.0034602 k( 106) = ( 0.6284921 0.5000000 0.3715079), wk = 0.0034602 k( 107) = ( 0.6220675 0.5000000 0.3779325), wk = 0.0034602 k( 108) = ( 0.6156429 0.5000000 0.3843571), wk = 0.0034602 k( 109) = ( 0.6092183 0.5000000 0.3907817), wk = 0.0034602 k( 110) = ( 0.6027936 0.5000000 0.3972063), wk = 0.0034602 k( 111) = ( 0.5963690 0.5000000 0.4036309), wk = 0.0034602 k( 112) = ( 0.5899444 0.5000000 0.4100555), wk = 0.0034602 k( 113) = ( 0.5835198 0.5000000 0.4164802), wk = 0.0034602 k( 114) = ( 0.5770952 0.5000000 0.4229048), wk = 0.0034602 k( 115) = ( 0.5706706 0.5000000 0.4293294), wk = 0.0034602 k( 116) = ( 0.5642460 0.5000000 0.4357540), wk = 0.0034602 k( 117) = ( 0.5578214 0.5000000 0.4421786), wk = 0.0034602 k( 118) = ( 0.5513968 0.5000000 0.4486032), wk = 0.0034602 k( 119) = ( 0.5449722 0.5000000 0.4550278), wk = 0.0034602 k( 120) = ( 0.5385476 0.5000000 0.4614524), wk = 0.0034602 k( 121) = ( 0.5321230 0.5000000 0.4678770), wk = 0.0034602 k( 122) = ( 0.5256984 0.5000000 0.4743016), wk = 0.0034602 k( 123) = ( 0.5192738 0.5000000 0.4807262), wk = 0.0034602 k( 124) = ( 0.5128492 0.5000000 0.4871508), wk = 0.0034602 k( 125) = ( 0.5064246 0.5000000 0.4935754), wk = 0.0034602 k( 126) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034602 k( 127) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034602 k( 128) = ( 0.4722222 0.4722222 0.4722222), wk = 0.0034602 k( 129) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0034602 k( 130) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0034602 k( 131) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0034602 k( 132) = ( 0.3611111 0.3611111 0.3611111), wk = 0.0034602 k( 133) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0034602 k( 134) = ( 0.3055556 0.3055556 0.3055556), wk = 0.0034602 k( 135) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0034602 k( 136) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034602 k( 137) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0034602 k( 138) = ( 0.1944444 0.1944444 0.1944444), wk = 0.0034602 k( 139) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0034602 k( 140) = ( 0.1388889 0.1388889 0.1388889), wk = 0.0034602 k( 141) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0034602 k( 142) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0034602 k( 143) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0034602 k( 144) = ( 0.0277778 0.0277778 0.0277778), wk = 0.0034602 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 147) = ( 0.0065266 -0.0000000 -0.0065266), wk = 0.0034602 k( 148) = ( 0.0130533 -0.0000000 -0.0130533), wk = 0.0034602 k( 149) = ( 0.0195799 -0.0000000 -0.0195799), wk = 0.0034602 k( 150) = ( 0.0261065 -0.0000000 -0.0261065), wk = 0.0034602 k( 151) = ( 0.0326332 -0.0000000 -0.0326332), wk = 0.0034602 k( 152) = ( 0.0391598 -0.0000000 -0.0391598), wk = 0.0034602 k( 153) = ( 0.0456864 -0.0000000 -0.0456864), wk = 0.0034602 k( 154) = ( 0.0522131 -0.0000000 -0.0522131), wk = 0.0034602 k( 155) = ( 0.0587397 -0.0000000 -0.0587397), wk = 0.0034602 k( 156) = ( 0.0652663 -0.0000000 -0.0652663), wk = 0.0034602 k( 157) = ( 0.0717930 -0.0000000 -0.0717930), wk = 0.0034602 k( 158) = ( 0.0783196 -0.0000000 -0.0783196), wk = 0.0034602 k( 159) = ( 0.0848462 -0.0000000 -0.0848462), wk = 0.0034602 k( 160) = ( 0.0913729 -0.0000000 -0.0913729), wk = 0.0034602 k( 161) = ( 0.0978995 -0.0000000 -0.0978995), wk = 0.0034602 k( 162) = ( 0.1044261 -0.0000000 -0.1044261), wk = 0.0034602 k( 163) = ( 0.1109528 -0.0000000 -0.1109528), wk = 0.0034602 k( 164) = ( 0.1174794 -0.0000000 -0.1174794), wk = 0.0034602 k( 165) = ( 0.1240060 -0.0000000 -0.1240060), wk = 0.0034602 k( 166) = ( 0.1305327 -0.0000000 -0.1305327), wk = 0.0034602 k( 167) = ( 0.1370593 -0.0000000 -0.1370593), wk = 0.0034602 k( 168) = ( 0.1435859 -0.0000000 -0.1435859), wk = 0.0034602 k( 169) = ( 0.1501126 -0.0000000 -0.1501126), wk = 0.0034602 k( 170) = ( 0.1566392 -0.0000000 -0.1566392), wk = 0.0034602 k( 171) = ( 0.1631658 -0.0000000 -0.1631658), wk = 0.0034602 k( 172) = ( 0.1696925 -0.0000000 -0.1696925), wk = 0.0034602 k( 173) = ( 0.1762191 -0.0000000 -0.1762191), wk = 0.0034602 k( 174) = ( 0.1827457 -0.0000000 -0.1827457), wk = 0.0034602 k( 175) = ( 0.1892724 -0.0000000 -0.1892724), wk = 0.0034602 k( 176) = ( 0.1957990 -0.0000000 -0.1957990), wk = 0.0034602 k( 177) = ( 0.2023256 -0.0000000 -0.2023256), wk = 0.0034602 k( 178) = ( 0.2088523 -0.0000000 -0.2088523), wk = 0.0034602 k( 179) = ( 0.2153789 -0.0000000 -0.2153789), wk = 0.0034602 k( 180) = ( 0.2219055 -0.0000000 -0.2219055), wk = 0.0034602 k( 181) = ( 0.2284322 -0.0000000 -0.2284322), wk = 0.0034602 k( 182) = ( 0.2349588 -0.0000000 -0.2349588), wk = 0.0034602 k( 183) = ( 0.2414854 -0.0000000 -0.2414854), wk = 0.0034602 k( 184) = ( 0.2480121 -0.0000000 -0.2480121), wk = 0.0034602 k( 185) = ( 0.2545387 -0.0000000 -0.2545387), wk = 0.0034602 k( 186) = ( 0.2610653 -0.0000000 -0.2610653), wk = 0.0034602 k( 187) = ( 0.2675920 -0.0000000 -0.2675920), wk = 0.0034602 k( 188) = ( 0.2741186 -0.0000000 -0.2741186), wk = 0.0034602 k( 189) = ( 0.2806452 -0.0000000 -0.2806452), wk = 0.0034602 k( 190) = ( 0.2871719 -0.0000000 -0.2871719), wk = 0.0034602 k( 191) = ( 0.2936985 0.0000000 -0.2936985), wk = 0.0034602 k( 192) = ( 0.3002251 -0.0000000 -0.3002251), wk = 0.0034602 k( 193) = ( 0.3067517 -0.0000000 -0.3067518), wk = 0.0034602 k( 194) = ( 0.3132784 -0.0000000 -0.3132784), wk = 0.0034602 k( 195) = ( 0.3198050 -0.0000000 -0.3198050), wk = 0.0034602 k( 196) = ( 0.3263316 -0.0000000 -0.3263317), wk = 0.0034602 k( 197) = ( 0.3328583 -0.0000000 -0.3328583), wk = 0.0034602 k( 198) = ( 0.3393849 -0.0000000 -0.3393849), wk = 0.0034602 k( 199) = ( 0.6606151 0.3393849 -0.0000000), wk = 0.0034602 k( 200) = ( 0.6541905 0.3458095 -0.0000000), wk = 0.0034602 k( 201) = ( 0.6477659 0.3522341 0.0000000), wk = 0.0034602 k( 202) = ( 0.6413413 0.3586587 -0.0000000), wk = 0.0034602 k( 203) = ( 0.6349167 0.3650833 -0.0000000), wk = 0.0034602 k( 204) = ( 0.6284921 0.3715079 -0.0000000), wk = 0.0034602 k( 205) = ( 0.6220675 0.3779325 0.0000000), wk = 0.0034602 k( 206) = ( 0.6156429 0.3843571 0.0000000), wk = 0.0034602 k( 207) = ( 0.6092183 0.3907817 0.0000000), wk = 0.0034602 k( 208) = ( 0.6027936 0.3972063 -0.0000000), wk = 0.0034602 k( 209) = ( 0.5963690 0.4036309 -0.0000000), wk = 0.0034602 k( 210) = ( 0.5899444 0.4100555 -0.0000000), wk = 0.0034602 k( 211) = ( 0.5835198 0.4164802 -0.0000000), wk = 0.0034602 k( 212) = ( 0.5770952 0.4229048 -0.0000000), wk = 0.0034602 k( 213) = ( 0.5706706 0.4293294 -0.0000000), wk = 0.0034602 k( 214) = ( 0.5642460 0.4357540 -0.0000000), wk = 0.0034602 k( 215) = ( 0.5578214 0.4421786 -0.0000000), wk = 0.0034602 k( 216) = ( 0.5513968 0.4486032 -0.0000000), wk = 0.0034602 k( 217) = ( 0.5449722 0.4550278 0.0000000), wk = 0.0034602 k( 218) = ( 0.5385476 0.4614524 0.0000000), wk = 0.0034602 k( 219) = ( 0.5321230 0.4678770 -0.0000000), wk = 0.0034602 k( 220) = ( 0.5256984 0.4743016 -0.0000000), wk = 0.0034602 k( 221) = ( 0.5192738 0.4807262 -0.0000000), wk = 0.0034602 k( 222) = ( 0.5128492 0.4871508 -0.0000000), wk = 0.0034602 k( 223) = ( 0.5064246 0.4935754 -0.0000000), wk = 0.0034602 k( 224) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034602 k( 225) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034602 k( 226) = ( 0.5229450 0.5229450 0.0255385), wk = 0.0034602 k( 227) = ( 0.5458900 0.5458900 0.0510771), wk = 0.0034602 k( 228) = ( 0.5688350 0.5688350 0.0766156), wk = 0.0034602 k( 229) = ( 0.5917801 0.5917801 0.1021542), wk = 0.0034602 k( 230) = ( 0.6147251 0.6147251 0.1276927), wk = 0.0034602 k( 231) = ( 0.6376701 0.6376701 0.1532313), wk = 0.0034602 k( 232) = ( 0.6606151 0.6606151 0.1787698), wk = 0.0034602 k( 233) = ( 0.6606151 0.6606151 0.1787698), wk = 0.0034602 k( 234) = ( 0.6568799 0.6568799 0.1862403), wk = 0.0034602 k( 235) = ( 0.6531446 0.6531446 0.1937108), wk = 0.0034602 k( 236) = ( 0.6494094 0.6494094 0.2011812), wk = 0.0034602 k( 237) = ( 0.6456741 0.6456741 0.2086517), wk = 0.0034602 k( 238) = ( 0.6419389 0.6419389 0.2161222), wk = 0.0034602 k( 239) = ( 0.6382037 0.6382037 0.2235926), wk = 0.0034602 k( 240) = ( 0.6344684 0.6344684 0.2310631), wk = 0.0034602 k( 241) = ( 0.6307332 0.6307332 0.2385336), wk = 0.0034602 k( 242) = ( 0.6269980 0.6269980 0.2460041), wk = 0.0034602 k( 243) = ( 0.6232627 0.6232627 0.2534745), wk = 0.0034602 k( 244) = ( 0.6195275 0.6195275 0.2609450), wk = 0.0034602 k( 245) = ( 0.6157923 0.6157923 0.2684155), wk = 0.0034602 k( 246) = ( 0.6120570 0.6120570 0.2758859), wk = 0.0034602 k( 247) = ( 0.6083218 0.6083218 0.2833564), wk = 0.0034602 k( 248) = ( 0.6045866 0.6045866 0.2908269), wk = 0.0034602 k( 249) = ( 0.6008513 0.6008513 0.2982973), wk = 0.0034602 k( 250) = ( 0.5971161 0.5971161 0.3057678), wk = 0.0034602 k( 251) = ( 0.5933809 0.5933809 0.3132383), wk = 0.0034602 k( 252) = ( 0.5896456 0.5896456 0.3207087), wk = 0.0034602 k( 253) = ( 0.5859104 0.5859104 0.3281792), wk = 0.0034602 k( 254) = ( 0.5821752 0.5821752 0.3356497), wk = 0.0034602 k( 255) = ( 0.5784399 0.5784399 0.3431201), wk = 0.0034602 k( 256) = ( 0.5747047 0.5747047 0.3505906), wk = 0.0034602 k( 257) = ( 0.5709695 0.5709695 0.3580611), wk = 0.0034602 k( 258) = ( 0.5672342 0.5672342 0.3655316), wk = 0.0034602 k( 259) = ( 0.5634990 0.5634990 0.3730020), wk = 0.0034602 k( 260) = ( 0.5597638 0.5597638 0.3804725), wk = 0.0034602 k( 261) = ( 0.5560285 0.5560285 0.3879430), wk = 0.0034602 k( 262) = ( 0.5522933 0.5522933 0.3954134), wk = 0.0034602 k( 263) = ( 0.5485581 0.5485580 0.4028839), wk = 0.0034602 k( 264) = ( 0.5448228 0.5448228 0.4103544), wk = 0.0034602 k( 265) = ( 0.5410876 0.5410876 0.4178248), wk = 0.0034602 k( 266) = ( 0.5373523 0.5373523 0.4252953), wk = 0.0034602 k( 267) = ( 0.5336171 0.5336171 0.4327658), wk = 0.0034602 k( 268) = ( 0.5298819 0.5298819 0.4402362), wk = 0.0034602 k( 269) = ( 0.5261466 0.5261466 0.4477067), wk = 0.0034602 k( 270) = ( 0.5224114 0.5224114 0.4551772), wk = 0.0034602 k( 271) = ( 0.5186762 0.5186762 0.4626477), wk = 0.0034602 k( 272) = ( 0.5149409 0.5149409 0.4701181), wk = 0.0034602 k( 273) = ( 0.5112057 0.5112057 0.4775886), wk = 0.0034602 k( 274) = ( 0.5074705 0.5074705 0.4850591), wk = 0.0034602 k( 275) = ( 0.5037352 0.5037352 0.4925295), wk = 0.0034602 k( 276) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034602 k( 277) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0034602 k( 278) = ( 0.5267692 0.0282821 0.0282821), wk = 0.0034602 k( 279) = ( 0.5535384 0.0565641 0.0565641), wk = 0.0034602 k( 280) = ( 0.5803075 0.0848462 0.0848462), wk = 0.0034602 k( 281) = ( 0.6070767 0.1131283 0.1131283), wk = 0.0034602 k( 282) = ( 0.6338459 0.1414104 0.1414104), wk = 0.0034602 k( 283) = ( 0.6606151 0.1696925 0.1696925), wk = 0.0034602 k( 284) = ( 0.6873843 0.1979745 0.1979745), wk = 0.0034602 k( 285) = ( 0.7141534 0.2262566 0.2262566), wk = 0.0034602 k( 286) = ( 0.7409226 0.2545387 0.2545387), wk = 0.0034602 k( 287) = ( 0.7676918 0.2828208 0.2828208), wk = 0.0034602 k( 288) = ( 0.7944610 0.3111028 0.3111028), wk = 0.0034602 k( 289) = ( 0.8212302 0.3393849 0.3393849), wk = 0.0034602 Dense grid: 86585 G-vectors FFT dimensions: ( 100, 100, 100) Smooth grid: 41751 G-vectors FFT dimensions: ( 80, 80, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.22 Mb ( 302, 48) NL pseudopotentials 0.29 Mb ( 151, 124) Each V/rho on FFT grid 0.46 Mb ( 30000) Each G-vector array 0.02 Mb ( 2405) G-vector shells 0.02 Mb ( 2025) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.88 Mb ( 302, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.18 Mb ( 124, 2, 48) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./Sr2BBrN2.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.3 secs Computing kpt #: 2 total cpu time spent up to now is 5.7 secs Computing kpt #: 3 total cpu time spent up to now is 7.4 secs Computing kpt #: 4 total cpu time spent up to now is 9.4 secs Computing kpt #: 5 total cpu time spent up to now is 11.1 secs Computing kpt #: 6 total cpu time spent up to now is 12.7 secs Computing kpt #: 7 total cpu time spent up to now is 14.0 secs Computing kpt #: 8 total cpu time spent up to now is 15.3 secs Computing kpt #: 9 total cpu time spent up to now is 16.5 secs Computing kpt #: 10 total cpu time spent up to now is 17.8 secs Computing kpt #: 11 total cpu time spent up to now is 19.0 secs Computing kpt #: 12 total cpu time spent up to now is 20.3 secs Computing kpt #: 13 total cpu time spent up to now is 21.3 secs Computing kpt #: 14 total cpu time spent up to now is 22.4 secs Computing kpt #: 15 total cpu time spent up to now is 23.5 secs Computing kpt #: 16 total cpu time spent up to now is 24.5 secs Computing kpt #: 17 total cpu time spent up to now is 25.6 secs Computing kpt #: 18 total cpu time spent up to now is 26.6 secs Computing kpt #: 19 total cpu time spent up to now is 27.7 secs Computing kpt #: 20 total cpu time spent up to now is 28.7 secs Computing kpt #: 21 total cpu time spent up to now is 30.0 secs Computing kpt #: 22 total cpu time spent up to now is 31.2 secs Computing kpt #: 23 total cpu time spent up to now is 33.3 secs Computing kpt #: 24 total cpu time spent up to now is 34.4 secs Computing kpt #: 25 total cpu time spent up to now is 35.6 secs Computing kpt #: 26 total cpu time spent up to now is 36.7 secs Computing kpt #: 27 total cpu time spent up to now is 37.7 secs Computing kpt #: 28 total cpu time spent up to now is 38.8 secs Computing kpt #: 29 total cpu time spent up to now is 39.9 secs Computing kpt #: 30 total cpu time spent up to now is 40.9 secs Computing kpt #: 31 total cpu time spent up to now is 42.0 secs Computing kpt #: 32 total cpu time spent up to now is 43.1 secs Computing kpt #: 33 total cpu time spent up to now is 44.1 secs Computing kpt #: 34 total cpu time spent up to now is 45.2 secs Computing kpt #: 35 total cpu time spent up to now is 46.2 secs Computing kpt #: 36 total cpu time spent up to now is 47.3 secs Computing kpt #: 37 total cpu time spent up to now is 48.3 secs Computing kpt #: 38 total cpu time spent up to now is 49.4 secs Computing kpt #: 39 total cpu time spent up to now is 50.4 secs Computing kpt #: 40 total cpu time spent up to now is 51.4 secs Computing kpt #: 41 total cpu time spent up to now is 52.5 secs Computing kpt #: 42 total cpu time spent up to now is 53.5 secs Computing kpt #: 43 total cpu time spent up to now is 54.5 secs Computing kpt #: 44 total cpu time spent up to now is 55.5 secs Computing kpt #: 45 total cpu time spent up to now is 56.6 secs Computing kpt #: 46 total cpu time spent up to now is 57.6 secs Computing kpt #: 47 total cpu time spent up to now is 58.6 secs Computing kpt #: 48 total cpu time spent up to now is 59.7 secs Computing kpt #: 49 total cpu time spent up to now is 60.7 secs Computing kpt #: 50 total cpu time spent up to now is 61.7 secs Computing kpt #: 51 total cpu time spent up to now is 62.8 secs Computing kpt #: 52 total cpu time spent up to now is 63.9 secs Computing kpt #: 53 total cpu time spent up to now is 64.9 secs Computing kpt #: 54 total cpu time spent up to now is 66.0 secs Computing kpt #: 55 total cpu time spent up to now is 67.0 secs Computing kpt #: 56 total cpu time spent up to now is 68.0 secs Computing kpt #: 57 total cpu time spent up to now is 69.1 secs Computing kpt #: 58 total cpu time spent up to now is 70.1 secs Computing kpt #: 59 total cpu time spent up to now is 71.2 secs Computing kpt #: 60 total cpu time spent up to now is 72.2 secs Computing kpt #: 61 total cpu time spent up to now is 73.2 secs Computing kpt #: 62 total cpu time spent up to now is 74.3 secs Computing kpt #: 63 total cpu time spent up to now is 75.3 secs Computing kpt #: 64 total cpu time spent up to now is 76.4 secs Computing kpt #: 65 total cpu time spent up to now is 77.5 secs Computing kpt #: 66 total cpu time spent up to now is 78.5 secs Computing kpt #: 67 total cpu time spent up to now is 79.8 secs Computing kpt #: 68 total cpu time spent up to now is 81.0 secs Computing kpt #: 69 total cpu time spent up to now is 82.1 secs Computing kpt #: 70 total cpu time spent up to now is 83.3 secs Computing kpt #: 71 total cpu time spent up to now is 84.4 secs Computing kpt #: 72 total cpu time spent up to now is 85.5 secs Computing kpt #: 73 total cpu time spent up to now is 86.5 secs Computing kpt #: 74 total cpu time spent up to now is 87.6 secs Computing kpt #: 75 total cpu time spent up to now is 88.8 secs Computing kpt #: 76 total cpu time spent up to now is 89.9 secs Computing kpt #: 77 total cpu time spent up to now is 91.0 secs Computing kpt #: 78 total cpu time spent up to now is 92.0 secs Computing kpt #: 79 total cpu time spent up to now is 93.1 secs Computing kpt #: 80 total cpu time spent up to now is 94.2 secs Computing kpt #: 81 total cpu time spent up to now is 95.2 secs Computing kpt #: 82 total cpu time spent up to now is 96.5 secs Computing kpt #: 83 total cpu time spent up to now is 97.6 secs Computing kpt #: 84 total cpu time spent up to now is 98.6 secs Computing kpt #: 85 total cpu time spent up to now is 99.7 secs Computing kpt #: 86 total cpu time spent up to now is 100.8 secs Computing kpt #: 87 total cpu time spent up to now is 101.9 secs Computing kpt #: 88 total cpu time spent up to now is 103.0 secs Computing kpt #: 89 total cpu time spent up to now is 104.1 secs Computing kpt #: 90 total cpu time spent up to now is 105.2 secs Computing kpt #: 91 total cpu time spent up to now is 106.2 secs Computing kpt #: 92 total cpu time spent up to now is 107.2 secs Computing kpt #: 93 total cpu time spent up to now is 108.3 secs Computing kpt #: 94 total cpu time spent up to now is 109.3 secs Computing kpt #: 95 total cpu time spent up to now is 110.4 secs Computing kpt #: 96 total cpu time spent up to now is 111.4 secs Computing kpt #: 97 total cpu time spent up to now is 112.4 secs Computing kpt #: 98 total cpu time spent up to now is 113.5 secs Computing kpt #: 99 total cpu time spent up to now is 114.5 secs Computing kpt #: 100 total cpu time spent up to now is 115.5 secs Computing kpt #: 101 total cpu time spent up to now is 116.5 secs Computing kpt #: 102 total cpu time spent up to now is 117.5 secs Computing kpt #: 103 total cpu time spent up to now is 118.6 secs Computing kpt #: 104 total cpu time spent up to now is 119.6 secs Computing kpt #: 105 total cpu time spent up to now is 120.6 secs Computing kpt #: 106 total cpu time spent up to now is 121.6 secs Computing kpt #: 107 total cpu time spent up to now is 122.6 secs Computing kpt #: 108 total cpu time spent up to now is 123.6 secs Computing kpt #: 109 total cpu time spent up to now is 124.7 secs Computing kpt #: 110 total cpu time spent up to now is 125.8 secs Computing kpt #: 111 total cpu time spent up to now is 126.8 secs Computing kpt #: 112 total cpu time spent up to now is 127.8 secs Computing kpt #: 113 total cpu time spent up to now is 128.8 secs Computing kpt #: 114 total cpu time spent up to now is 129.9 secs Computing kpt #: 115 total cpu time spent up to now is 130.9 secs Computing kpt #: 116 total cpu time spent up to now is 131.9 secs Computing kpt #: 117 total cpu time spent up to now is 133.0 secs Computing kpt #: 118 total cpu time spent up to now is 134.0 secs Computing kpt #: 119 total cpu time spent up to now is 135.0 secs Computing kpt #: 120 total cpu time spent up to now is 136.1 secs Computing kpt #: 121 total cpu time spent up to now is 137.1 secs Computing kpt #: 122 total cpu time spent up to now is 138.1 secs Computing kpt #: 123 total cpu time spent up to now is 139.4 secs Computing kpt #: 124 total cpu time spent up to now is 140.6 secs Computing kpt #: 125 total cpu time spent up to now is 141.9 secs Computing kpt #: 126 total cpu time spent up to now is 143.1 secs Computing kpt #: 127 total cpu time spent up to now is 144.3 secs Computing kpt #: 128 total cpu time spent up to now is 145.6 secs Computing kpt #: 129 total cpu time spent up to now is 146.8 secs Computing kpt #: 130 total cpu time spent up to now is 148.1 secs Computing kpt #: 131 total cpu time spent up to now is 149.3 secs Computing kpt #: 132 total cpu time spent up to now is 150.6 secs Computing kpt #: 133 total cpu time spent up to now is 151.8 secs Computing kpt #: 134 total cpu time spent up to now is 153.1 secs Computing kpt #: 135 total cpu time spent up to now is 154.4 secs Computing kpt #: 136 total cpu time spent up to now is 155.7 secs Computing kpt #: 137 total cpu time spent up to now is 157.0 secs Computing kpt #: 138 total cpu time spent up to now is 158.3 secs Computing kpt #: 139 total cpu time spent up to now is 159.6 secs Computing kpt #: 140 total cpu time spent up to now is 161.0 secs Computing kpt #: 141 total cpu time spent up to now is 162.4 secs Computing kpt #: 142 total cpu time spent up to now is 163.8 secs Computing kpt #: 143 total cpu time spent up to now is 165.2 secs Computing kpt #: 144 total cpu time spent up to now is 166.7 secs Computing kpt #: 145 total cpu time spent up to now is 168.3 secs Computing kpt #: 146 total cpu time spent up to now is 169.8 secs Computing kpt #: 147 total cpu time spent up to now is 171.6 secs Computing kpt #: 148 total cpu time spent up to now is 173.0 secs Computing kpt #: 149 total cpu time spent up to now is 174.4 secs Computing kpt #: 150 total cpu time spent up to now is 175.7 secs Computing kpt #: 151 total cpu time spent up to now is 176.9 secs Computing kpt #: 152 total cpu time spent up to now is 178.1 secs Computing kpt #: 153 total cpu time spent up to now is 179.4 secs Computing kpt #: 154 total cpu time spent up to now is 180.6 secs Computing kpt #: 155 total cpu time spent up to now is 181.9 secs Computing kpt #: 156 total cpu time spent up to now is 183.1 secs Computing kpt #: 157 total cpu time spent up to now is 184.2 secs Computing kpt #: 158 total cpu time spent up to now is 185.3 secs Computing kpt #: 159 total cpu time spent up to now is 186.3 secs Computing kpt #: 160 total cpu time spent up to now is 187.6 secs Computing kpt #: 161 total cpu time spent up to now is 188.7 secs Computing kpt #: 162 total cpu time spent up to now is 189.9 secs Computing kpt #: 163 total cpu time spent up to now is 191.1 secs Computing kpt #: 164 total cpu time spent up to now is 192.2 secs Computing kpt #: 165 total cpu time spent up to now is 193.3 secs Computing kpt #: 166 total cpu time spent up to now is 194.3 secs Computing kpt #: 167 total cpu time spent up to now is 195.4 secs Computing kpt #: 168 total cpu time spent up to now is 196.5 secs Computing kpt #: 169 total cpu time spent up to now is 197.6 secs Computing kpt #: 170 total cpu time spent up to now is 198.7 secs Computing kpt #: 171 total cpu time spent up to now is 199.8 secs Computing kpt #: 172 total cpu time spent up to now is 200.9 secs Computing kpt #: 173 total cpu time spent up to now is 201.9 secs Computing kpt #: 174 total cpu time spent up to now is 203.0 secs Computing kpt #: 175 total cpu time spent up to now is 204.1 secs Computing kpt #: 176 total cpu time spent up to now is 205.2 secs Computing kpt #: 177 total cpu time spent up to now is 206.5 secs Computing kpt #: 178 total cpu time spent up to now is 207.7 secs Computing kpt #: 179 total cpu time spent up to now is 208.8 secs Computing kpt #: 180 total cpu time spent up to now is 209.9 secs Computing kpt #: 181 total cpu time spent up to now is 210.9 secs Computing kpt #: 182 total cpu time spent up to now is 212.0 secs Computing kpt #: 183 total cpu time spent up to now is 213.0 secs Computing kpt #: 184 total cpu time spent up to now is 214.0 secs Computing kpt #: 185 total cpu time spent up to now is 215.0 secs Computing kpt #: 186 total cpu time spent up to now is 216.0 secs Computing kpt #: 187 total cpu time spent up to now is 217.1 secs Computing kpt #: 188 total cpu time spent up to now is 218.1 secs Computing kpt #: 189 total cpu time spent up to now is 219.2 secs Computing kpt #: 190 total cpu time spent up to now is 220.3 secs Computing kpt #: 191 total cpu time spent up to now is 221.3 secs Computing kpt #: 192 total cpu time spent up to now is 222.4 secs Computing kpt #: 193 total cpu time spent up to now is 223.4 secs Computing kpt #: 194 total cpu time spent up to now is 224.5 secs Computing kpt #: 195 total cpu time spent up to now is 225.7 secs Computing kpt #: 196 total cpu time spent up to now is 226.8 secs Computing kpt #: 197 total cpu time spent up to now is 228.1 secs Computing kpt #: 198 total cpu time spent up to now is 229.3 secs Computing kpt #: 199 total cpu time spent up to now is 230.6 secs Computing kpt #: 200 total cpu time spent up to now is 231.8 secs Computing kpt #: 201 total cpu time spent up to now is 232.9 secs Computing kpt #: 202 total cpu time spent up to now is 233.9 secs Computing kpt #: 203 total cpu time spent up to now is 235.0 secs Computing kpt #: 204 total cpu time spent up to now is 236.1 secs Computing kpt #: 205 total cpu time spent up to now is 237.2 secs Computing kpt #: 206 total cpu time spent up to now is 238.2 secs Computing kpt #: 207 total cpu time spent up to now is 239.5 secs Computing kpt #: 208 total cpu time spent up to now is 240.8 secs Computing kpt #: 209 total cpu time spent up to now is 242.0 secs Computing kpt #: 210 total cpu time spent up to now is 243.3 secs Computing kpt #: 211 total cpu time spent up to now is 244.5 secs Computing kpt #: 212 total cpu time spent up to now is 245.8 secs Computing kpt #: 213 total cpu time spent up to now is 247.0 secs Computing kpt #: 214 total cpu time spent up to now is 248.3 secs Computing kpt #: 215 total cpu time spent up to now is 249.5 secs Computing kpt #: 216 total cpu time spent up to now is 250.8 secs Computing kpt #: 217 total cpu time spent up to now is 252.1 secs Computing kpt #: 218 total cpu time spent up to now is 253.1 secs Computing kpt #: 219 total cpu time spent up to now is 254.2 secs Computing kpt #: 220 total cpu time spent up to now is 255.2 secs Computing kpt #: 221 total cpu time spent up to now is 256.3 secs Computing kpt #: 222 total cpu time spent up to now is 257.3 secs Computing kpt #: 223 total cpu time spent up to now is 258.4 secs Computing kpt #: 224 total cpu time spent up to now is 259.4 secs Computing kpt #: 225 total cpu time spent up to now is 260.5 secs Computing kpt #: 226 total cpu time spent up to now is 261.7 secs Computing kpt #: 227 total cpu time spent up to now is 263.0 secs Computing kpt #: 228 total cpu time spent up to now is 264.0 secs Computing kpt #: 229 total cpu time spent up to now is 265.1 secs Computing kpt #: 230 total cpu time spent up to now is 266.1 secs Computing kpt #: 231 total cpu time spent up to now is 267.2 secs Computing kpt #: 232 total cpu time spent up to now is 268.2 secs Computing kpt #: 233 total cpu time spent up to now is 269.3 secs Computing kpt #: 234 total cpu time spent up to now is 270.3 secs Computing kpt #: 235 total cpu time spent up to now is 271.3 secs Computing kpt #: 236 total cpu time spent up to now is 272.4 secs Computing kpt #: 237 total cpu time spent up to now is 273.4 secs Computing kpt #: 238 total cpu time spent up to now is 274.5 secs Computing kpt #: 239 total cpu time spent up to now is 275.5 secs Computing kpt #: 240 total cpu time spent up to now is 276.5 secs Computing kpt #: 241 total cpu time spent up to now is 277.5 secs Computing kpt #: 242 total cpu time spent up to now is 278.6 secs Computing kpt #: 243 total cpu time spent up to now is 279.6 secs Computing kpt #: 244 total cpu time spent up to now is 280.7 secs Computing kpt #: 245 total cpu time spent up to now is 281.7 secs Computing kpt #: 246 total cpu time spent up to now is 282.8 secs Computing kpt #: 247 total cpu time spent up to now is 283.8 secs Computing kpt #: 248 total cpu time spent up to now is 284.9 secs Computing kpt #: 249 total cpu time spent up to now is 286.0 secs Computing kpt #: 250 total cpu time spent up to now is 287.0 secs Computing kpt #: 251 total cpu time spent up to now is 288.1 secs Computing kpt #: 252 total cpu time spent up to now is 289.2 secs Computing kpt #: 253 total cpu time spent up to now is 290.3 secs Computing kpt #: 254 total cpu time spent up to now is 291.3 secs Computing kpt #: 255 total cpu time spent up to now is 292.4 secs Computing kpt #: 256 total cpu time spent up to now is 293.5 secs Computing kpt #: 257 total cpu time spent up to now is 294.6 secs Computing kpt #: 258 total cpu time spent up to now is 295.7 secs Computing kpt #: 259 total cpu time spent up to now is 296.9 secs Computing kpt #: 260 total cpu time spent up to now is 297.9 secs Computing kpt #: 261 total cpu time spent up to now is 299.0 secs Computing kpt #: 262 total cpu time spent up to now is 300.2 secs Computing kpt #: 263 total cpu time spent up to now is 301.5 secs Computing kpt #: 264 total cpu time spent up to now is 302.6 secs Computing kpt #: 265 total cpu time spent up to now is 303.6 secs Computing kpt #: 266 total cpu time spent up to now is 304.9 secs Computing kpt #: 267 total cpu time spent up to now is 306.1 secs Computing kpt #: 268 total cpu time spent up to now is 307.3 secs Computing kpt #: 269 total cpu time spent up to now is 308.6 secs Computing kpt #: 270 total cpu time spent up to now is 309.8 secs Computing kpt #: 271 total cpu time spent up to now is 311.0 secs Computing kpt #: 272 total cpu time spent up to now is 312.2 secs Computing kpt #: 273 total cpu time spent up to now is 313.5 secs Computing kpt #: 274 total cpu time spent up to now is 314.7 secs Computing kpt #: 275 total cpu time spent up to now is 315.9 secs Computing kpt #: 276 total cpu time spent up to now is 317.2 secs Computing kpt #: 277 total cpu time spent up to now is 318.2 secs Computing kpt #: 278 total cpu time spent up to now is 319.3 secs Computing kpt #: 279 total cpu time spent up to now is 320.3 secs Computing kpt #: 280 total cpu time spent up to now is 321.3 secs Computing kpt #: 281 total cpu time spent up to now is 322.3 secs Computing kpt #: 282 total cpu time spent up to now is 323.4 secs Computing kpt #: 283 total cpu time spent up to now is 324.4 secs Computing kpt #: 284 total cpu time spent up to now is 325.4 secs Computing kpt #: 285 total cpu time spent up to now is 326.4 secs Computing kpt #: 286 total cpu time spent up to now is 327.5 secs Computing kpt #: 287 total cpu time spent up to now is 328.5 secs Computing kpt #: 288 total cpu time spent up to now is 329.5 secs Computing kpt #: 289 total cpu time spent up to now is 330.6 secs ethr = 2.50E-08, avg # of iterations = 21.1 total cpu time spent up to now is 330.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5203 PWs) bands (ev): -28.0180 -28.0180 -28.0158 -28.0158 -11.0034 -11.0034 -10.8676 -10.8676 -10.0608 -10.0608 -9.8303 -9.8303 -9.5783 -9.5783 -9.5782 -9.5782 -9.2444 -9.2444 -7.8678 -7.8678 -7.4422 -7.4422 1.5920 1.5920 1.7152 1.7152 2.8046 2.8046 2.9955 2.9955 3.2692 3.2692 3.4711 3.4711 3.5935 3.5935 4.9385 4.9385 4.9537 4.9537 7.9113 7.9113 9.6033 9.6033 11.0026 11.0026 11.0128 11.0128 k = 0.0111-0.0227-0.0136 ( 5205 PWs) bands (ev): -28.0180 -28.0180 -28.0158 -28.0158 -11.0033 -11.0033 -10.8678 -10.8678 -10.0609 -10.0609 -9.8308 -9.8308 -9.5797 -9.5797 -9.5787 -9.5787 -9.2429 -9.2429 -7.8676 -7.8676 -7.4416 -7.4416 1.5923 1.5923 1.7159 1.7159 2.8042 2.8042 2.9953 2.9953 3.2686 3.2686 3.4696 3.4696 3.5915 3.5915 4.9391 4.9391 4.9542 4.9542 7.9154 7.9154 9.6056 9.6056 11.0001 11.0001 11.0120 11.0120 k = 0.0222-0.0455-0.0272 ( 5200 PWs) bands (ev): -28.0179 -28.0179 -28.0157 -28.0157 -11.0032 -11.0032 -10.8682 -10.8682 -10.0612 -10.0612 -9.8321 -9.8321 -9.5838 -9.5838 -9.5800 -9.5800 -9.2387 -9.2387 -7.8669 -7.8669 -7.4397 -7.4397 1.5933 1.5933 1.7179 1.7179 2.8030 2.8030 2.9947 2.9947 3.2669 3.2669 3.4649 3.4649 3.5858 3.5858 4.9408 4.9408 4.9558 4.9558 7.9277 7.9277 9.6127 9.6127 10.9872 10.9872 11.0141 11.0141 k = 0.0333-0.0682-0.0408 ( 5200 PWs) bands (ev): -28.0177 -28.0177 -28.0156 -28.0156 -11.0030 -11.0030 -10.8688 -10.8688 -10.0618 -10.0618 -9.8344 -9.8344 -9.5904 -9.5904 -9.5824 -9.5824 -9.2320 -9.2320 -7.8657 -7.8657 -7.4367 -7.4367 1.5948 1.5948 1.7213 1.7213 2.8010 2.8010 2.9937 2.9937 3.2639 3.2639 3.4568 3.4568 3.5768 3.5768 4.9436 4.9436 4.9585 4.9585 7.9480 7.9480 9.6244 9.6244 10.9597 10.9597 11.0199 11.0199 k = 0.0444-0.0909-0.0544 ( 5200 PWs) bands (ev): -28.0176 -28.0176 -28.0154 -28.0154 -11.0027 -11.0027 -10.8698 -10.8698 -10.0626 -10.0626 -9.8377 -9.8377 -9.5989 -9.5989 -9.5856 -9.5856 -9.2233 -9.2233 -7.8641 -7.8641 -7.4325 -7.4325 1.5970 1.5970 1.7258 1.7258 2.7981 2.7981 2.9925 2.9925 3.2596 3.2596 3.4449 3.4449 3.5656 3.5656 4.9475 4.9475 4.9622 4.9622 7.9760 7.9760 9.6405 9.6405 10.9147 10.9147 11.0187 11.0187 k = 0.0556-0.1137-0.0680 ( 5190 PWs) bands (ev): -28.0173 -28.0173 -28.0152 -28.0152 -11.0023 -11.0023 -10.8709 -10.8709 -10.0637 -10.0637 -9.8419 -9.8419 -9.6089 -9.6089 -9.5896 -9.5896 -9.2130 -9.2130 -7.8619 -7.8619 -7.4272 -7.4272 1.6000 1.6000 1.7313 1.7313 2.7942 2.7942 2.9909 2.9909 3.2540 3.2540 3.4287 3.4287 3.5531 3.5531 4.9523 4.9523 4.9669 4.9669 8.0113 8.0113 9.6605 9.6605 10.8553 10.8553 10.9885 10.9885 k = 0.0667-0.1364-0.0816 ( 5196 PWs) bands (ev): -28.0170 -28.0170 -28.0149 -28.0149 -11.0020 -11.0020 -10.8724 -10.8724 -10.0650 -10.0650 -9.8471 -9.8471 -9.6198 -9.6198 -9.5944 -9.5944 -9.2016 -9.2016 -7.8592 -7.8592 -7.4208 -7.4208 1.6038 1.6038 1.7378 1.7378 2.7892 2.7892 2.9890 2.9890 3.2467 3.2467 3.4082 3.4082 3.5403 3.5403 4.9578 4.9578 4.9725 4.9725 8.0534 8.0534 9.6842 9.6842 10.7886 10.7886 10.9628 10.9628 k = 0.0778-0.1591-0.0952 ( 5202 PWs) bands (ev): -28.0167 -28.0167 -28.0146 -28.0146 -11.0016 -11.0016 -10.8741 -10.8741 -10.0665 -10.0665 -9.8534 -9.8534 -9.6311 -9.6311 -9.5999 -9.5999 -9.1895 -9.1895 -7.8560 -7.8560 -7.4135 -7.4135 1.6084 1.6084 1.7450 1.7450 2.7830 2.7830 2.9870 2.9870 3.2376 3.2376 3.3842 3.3842 3.5278 3.5278 4.9637 4.9637 4.9792 4.9792 8.1018 8.1018 9.7110 9.7110 10.7186 10.7186 10.9400 10.9400 k = 0.0889-0.1819-0.1088 ( 5205 PWs) bands (ev): -28.0163 -28.0163 -28.0142 -28.0142 -11.0013 -11.0013 -10.8760 -10.8760 -10.0683 -10.0683 -9.8607 -9.8607 -9.6426 -9.6426 -9.6060 -9.6060 -9.1771 -9.1771 -7.8521 -7.8521 -7.4053 -7.4053 1.6140 1.6140 1.7529 1.7529 2.7754 2.7754 2.9847 2.9847 3.2259 3.2259 3.3577 3.3577 3.5159 3.5159 4.9699 4.9699 4.9869 4.9869 8.1559 8.1559 9.7402 9.7402 10.6474 10.6474 10.9197 10.9197 k = 0.1000-0.2046-0.1224 ( 5206 PWs) bands (ev): -28.0159 -28.0159 -28.0138 -28.0138 -11.0010 -11.0010 -10.8782 -10.8782 -10.0704 -10.0704 -9.8689 -9.8689 -9.6539 -9.6539 -9.6126 -9.6126 -9.1647 -9.1647 -7.8476 -7.8476 -7.3963 -7.3963 1.6204 1.6204 1.7611 1.7611 2.7662 2.7662 2.9824 2.9824 3.2109 3.2109 3.3307 3.3307 3.5044 3.5044 4.9759 4.9759 4.9958 4.9958 8.2150 8.2150 9.7710 9.7710 10.5760 10.5760 10.9024 10.9024 k = 0.1111-0.2274-0.1359 ( 5212 PWs) bands (ev): -28.0154 -28.0154 -28.0134 -28.0134 -11.0009 -11.0009 -10.8807 -10.8807 -10.0727 -10.0727 -9.8781 -9.8781 -9.6647 -9.6647 -9.6197 -9.6197 -9.1525 -9.1525 -7.8425 -7.8425 -7.3866 -7.3866 1.6278 1.6278 1.7697 1.7697 2.7552 2.7552 2.9800 2.9800 3.1915 3.1915 3.3053 3.3053 3.4933 3.4933 4.9817 4.9817 5.0058 5.0058 8.2784 8.2784 9.8024 9.8024 10.5053 10.5053 10.8885 10.8885 k = 0.1222-0.2501-0.1495 ( 5216 PWs) bands (ev): -28.0149 -28.0149 -28.0129 -28.0129 -11.0008 -11.0008 -10.8833 -10.8833 -10.0753 -10.0753 -9.8880 -9.8880 -9.6750 -9.6750 -9.6271 -9.6271 -9.1409 -9.1409 -7.8368 -7.8368 -7.3763 -7.3763 1.6361 1.6361 1.7783 1.7783 2.7420 2.7420 2.9775 2.9775 3.1673 3.1673 3.2831 3.2831 3.4824 3.4824 4.9871 4.9871 5.0169 5.0169 8.3454 8.3454 9.8333 9.8333 10.4360 10.4360 10.8786 10.8786 k = 0.1333-0.2728-0.1631 ( 5209 PWs) bands (ev): -28.0143 -28.0143 -28.0124 -28.0124 -11.0010 -11.0010 -10.8862 -10.8862 -10.0782 -10.0782 -9.8986 -9.8986 -9.6847 -9.6847 -9.6346 -9.6346 -9.1298 -9.1298 -7.8304 -7.8304 -7.3655 -7.3655 1.6452 1.6452 1.7869 1.7869 2.7264 2.7264 2.9749 2.9749 3.1391 3.1391 3.2646 3.2646 3.4717 3.4717 4.9921 4.9921 5.0290 5.0290 8.4155 8.4155 9.8624 9.8624 10.3689 10.3689 10.8735 10.8735 k = 0.1444-0.2956-0.1767 ( 5211 PWs) bands (ev): -28.0137 -28.0137 -28.0118 -28.0118 -11.0013 -11.0013 -10.8893 -10.8893 -10.0814 -10.0814 -9.9097 -9.9097 -9.6937 -9.6937 -9.6423 -9.6423 -9.1196 -9.1196 -7.8234 -7.8234 -7.3543 -7.3543 1.6551 1.6551 1.7952 1.7952 2.7079 2.7079 2.9722 2.9722 3.1087 3.1087 3.2491 3.2491 3.4612 3.4612 4.9965 4.9965 5.0420 5.0420 8.4878 8.4878 9.8881 9.8881 10.3048 10.3048 10.8736 10.8736 k = 0.1556-0.3183-0.1903 ( 5218 PWs) bands (ev): -28.0131 -28.0131 -28.0112 -28.0112 -11.0019 -11.0019 -10.8927 -10.8927 -10.0848 -10.0848 -9.9210 -9.9210 -9.7022 -9.7022 -9.6499 -9.6499 -9.1103 -9.1103 -7.8157 -7.8157 -7.3427 -7.3427 1.6656 1.6656 1.8033 1.8033 2.6865 2.6865 2.9695 2.9695 3.0780 3.0780 3.2357 3.2357 3.4508 3.4508 5.0003 5.0003 5.0559 5.0559 8.5618 8.5618 9.9085 9.9085 10.2451 10.2451 10.8794 10.8794 k = 0.1667-0.3410-0.2039 ( 5212 PWs) bands (ev): -28.0125 -28.0125 -28.0106 -28.0106 -11.0027 -11.0027 -10.8963 -10.8963 -10.0886 -10.0886 -9.9325 -9.9325 -9.7101 -9.7101 -9.6574 -9.6574 -9.1019 -9.1019 -7.8076 -7.8076 -7.3308 -7.3308 1.6767 1.6767 1.8109 1.8109 2.6619 2.6619 2.9666 2.9666 3.0487 3.0487 3.2235 3.2235 3.4406 3.4406 5.0036 5.0036 5.0704 5.0704 8.6367 8.6367 9.9212 9.9212 10.1916 10.1916 10.8910 10.8910 k = 0.1778-0.3638-0.2175 ( 5215 PWs) bands (ev): -28.0118 -28.0118 -28.0100 -28.0100 -11.0038 -11.0038 -10.9001 -10.9001 -10.0926 -10.0926 -9.9438 -9.9438 -9.7175 -9.7175 -9.6646 -9.6646 -9.0946 -9.0946 -7.7988 -7.7988 -7.3188 -7.3188 1.6881 1.6881 1.8181 1.8181 2.6342 2.6342 2.9634 2.9634 3.0218 3.0218 3.2123 3.2123 3.4307 3.4307 5.0062 5.0062 5.0856 5.0856 8.7120 8.7120 9.9235 9.9235 10.1469 10.1469 10.9083 10.9083 k = 0.1889-0.3865-0.2311 ( 5219 PWs) bands (ev): -28.0111 -28.0111 -28.0093 -28.0093 -11.0053 -11.0053 -10.9041 -10.9041 -10.0969 -10.0969 -9.9550 -9.9550 -9.7245 -9.7245 -9.6715 -9.6715 -9.0883 -9.0883 -7.7897 -7.7897 -7.3066 -7.3066 1.6994 1.6994 1.8248 1.8248 2.6039 2.6039 2.9598 2.9598 2.9980 2.9980 3.2016 3.2016 3.4210 3.4210 5.0082 5.0082 5.1013 5.1013 8.7871 8.7871 9.9129 9.9129 10.1135 10.1135 10.9306 10.9306 k = 0.2000-0.4092-0.2447 ( 5217 PWs) bands (ev): -28.0104 -28.0104 -28.0086 -28.0086 -11.0070 -11.0070 -10.9083 -10.9083 -10.1015 -10.1015 -9.9657 -9.9657 -9.7311 -9.7311 -9.6781 -9.6781 -9.0831 -9.0831 -7.7800 -7.7800 -7.2944 -7.2944 1.7104 1.7104 1.8311 1.8311 2.5717 2.5717 2.9548 2.9548 2.9781 2.9781 3.1914 3.1914 3.4118 3.4118 5.0096 5.0096 5.1175 5.1175 8.8613 8.8613 9.8896 9.8896 10.0916 10.0916 10.9563 10.9563 k = 0.2111-0.4320-0.2583 ( 5221 PWs) bands (ev): -28.0096 -28.0096 -28.0079 -28.0079 -11.0091 -11.0091 -10.9128 -10.9128 -10.1062 -10.1062 -9.9760 -9.9760 -9.7373 -9.7373 -9.6841 -9.6841 -9.0790 -9.0790 -7.7701 -7.7701 -7.2822 -7.2822 1.7203 1.7203 1.8373 1.8373 2.5383 2.5383 2.9461 2.9461 2.9644 2.9644 3.1817 3.1817 3.4029 3.4029 5.0105 5.0105 5.1341 5.1341 8.9341 8.9341 9.8579 9.8579 10.0778 10.0778 10.9833 10.9833 k = 0.2222-0.4547-0.2719 ( 5221 PWs) bands (ev): -28.0089 -28.0089 -28.0072 -28.0072 -11.0115 -11.0115 -10.9176 -10.9176 -10.1111 -10.1111 -9.9858 -9.9858 -9.7431 -9.7431 -9.6897 -9.6897 -9.0759 -9.0759 -7.7599 -7.7599 -7.2700 -7.2700 1.7286 1.7286 1.8437 1.8437 2.5047 2.5047 2.9327 2.9327 2.9571 2.9571 3.1724 3.1724 3.3946 3.3946 5.0108 5.0108 5.1510 5.1510 9.0049 9.0049 9.8226 9.8226 10.0680 10.0680 11.0079 11.0079 k = 0.2333-0.4774-0.2855 ( 5221 PWs) bands (ev): -28.0081 -28.0081 -28.0065 -28.0065 -11.0141 -11.0141 -10.9225 -10.9225 -10.1161 -10.1161 -9.9951 -9.9951 -9.7486 -9.7486 -9.6949 -9.6949 -9.0739 -9.0739 -7.7495 -7.7495 -7.2579 -7.2579 1.7344 1.7344 1.8508 1.8508 2.4718 2.4718 2.9182 2.9182 2.9524 2.9524 3.1637 3.1637 3.3869 3.3869 5.0107 5.0107 5.1681 5.1681 9.0731 9.0731 9.7874 9.7874 10.0598 10.0598 11.0252 11.0252 k = 0.2444-0.5002-0.2991 ( 5221 PWs) bands (ev): -28.0073 -28.0073 -28.0058 -28.0058 -11.0171 -11.0171 -10.9278 -10.9278 -10.1210 -10.1210 -10.0038 -10.0038 -9.7535 -9.7535 -9.6995 -9.6995 -9.0729 -9.0729 -7.7389 -7.7389 -7.2460 -7.2460 1.7370 1.7370 1.8591 1.8591 2.4406 2.4406 2.9038 2.9038 2.9483 2.9483 3.1557 3.1557 3.3797 3.3797 5.0102 5.0102 5.1854 5.1854 9.1379 9.1379 9.7544 9.7544 10.0523 10.0523 11.0304 11.0304 k = 0.2556-0.5229-0.3127 ( 5219 PWs) bands (ev): -28.0065 -28.0065 -28.0051 -28.0051 -11.0203 -11.0203 -10.9332 -10.9332 -10.1258 -10.1258 -10.0120 -10.0120 -9.7580 -9.7580 -9.7038 -9.7038 -9.0728 -9.0728 -7.7284 -7.7284 -7.2342 -7.2342 1.7356 1.7356 1.8689 1.8689 2.4119 2.4119 2.8897 2.8897 2.9443 2.9443 3.1485 3.1485 3.3732 3.3732 5.0095 5.0095 5.2026 5.2026 9.1987 9.1987 9.7252 9.7252 10.0453 10.0453 11.0222 11.0222 k = 0.2667-0.5456-0.3263 ( 5220 PWs) bands (ev): -28.0058 -28.0058 -28.0043 -28.0043 -11.0237 -11.0237 -10.9390 -10.9390 -10.1305 -10.1305 -10.0198 -10.0198 -9.7620 -9.7620 -9.7076 -9.7076 -9.0736 -9.0736 -7.7179 -7.7179 -7.2226 -7.2226 1.7303 1.7303 1.8802 1.8802 2.3861 2.3861 2.8754 2.8754 2.9400 2.9400 3.1422 3.1422 3.3673 3.3673 5.0085 5.0085 5.2199 5.2199 9.2544 9.2544 9.7009 9.7009 10.0392 10.0392 11.0040 11.0040 k = 0.2778-0.5684-0.3399 ( 5222 PWs) bands (ev): -28.0050 -28.0050 -28.0036 -28.0036 -11.0273 -11.0273 -10.9449 -10.9449 -10.1349 -10.1349 -10.0272 -10.0272 -9.7653 -9.7653 -9.7111 -9.7111 -9.0752 -9.0752 -7.7075 -7.7075 -7.2113 -7.2113 1.7210 1.7210 1.8928 1.8928 2.3639 2.3639 2.8608 2.8608 2.9355 2.9355 3.1369 3.1369 3.3621 3.3621 5.0075 5.0075 5.2370 5.2370 9.3036 9.3036 9.6826 9.6826 10.0347 10.0347 10.9798 10.9798 k = 0.2889-0.5911-0.3535 ( 5221 PWs) bands (ev): -28.0042 -28.0042 -28.0029 -28.0029 -11.0309 -11.0309 -10.9511 -10.9511 -10.1391 -10.1391 -10.0342 -10.0342 -9.7680 -9.7680 -9.7142 -9.7142 -9.0776 -9.0776 -7.6973 -7.6973 -7.2003 -7.2003 1.7081 1.7081 1.9063 1.9063 2.3455 2.3455 2.8455 2.8455 2.9306 2.9306 3.1328 3.1328 3.3575 3.3575 5.0065 5.0065 5.2539 5.2539 9.3450 9.3450 9.6715 9.6715 10.0324 10.0324 10.9522 10.9522 k = 0.3000-0.6139-0.3671 ( 5226 PWs) bands (ev): -28.0035 -28.0035 -28.0022 -28.0022 -11.0347 -11.0347 -10.9575 -10.9575 -10.1428 -10.1428 -10.0409 -10.0409 -9.7701 -9.7701 -9.7170 -9.7170 -9.0806 -9.0806 -7.6874 -7.6874 -7.1896 -7.1896 1.6921 1.6921 1.9205 1.9205 2.3309 2.3309 2.8294 2.8294 2.9253 2.9253 3.1298 3.1298 3.3535 3.3535 5.0056 5.0056 5.2705 5.2705 9.3772 9.3772 9.6683 9.6683 10.0333 10.0333 10.9229 10.9229 k = 0.3111-0.6366-0.3806 ( 5217 PWs) bands (ev): -28.0027 -28.0027 -28.0016 -28.0016 -11.0384 -11.0384 -10.9640 -10.9640 -10.1461 -10.1461 -10.0474 -10.0474 -9.7715 -9.7715 -9.7196 -9.7196 -9.0843 -9.0843 -7.6778 -7.6778 -7.1792 -7.1792 1.6736 1.6736 1.9351 1.9351 2.3200 2.3200 2.8124 2.8124 2.9195 2.9195 3.1281 3.1281 3.3500 3.3500 5.0049 5.0049 5.2867 5.2867 9.3998 9.3998 9.6729 9.6729 10.0382 10.0382 10.8928 10.8928 k = 0.3222-0.6593-0.3942 ( 5221 PWs) bands (ev): -28.0020 -28.0020 -28.0009 -28.0009 -11.0421 -11.0421 -10.9707 -10.9707 -10.1491 -10.1491 -10.0536 -10.0536 -9.7722 -9.7722 -9.7219 -9.7219 -9.0885 -9.0885 -7.6686 -7.6686 -7.1691 -7.1691 1.6532 1.6532 1.9500 1.9500 2.3125 2.3125 2.7944 2.7944 2.9134 2.9134 3.1274 3.1274 3.3471 3.3471 5.0045 5.0045 5.3025 5.3025 9.4137 9.4137 9.6839 9.6839 10.0476 10.0476 10.8624 10.8624 k = 0.3333-0.6821-0.4078 ( 5219 PWs) bands (ev): -28.0013 -28.0013 -28.0003 -28.0003 -11.0458 -11.0458 -10.9774 -10.9774 -10.1515 -10.1515 -10.0596 -10.0596 -9.7724 -9.7724 -9.7239 -9.7239 -9.0931 -9.0931 -7.6599 -7.6599 -7.1595 -7.1595 1.6314 1.6314 1.9651 1.9651 2.3082 2.3082 2.7753 2.7753 2.9070 2.9070 3.1278 3.1278 3.3446 3.3446 5.0044 5.0044 5.3177 5.3177 9.4209 9.4209 9.6989 9.6989 10.0619 10.0619 10.8320 10.8320 k = 0.3444-0.7048-0.4214 ( 5217 PWs) bands (ev): -28.0006 -28.0006 -27.9997 -27.9997 -11.0493 -11.0493 -10.9842 -10.9842 -10.1536 -10.1536 -10.0655 -10.0655 -9.7719 -9.7719 -9.7258 -9.7258 -9.0980 -9.0980 -7.6516 -7.6516 -7.1503 -7.1503 1.6089 1.6089 1.9803 1.9803 2.3066 2.3066 2.7551 2.7551 2.9005 2.9005 3.1289 3.1289 3.3426 3.3426 5.0047 5.0047 5.3324 5.3324 9.4238 9.4238 9.7157 9.7157 10.0809 10.0809 10.8018 10.8018 k = 0.3556-0.7275-0.4350 ( 5223 PWs) bands (ev): -28.0000 -28.0000 -27.9991 -27.9991 -11.0526 -11.0526 -10.9910 -10.9910 -10.1551 -10.1551 -10.0711 -10.0711 -9.7710 -9.7710 -9.7275 -9.7275 -9.1033 -9.1033 -7.6438 -7.6438 -7.1415 -7.1415 1.5861 1.5861 1.9955 1.9955 2.3072 2.3072 2.7340 2.7340 2.8939 2.8939 3.1308 3.1308 3.3410 3.3410 5.0054 5.0054 5.3464 5.3464 9.4240 9.4240 9.7330 9.7330 10.1038 10.1038 10.7720 10.7720 k = 0.3667-0.7503-0.4486 ( 5220 PWs) bands (ev): -27.9994 -27.9994 -27.9986 -27.9986 -11.0556 -11.0556 -10.9978 -10.9978 -10.1563 -10.1563 -10.0766 -10.0766 -9.7696 -9.7696 -9.7290 -9.7290 -9.1086 -9.1086 -7.6366 -7.6366 -7.1333 -7.1333 1.5635 1.5635 2.0108 2.0108 2.3096 2.3096 2.7121 2.7121 2.8874 2.8874 3.1331 3.1331 3.3397 3.3397 5.0065 5.0065 5.3596 5.3596 9.4228 9.4228 9.7504 9.7504 10.1295 10.1295 10.7428 10.7428 k = 0.3778-0.7730-0.4622 ( 5220 PWs) bands (ev): -27.9988 -27.9988 -27.9980 -27.9980 -11.0584 -11.0584 -11.0044 -11.0044 -10.1571 -10.1571 -10.0819 -10.0819 -9.7677 -9.7677 -9.7304 -9.7304 -9.1140 -9.1140 -7.6299 -7.6299 -7.1255 -7.1255 1.5416 1.5416 2.0262 2.0262 2.3135 2.3135 2.6895 2.6895 2.8811 2.8811 3.1358 3.1358 3.3386 3.3386 5.0080 5.0080 5.3720 5.3720 9.4207 9.4207 9.7682 9.7682 10.1567 10.1567 10.7144 10.7144 k = 0.3889-0.7957-0.4758 ( 5220 PWs) bands (ev): -27.9983 -27.9983 -27.9976 -27.9976 -11.0609 -11.0609 -11.0109 -11.0109 -10.1575 -10.1575 -10.0870 -10.0870 -9.7656 -9.7656 -9.7316 -9.7316 -9.1194 -9.1194 -7.6238 -7.6238 -7.1184 -7.1184 1.5206 1.5206 2.0416 2.0416 2.3183 2.3183 2.6664 2.6664 2.8752 2.8752 3.1387 3.1387 3.3378 3.3378 5.0098 5.0098 5.3835 5.3835 9.4182 9.4182 9.7866 9.7866 10.1836 10.1836 10.6873 10.6873 k = 0.4000-0.8185-0.4894 ( 5228 PWs) bands (ev): -27.9978 -27.9978 -27.9972 -27.9972 -11.0630 -11.0630 -11.0171 -11.0171 -10.1576 -10.1576 -10.0919 -10.0919 -9.7633 -9.7633 -9.7328 -9.7328 -9.1246 -9.1246 -7.6183 -7.6183 -7.1117 -7.1117 1.5009 1.5009 2.0570 2.0570 2.3239 2.3239 2.6431 2.6431 2.8696 2.8696 3.1416 3.1416 3.3372 3.3372 5.0119 5.0119 5.3942 5.3942 9.4154 9.4154 9.8062 9.8062 10.2087 10.2087 10.6621 10.6621 k = 0.4111-0.8412-0.5030 ( 5226 PWs) bands (ev): -27.9973 -27.9973 -27.9968 -27.9968 -11.0647 -11.0647 -11.0231 -11.0231 -10.1573 -10.1573 -10.0965 -10.0965 -9.7608 -9.7608 -9.7338 -9.7338 -9.1296 -9.1296 -7.6133 -7.6133 -7.1057 -7.1057 1.4827 1.4827 2.0722 2.0722 2.3300 2.3300 2.6198 2.6198 2.8644 2.8644 3.1445 3.1445 3.3368 3.3368 5.0141 5.0141 5.4038 5.4038 9.4125 9.4125 9.8270 9.8270 10.2303 10.2303 10.6395 10.6395 k = 0.4222-0.8639-0.5166 ( 5226 PWs) bands (ev): -27.9969 -27.9969 -27.9964 -27.9964 -11.0661 -11.0661 -11.0288 -11.0288 -10.1568 -10.1568 -10.1009 -10.1009 -9.7583 -9.7583 -9.7347 -9.7347 -9.1343 -9.1343 -7.6090 -7.6090 -7.1004 -7.1004 1.4662 1.4662 2.0872 2.0872 2.3363 2.3363 2.5968 2.5968 2.8597 2.8597 3.1472 3.1472 3.3365 3.3365 5.0164 5.0164 5.4124 5.4124 9.4096 9.4096 9.8490 9.8490 10.2468 10.2468 10.6204 10.6204 k = 0.4333-0.8867-0.5302 ( 5228 PWs) bands (ev): -27.9966 -27.9966 -27.9961 -27.9961 -11.0670 -11.0670 -11.0341 -11.0341 -10.1561 -10.1561 -10.1049 -10.1049 -9.7558 -9.7558 -9.7356 -9.7356 -9.1386 -9.1386 -7.6052 -7.6052 -7.0956 -7.0956 1.4517 1.4517 2.1015 2.1015 2.3426 2.3426 2.5746 2.5746 2.8556 2.8556 3.1497 3.1497 3.3362 3.3362 5.0187 5.0187 5.4200 5.4200 9.4068 9.4068 9.8721 9.8721 10.2571 10.2571 10.6057 10.6057 k = 0.4444-0.9094-0.5438 ( 5236 PWs) bands (ev): -27.9963 -27.9963 -27.9959 -27.9959 -11.0675 -11.0675 -11.0389 -11.0389 -10.1552 -10.1552 -10.1086 -10.1086 -9.7535 -9.7535 -9.7363 -9.7363 -9.1424 -9.1424 -7.6021 -7.6021 -7.0916 -7.0916 1.4391 1.4391 2.1150 2.1150 2.3489 2.3489 2.5537 2.5537 2.8521 2.8521 3.1519 3.1519 3.3361 3.3361 5.0208 5.0208 5.4265 5.4265 9.4042 9.4042 9.8957 9.8957 10.2604 10.2604 10.5959 10.5959 k = 0.4556-0.9322-0.5574 ( 5221 PWs) bands (ev): -27.9960 -27.9960 -27.9957 -27.9957 -11.0676 -11.0676 -11.0432 -11.0432 -10.1542 -10.1542 -10.1118 -10.1118 -9.7514 -9.7514 -9.7371 -9.7371 -9.1456 -9.1456 -7.5995 -7.5995 -7.0883 -7.0883 1.4287 1.4287 2.1271 2.1271 2.3549 2.3549 2.5345 2.5345 2.8492 2.8492 3.1538 3.1538 3.3360 3.3360 5.0227 5.0227 5.4318 5.4318 9.4019 9.4019 9.9190 9.9190 10.2574 10.2574 10.5907 10.5907 k = 0.4667-0.9549-0.5710 ( 5217 PWs) bands (ev): -27.9958 -27.9958 -27.9955 -27.9955 -11.0674 -11.0674 -11.0470 -11.0470 -10.1533 -10.1533 -10.1145 -10.1145 -9.7495 -9.7495 -9.7378 -9.7378 -9.1481 -9.1481 -7.5975 -7.5975 -7.0857 -7.0857 1.4206 1.4206 2.1374 2.1374 2.3604 2.3604 2.5179 2.5179 2.8469 2.8469 3.1552 3.1552 3.3359 3.3359 5.0243 5.0243 5.4360 5.4360 9.4000 9.4000 9.9405 9.9405 10.2500 10.2500 10.5888 10.5888 k = 0.4778-0.9776-0.5846 ( 5216 PWs) bands (ev): -27.9956 -27.9956 -27.9954 -27.9954 -11.0670 -11.0670 -11.0500 -11.0500 -10.1525 -10.1525 -10.1166 -10.1166 -9.7480 -9.7480 -9.7383 -9.7383 -9.1500 -9.1500 -7.5960 -7.5960 -7.0838 -7.0838 1.4147 1.4147 2.1453 2.1453 2.3650 2.3650 2.5049 2.5049 2.8453 2.8453 3.1563 3.1563 3.3359 3.3359 5.0255 5.0255 5.4390 5.4390 9.3986 9.3986 9.9586 9.9586 10.2410 10.2410 10.5888 10.5888 k = 0.4889-1.0004-0.5982 ( 5218 PWs) bands (ev): -27.9955 -27.9955 -27.9954 -27.9954 -11.0665 -11.0665 -11.0520 -11.0520 -10.1520 -10.1520 -10.1179 -10.1179 -9.7471 -9.7471 -9.7388 -9.7388 -9.1511 -9.1511 -7.5952 -7.5952 -7.0827 -7.0827 1.4111 1.4111 2.1502 2.1502 2.3682 2.3682 2.4963 2.4963 2.8443 2.8443 3.1570 3.1570 3.3359 3.3359 5.0262 5.0262 5.4408 5.4408 9.3977 9.3977 9.9709 9.9709 10.2337 10.2337 10.5895 10.5895 k = 0.5000-1.0231-0.6118 ( 5216 PWs) bands (ev): -27.9955 -27.9955 -27.9954 -27.9954 -11.0663 -11.0663 -11.0527 -11.0527 -10.1518 -10.1518 -10.1183 -10.1183 -9.7467 -9.7467 -9.7389 -9.7389 -9.1515 -9.1515 -7.5949 -7.5949 -7.0823 -7.0823 1.4100 1.4100 2.1519 2.1519 2.3693 2.3693 2.4934 2.4934 2.8439 2.8439 3.1572 3.1572 3.3359 3.3359 5.0265 5.0265 5.4414 5.4414 9.3974 9.3974 9.9753 9.9753 10.2308 10.2308 10.5898 10.5898 k = 0.5000-1.0231-0.6118 ( 5216 PWs) bands (ev): -27.9955 -27.9955 -27.9954 -27.9954 -11.0663 -11.0663 -11.0527 -11.0527 -10.1518 -10.1518 -10.1183 -10.1183 -9.7467 -9.7467 -9.7389 -9.7389 -9.1515 -9.1515 -7.5949 -7.5949 -7.0823 -7.0823 1.4100 1.4100 2.1519 2.1519 2.3693 2.3693 2.4934 2.4934 2.8439 2.8439 3.1572 3.1572 3.3359 3.3359 5.0265 5.0265 5.4414 5.4414 9.3974 9.3974 9.9753 9.9753 10.2308 10.2308 10.5898 10.5898 k = 0.5000-1.0086-0.6361 ( 5222 PWs) bands (ev): -27.9955 -27.9955 -27.9953 -27.9953 -11.0677 -11.0677 -11.0511 -11.0511 -10.1525 -10.1525 -10.1176 -10.1176 -9.7477 -9.7477 -9.7391 -9.7391 -9.1509 -9.1509 -7.5947 -7.5947 -7.0822 -7.0822 1.4107 1.4107 2.1521 2.1521 2.3692 2.3692 2.4941 2.4941 2.8415 2.8415 3.1579 3.1579 3.3353 3.3353 5.0267 5.0267 5.4408 5.4408 9.4000 9.4000 9.9782 9.9782 10.2295 10.2295 10.5875 10.5875 k = 0.5000-0.9940-0.6604 ( 5218 PWs) bands (ev): -27.9954 -27.9954 -27.9953 -27.9953 -11.0709 -11.0709 -11.0474 -11.0474 -10.1545 -10.1545 -10.1156 -10.1156 -9.7504 -9.7504 -9.7396 -9.7396 -9.1493 -9.1493 -7.5942 -7.5942 -7.0818 -7.0818 1.4128 1.4128 2.1527 2.1527 2.3690 2.3690 2.4964 2.4964 2.8345 2.8345 3.1598 3.1598 3.3335 3.3335 5.0275 5.0275 5.4392 5.4392 9.4078 9.4078 9.9867 9.9867 10.2253 10.2253 10.5808 10.5808 k = 0.5000-0.9795-0.6847 ( 5212 PWs) bands (ev): -27.9954 -27.9954 -27.9953 -27.9953 -11.0746 -11.0746 -11.0429 -11.0429 -10.1575 -10.1575 -10.1126 -10.1126 -9.7547 -9.7547 -9.7408 -9.7408 -9.1465 -9.1465 -7.5934 -7.5934 -7.0812 -7.0812 1.4163 1.4163 2.1535 2.1535 2.3686 2.3686 2.5001 2.5001 2.8231 2.8231 3.1627 3.1627 3.3304 3.3304 5.0288 5.0288 5.4364 5.4364 9.4206 9.4206 10.0010 10.0010 10.2188 10.2188 10.5697 10.5697 k = 0.5000-0.9649-0.7090 ( 5218 PWs) bands (ev): -27.9953 -27.9953 -27.9952 -27.9952 -11.0784 -11.0784 -11.0380 -11.0380 -10.1611 -10.1611 -10.1089 -10.1089 -9.7603 -9.7603 -9.7427 -9.7427 -9.1428 -9.1428 -7.5922 -7.5922 -7.0804 -7.0804 1.4212 1.4212 2.1547 2.1547 2.3681 2.3681 2.5052 2.5052 2.8078 2.8078 3.1664 3.1664 3.3262 3.3262 5.0307 5.0307 5.4327 5.4327 9.4381 9.4381 10.0210 10.0210 10.2100 10.2100 10.5543 10.5543 k = 0.5000-0.9504-0.7333 ( 5220 PWs) bands (ev): -27.9952 -27.9952 -27.9951 -27.9951 -11.0822 -11.0822 -11.0329 -11.0329 -10.1653 -10.1653 -10.1047 -10.1047 -9.7671 -9.7671 -9.7452 -9.7452 -9.1383 -9.1383 -7.5908 -7.5908 -7.0793 -7.0793 1.4274 1.4274 2.1560 2.1560 2.3675 2.3675 2.5114 2.5114 2.7892 2.7892 3.1706 3.1706 3.3207 3.3207 5.0331 5.0331 5.4280 5.4280 9.4600 9.4600 10.0466 10.0466 10.1997 10.1997 10.5349 10.5349 k = 0.5000-0.9358-0.7577 ( 5218 PWs) bands (ev): -27.9952 -27.9952 -27.9951 -27.9951 -11.0859 -11.0859 -11.0276 -11.0276 -10.1698 -10.1698 -10.1002 -10.1002 -9.7749 -9.7749 -9.7483 -9.7483 -9.1330 -9.1330 -7.5890 -7.5890 -7.0780 -7.0780 1.4350 1.4350 2.1575 2.1575 2.3669 2.3669 2.5186 2.5186 2.7680 2.7680 3.1750 3.1750 3.3141 3.3141 5.0360 5.0360 5.4224 5.4224 9.4859 9.4859 10.0778 10.0778 10.1882 10.1882 10.5117 10.5117 k = 0.5000-0.9213-0.7820 ( 5218 PWs) bands (ev): -27.9950 -27.9950 -27.9950 -27.9950 -11.0894 -11.0894 -11.0221 -11.0221 -10.1747 -10.1747 -10.0954 -10.0954 -9.7836 -9.7836 -9.7519 -9.7519 -9.1272 -9.1272 -7.5870 -7.5870 -7.0765 -7.0765 1.4439 1.4439 2.1589 2.1589 2.3665 2.3665 2.5262 2.5262 2.7451 2.7451 3.1794 3.1794 3.3062 3.3062 5.0395 5.0395 5.4161 5.4161 9.5154 9.5154 10.1143 10.1143 10.1761 10.1761 10.4851 10.4851 k = 0.5000-0.9068-0.8063 ( 5216 PWs) bands (ev): -27.9949 -27.9949 -27.9948 -27.9948 -11.0928 -11.0928 -11.0167 -11.0167 -10.1798 -10.1798 -10.0903 -10.0903 -9.7930 -9.7930 -9.7560 -9.7560 -9.1209 -9.1209 -7.5848 -7.5848 -7.0749 -7.0749 1.4541 1.4541 2.1603 2.1603 2.3662 2.3662 2.5336 2.5336 2.7215 2.7215 3.1835 3.1835 3.2970 3.2970 5.0435 5.0435 5.4090 5.4090 9.5480 9.5480 10.1548 10.1548 10.1651 10.1651 10.4555 10.4555 k = 0.5000-0.8922-0.8306 ( 5218 PWs) bands (ev): -27.9948 -27.9948 -27.9947 -27.9947 -11.0961 -11.0961 -11.0112 -11.0112 -10.1851 -10.1851 -10.0849 -10.0849 -9.8030 -9.8030 -9.7605 -9.7605 -9.1144 -9.1144 -7.5825 -7.5825 -7.0731 -7.0731 1.4655 1.4655 2.1614 2.1614 2.3661 2.3661 2.5394 2.5394 2.6991 2.6991 3.1874 3.1874 3.2868 3.2868 5.0481 5.0481 5.4013 5.4013 9.5834 9.5834 10.1517 10.1517 10.2028 10.2028 10.4233 10.4233 k = 0.5000-0.8777-0.8549 ( 5216 PWs) bands (ev): -27.9947 -27.9947 -27.9946 -27.9946 -11.0991 -11.0991 -11.0057 -11.0057 -10.1906 -10.1906 -10.0794 -10.0794 -9.8133 -9.8133 -9.7652 -9.7652 -9.1078 -9.1078 -7.5799 -7.5799 -7.0711 -7.0711 1.4780 1.4780 2.1621 2.1621 2.3663 2.3663 2.5410 2.5410 2.6807 2.6807 3.1907 3.1907 3.2754 3.2754 5.0533 5.0533 5.3931 5.3931 9.6211 9.6211 10.1410 10.1410 10.2528 10.2528 10.3895 10.3895 k = 0.5000-0.8631-0.8793 ( 5210 PWs) bands (ev): -27.9945 -27.9945 -27.9944 -27.9944 -11.1021 -11.1021 -11.0003 -11.0003 -10.1963 -10.1963 -10.0736 -10.0736 -9.8239 -9.8239 -9.7701 -9.7701 -9.1011 -9.1011 -7.5773 -7.5773 -7.0690 -7.0690 1.4917 1.4917 2.1622 2.1622 2.3668 2.3668 2.5354 2.5354 2.6697 2.6697 3.1935 3.1935 3.2629 3.2629 5.0591 5.0591 5.3844 5.3844 9.6609 9.6609 10.1315 10.1315 10.3032 10.3032 10.3575 10.3575 k = 0.5000-0.8486-0.9036 ( 5208 PWs) bands (ev): -27.9944 -27.9944 -27.9943 -27.9943 -11.1048 -11.1048 -10.9950 -10.9950 -10.2021 -10.2021 -10.0676 -10.0676 -9.8347 -9.8347 -9.7752 -9.7752 -9.0946 -9.0946 -7.5745 -7.5745 -7.0669 -7.0669 1.5064 1.5064 2.1614 2.1614 2.3678 2.3678 2.5210 2.5210 2.6683 2.6683 3.1955 3.1955 3.2497 3.2497 5.0655 5.0655 5.3753 5.3753 9.7023 9.7023 10.1236 10.1236 10.3077 10.3077 10.3731 10.3731 k = 0.5000-0.8341-0.9279 ( 5218 PWs) bands (ev): -27.9942 -27.9942 -27.9941 -27.9941 -11.1075 -11.1075 -10.9899 -10.9899 -10.2080 -10.2080 -10.0614 -10.0614 -9.8456 -9.8456 -9.7802 -9.7802 -9.0883 -9.0883 -7.5718 -7.5718 -7.0647 -7.0647 1.5221 1.5221 2.1597 2.1597 2.3691 2.3691 2.4993 2.4993 2.6752 2.6752 3.1961 3.1961 3.2362 3.2362 5.0726 5.0726 5.3659 5.3659 9.7452 9.7452 10.1176 10.1176 10.2728 10.2728 10.4294 10.4294 k = 0.5000-0.8195-0.9522 ( 5228 PWs) bands (ev): -27.9940 -27.9940 -27.9940 -27.9940 -11.1099 -11.1099 -10.9850 -10.9850 -10.2140 -10.2140 -10.0550 -10.0550 -9.8564 -9.8564 -9.7852 -9.7852 -9.0823 -9.0823 -7.5690 -7.5690 -7.0624 -7.0624 1.5387 1.5387 2.1566 2.1566 2.3708 2.3708 2.4737 2.4737 2.6875 2.6875 3.1938 3.1938 3.2241 3.2241 5.0803 5.0803 5.3563 5.3563 9.7891 9.7891 10.1136 10.1136 10.2356 10.2356 10.4891 10.4891 k = 0.5000-0.8050-0.9765 ( 5226 PWs) bands (ev): -27.9939 -27.9939 -27.9938 -27.9938 -11.1122 -11.1122 -10.9802 -10.9802 -10.2198 -10.2198 -10.0485 -10.0485 -9.8670 -9.8670 -9.7901 -9.7901 -9.0766 -9.0766 -7.5663 -7.5663 -7.0601 -7.0601 1.5561 1.5561 2.1519 2.1519 2.3727 2.3727 2.4467 2.4467 2.7034 2.7034 3.1857 3.1857 3.2164 3.2164 5.0886 5.0886 5.3463 5.3463 9.8338 9.8338 10.1116 10.1116 10.1988 10.1988 10.5489 10.5489 k = 0.5000-0.7904-1.0008 ( 5228 PWs) bands (ev): -27.9937 -27.9937 -27.9937 -27.9937 -11.1143 -11.1143 -10.9758 -10.9758 -10.2256 -10.2256 -10.0417 -10.0417 -9.8775 -9.8775 -9.7947 -9.7947 -9.0714 -9.0714 -7.5636 -7.5636 -7.0579 -7.0579 1.5741 1.5741 2.1453 2.1453 2.3748 2.3748 2.4202 2.4202 2.7216 2.7216 3.1714 3.1714 3.2135 3.2135 5.0976 5.0976 5.3362 5.3362 9.8784 9.8784 10.1116 10.1116 10.1639 10.1639 10.6073 10.6073 k = 0.5000-0.7759-1.0252 ( 5228 PWs) bands (ev): -27.9936 -27.9936 -27.9935 -27.9935 -11.1163 -11.1163 -10.9717 -10.9717 -10.2312 -10.2312 -10.0348 -10.0348 -9.8879 -9.8879 -9.7990 -9.7990 -9.0667 -9.0667 -7.5611 -7.5611 -7.0557 -7.0557 1.5928 1.5928 2.1362 2.1362 2.3761 2.3761 2.3964 2.3964 2.7413 2.7413 3.1538 3.1538 3.2127 3.2127 5.1073 5.1073 5.3258 5.3258 9.9213 9.9213 10.1127 10.1127 10.1338 10.1338 10.6630 10.6630 k = 0.5000-0.7614-1.0495 ( 5220 PWs) bands (ev): -27.9934 -27.9934 -27.9934 -27.9934 -11.1181 -11.1181 -10.9680 -10.9680 -10.2365 -10.2365 -10.0278 -10.0278 -9.8979 -9.8979 -9.8030 -9.8030 -9.0625 -9.0625 -7.5587 -7.5587 -7.0536 -7.0536 1.6118 1.6118 2.1246 2.1246 2.3686 2.3686 2.3843 2.3843 2.7621 2.7621 3.1343 3.1343 3.2126 3.2126 5.1176 5.1176 5.3153 5.3153 9.9580 9.9580 10.1062 10.1062 10.1219 10.1219 10.7148 10.7148 k = 0.5000-0.7468-1.0738 ( 5220 PWs) bands (ev): -27.9933 -27.9933 -27.9932 -27.9932 -11.1198 -11.1198 -10.9646 -10.9646 -10.2414 -10.2414 -10.0206 -10.0206 -9.9077 -9.9077 -9.8065 -9.8065 -9.0589 -9.0589 -7.5565 -7.5565 -7.0516 -7.0516 1.6310 1.6310 2.1104 2.1104 2.3515 2.3515 2.3851 2.3851 2.7836 2.7836 3.1138 3.1138 3.2126 3.2126 5.1284 5.1284 5.3045 5.3045 9.9775 9.9775 10.1048 10.1048 10.1263 10.1263 10.7618 10.7618 k = 0.5000-0.7323-1.0981 ( 5220 PWs) bands (ev): -27.9931 -27.9931 -27.9931 -27.9931 -11.1212 -11.1212 -10.9617 -10.9617 -10.2459 -10.2459 -10.0133 -10.0133 -9.9172 -9.9172 -9.8096 -9.8096 -9.0558 -9.0558 -7.5546 -7.5546 -7.0498 -7.0498 1.6502 1.6502 2.0938 2.0938 2.3364 2.3364 2.3875 2.3875 2.8056 2.8056 3.0924 3.0924 3.2127 3.2127 5.1399 5.1399 5.2935 5.2935 9.9724 9.9724 10.1284 10.1284 10.1346 10.1346 10.8034 10.8034 k = 0.5000-0.7177-1.1224 ( 5208 PWs) bands (ev): -27.9930 -27.9930 -27.9930 -27.9930 -11.1225 -11.1225 -10.9592 -10.9592 -10.2498 -10.2498 -10.0059 -10.0059 -9.9265 -9.9265 -9.8123 -9.8123 -9.0532 -9.0532 -7.5528 -7.5528 -7.0481 -7.0481 1.6691 1.6691 2.0755 2.0755 2.3244 2.3244 2.3900 2.3900 2.8279 2.8279 3.0705 3.0705 3.2128 3.2128 5.1519 5.1519 5.2823 5.2823 9.9536 9.9536 10.1403 10.1403 10.1721 10.1721 10.8392 10.8392 k = 0.5000-0.7032-1.1467 ( 5214 PWs) bands (ev): -27.9929 -27.9929 -27.9929 -27.9929 -11.1236 -11.1236 -10.9573 -10.9573 -10.2532 -10.2532 -9.9985 -9.9985 -9.9354 -9.9354 -9.8144 -9.8144 -9.0512 -9.0512 -7.5514 -7.5514 -7.0467 -7.0467 1.6871 1.6871 2.0566 2.0566 2.3153 2.3153 2.3925 2.3925 2.8503 2.8503 3.0483 3.0483 3.2128 3.2128 5.1643 5.1643 5.2709 5.2709 9.9312 9.9312 10.1486 10.1486 10.2203 10.2203 10.8693 10.8693 k = 0.5000-0.6887-1.1711 ( 5222 PWs) bands (ev): -27.9928 -27.9928 -27.9928 -27.9928 -11.1244 -11.1244 -10.9557 -10.9557 -10.2558 -10.2558 -9.9911 -9.9911 -9.9439 -9.9439 -9.8160 -9.8160 -9.0498 -9.0498 -7.5502 -7.5502 -7.0455 -7.0455 1.7039 1.7039 2.0381 2.0381 2.3085 2.3085 2.3949 2.3949 2.8725 2.8725 3.0261 3.0261 3.2127 3.2127 5.1771 5.1771 5.2592 5.2592 9.9089 9.9089 10.1566 10.1566 10.2716 10.2716 10.8924 10.8924 k = 0.5000-0.6741-1.1954 ( 5230 PWs) bands (ev): -27.9928 -27.9928 -27.9928 -27.9928 -11.1251 -11.1251 -10.9547 -10.9547 -10.2578 -10.2578 -9.9839 -9.9839 -9.9519 -9.9519 -9.8171 -9.8171 -9.0488 -9.0488 -7.5494 -7.5494 -7.0446 -7.0446 1.7186 1.7186 2.0215 2.0215 2.3034 2.3034 2.3972 2.3972 2.8944 2.8944 3.0041 3.0041 3.2127 3.2127 5.1899 5.1899 5.2474 5.2474 9.8883 9.8883 10.1637 10.1637 10.3245 10.3245 10.8891 10.8891 k = 0.5000-0.6596-1.2197 ( 5222 PWs) bands (ev): -27.9927 -27.9927 -27.9927 -27.9927 -11.1255 -11.1255 -10.9540 -10.9540 -10.2590 -10.2590 -9.9774 -9.9774 -9.9588 -9.9588 -9.8177 -9.8177 -9.0483 -9.0483 -7.5489 -7.5489 -7.0440 -7.0440 1.7306 1.7306 2.0079 2.0079 2.2996 2.2996 2.3995 2.3995 2.9154 2.9154 2.9830 2.9830 3.2127 3.2127 5.2022 5.2022 5.2360 5.2360 9.8699 9.8699 10.1695 10.1695 10.3781 10.3781 10.8807 10.8807 k = 0.5000-0.6450-1.2440 ( 5220 PWs) bands (ev): -27.9927 -27.9927 -27.9927 -27.9927 -11.1257 -11.1257 -10.9538 -10.9538 -10.2595 -10.2595 -9.9744 -9.9744 -9.9620 -9.9620 -9.8178 -9.8178 -9.0482 -9.0482 -7.5488 -7.5488 -7.0437 -7.0437 1.7389 1.7389 1.9987 1.9987 2.2963 2.2963 2.4020 2.4020 2.9333 2.9333 2.9651 2.9651 3.2128 3.2128 5.2100 5.2100 5.2288 5.2288 9.8542 9.8542 10.1733 10.1733 10.4319 10.4319 10.8744 10.8744 k = 0.5000-0.6305-1.2683 ( 5218 PWs) bands (ev): -27.9927 -27.9927 -27.9927 -27.9927 -11.1256 -11.1256 -10.9540 -10.9540 -10.2592 -10.2592 -9.9784 -9.9784 -9.9579 -9.9579 -9.8174 -9.8174 -9.0485 -9.0485 -7.5491 -7.5491 -7.0437 -7.0437 1.7430 1.7430 1.9945 1.9945 2.2931 2.2931 2.4047 2.4047 2.9331 2.9331 2.9656 2.9656 3.2131 3.2131 5.2035 5.2035 5.2355 5.2355 9.8412 9.8412 10.1750 10.1750 10.4853 10.4853 10.8684 10.8684 k = 0.5000-0.6159-1.2927 ( 5220 PWs) bands (ev): -27.9928 -27.9928 -27.9928 -27.9928 -11.1252 -11.1252 -10.9545 -10.9545 -10.2581 -10.2581 -9.9846 -9.9846 -9.9514 -9.9514 -9.8165 -9.8165 -9.0491 -9.0491 -7.5497 -7.5497 -7.0442 -7.0442 1.7429 1.7429 1.9957 1.9957 2.2895 2.2895 2.4080 2.4080 2.9170 2.9170 2.9823 2.9823 3.2136 3.2136 5.1910 5.1910 5.2476 5.2476 9.8309 9.8309 10.1741 10.1741 10.5378 10.5378 10.8594 10.8594 k = 0.8212-0.5417-1.1544 ( 5220 PWs) bands (ev): -27.9928 -27.9928 -27.9928 -27.9928 -11.1252 -11.1252 -10.9545 -10.9545 -10.2581 -10.2581 -9.9846 -9.9846 -9.9514 -9.9514 -9.8165 -9.8165 -9.0491 -9.0491 -7.5497 -7.5497 -7.0442 -7.0442 1.7429 1.7429 1.9957 1.9957 2.2895 2.2895 2.4080 2.4080 2.9170 2.9170 2.9823 2.9823 3.2136 3.2136 5.1910 5.1910 5.2476 5.2476 9.8309 9.8309 10.1741 10.1741 10.5378 10.5378 10.8594 10.8594 k = 0.8148-0.5285-1.1299 ( 5208 PWs) bands (ev): -27.9928 -27.9928 -27.9928 -27.9928 -11.1245 -11.1245 -10.9553 -10.9553 -10.2563 -10.2563 -9.9910 -9.9910 -9.9444 -9.9444 -9.8151 -9.8151 -9.0500 -9.0500 -7.5508 -7.5508 -7.0450 -7.0450 1.7392 1.7392 2.0016 2.0016 2.2851 2.2851 2.4120 2.4120 2.9000 2.9000 3.0005 3.0005 3.2144 3.2144 5.1771 5.1771 5.2604 5.2604 9.8234 9.8234 10.1706 10.1706 10.5890 10.5890 10.8442 10.8442 k = 0.8084-0.5154-1.1054 ( 5214 PWs) bands (ev): -27.9929 -27.9929 -27.9929 -27.9929 -11.1236 -11.1236 -10.9563 -10.9563 -10.2538 -10.2538 -9.9973 -9.9973 -9.9374 -9.9374 -9.8133 -9.8133 -9.0512 -9.0512 -7.5523 -7.5523 -7.0463 -7.0463 1.7330 1.7330 2.0111 2.0111 2.2797 2.2797 2.4169 2.4169 2.8844 2.8844 3.0181 3.0181 3.2156 3.2156 5.1625 5.1625 5.2731 5.2731 9.8186 9.8186 10.1644 10.1644 10.6377 10.6377 10.8210 10.8210 k = 0.8020-0.5022-1.0809 ( 5212 PWs) bands (ev): -27.9931 -27.9931 -27.9930 -27.9930 -11.1223 -11.1223 -10.9575 -10.9575 -10.2507 -10.2507 -10.0032 -10.0032 -9.9306 -9.9306 -9.8110 -9.8110 -9.0525 -9.0525 -7.5542 -7.5542 -7.0481 -7.0481 1.7254 1.7254 2.0228 2.0228 2.2730 2.2730 2.4230 2.4230 2.8708 2.8708 3.0344 3.0344 3.2173 3.2173 5.1473 5.1473 5.2853 5.2853 9.8163 9.8163 10.1554 10.1554 10.6824 10.6824 10.7919 10.7919 k = 0.7955-0.4891-1.0565 ( 5208 PWs) bands (ev): -27.9932 -27.9932 -27.9932 -27.9932 -11.1207 -11.1207 -10.9588 -10.9588 -10.2470 -10.2470 -10.0087 -10.0087 -9.9239 -9.9239 -9.8083 -9.8083 -9.0539 -9.0539 -7.5565 -7.5565 -7.0503 -7.0503 1.7175 1.7175 2.0356 2.0356 2.2652 2.2652 2.4302 2.4302 2.8596 2.8596 3.0494 3.0494 3.2196 3.2196 5.1317 5.1317 5.2968 5.2968 9.8163 9.8163 10.1435 10.1435 10.7183 10.7183 10.7630 10.7630 k = 0.7891-0.4759-1.0320 ( 5206 PWs) bands (ev): -27.9934 -27.9934 -27.9934 -27.9934 -11.1188 -11.1188 -10.9600 -10.9600 -10.2428 -10.2428 -10.0139 -10.0139 -9.9175 -9.9175 -9.8051 -9.8051 -9.0554 -9.0554 -7.5593 -7.5593 -7.0530 -7.0530 1.7101 1.7101 2.0481 2.0481 2.2563 2.2563 2.4387 2.4387 2.8511 2.8511 3.0627 3.0627 3.2227 3.2227 5.1157 5.1157 5.3076 5.3076 9.8184 9.8184 10.1286 10.1286 10.7141 10.7141 10.7669 10.7669 k = 0.7827-0.4628-1.0075 ( 5200 PWs) bands (ev): -27.9937 -27.9937 -27.9936 -27.9936 -11.1166 -11.1166 -10.9613 -10.9613 -10.2381 -10.2381 -10.0187 -10.0187 -9.9113 -9.9113 -9.8016 -9.8016 -9.0569 -9.0569 -7.5625 -7.5625 -7.0562 -7.0562 1.7038 1.7038 2.0592 2.0592 2.2469 2.2469 2.4487 2.4487 2.8454 2.8454 3.0742 3.0742 3.2267 3.2267 5.0994 5.0994 5.3174 5.3174 9.8223 9.8223 10.1106 10.1106 10.6835 10.6835 10.7904 10.7904 k = 0.7763-0.4496-0.9831 ( 5200 PWs) bands (ev): -27.9939 -27.9939 -27.9939 -27.9939 -11.1140 -11.1140 -10.9625 -10.9625 -10.2331 -10.2331 -10.0230 -10.0230 -9.9054 -9.9054 -9.7978 -9.7978 -9.0583 -9.0583 -7.5662 -7.5662 -7.0599 -7.0599 1.6989 1.6989 2.0678 2.0678 2.2375 2.2375 2.4601 2.4601 2.8428 2.8428 3.0839 3.0839 3.2314 3.2314 5.0829 5.0829 5.3260 5.3260 9.8276 9.8276 10.0894 10.0894 10.6526 10.6526 10.8084 10.8084 k = 0.7698-0.4365-0.9586 ( 5200 PWs) bands (ev): -27.9943 -27.9943 -27.9942 -27.9942 -11.1111 -11.1111 -10.9635 -10.9635 -10.2277 -10.2277 -10.0270 -10.0270 -9.8996 -9.8996 -9.7937 -9.7937 -9.0596 -9.0596 -7.5703 -7.5703 -7.0641 -7.0641 1.6958 1.6958 2.0727 2.0727 2.2290 2.2290 2.4731 2.4731 2.8433 2.8433 3.0916 3.0916 3.2370 3.2370 5.0663 5.0663 5.3335 5.3335 9.8340 9.8340 10.0649 10.0649 10.6240 10.6240 10.8196 10.8196 k = 0.7634-0.4233-0.9341 ( 5204 PWs) bands (ev): -27.9946 -27.9946 -27.9945 -27.9945 -11.1079 -11.1079 -10.9643 -10.9643 -10.2222 -10.2222 -10.0305 -10.0305 -9.8941 -9.8941 -9.7893 -9.7893 -9.0608 -9.0608 -7.5748 -7.5748 -7.0689 -7.0689 1.6947 1.6947 2.0730 2.0730 2.2221 2.2221 2.4878 2.4878 2.8468 2.8468 3.0975 3.0975 3.2433 3.2433 5.0496 5.0496 5.3397 5.3397 9.8412 9.8412 10.0371 10.0371 10.5982 10.5982 10.8253 10.8253 k = 0.7570-0.4102-0.9097 ( 5206 PWs) bands (ev): -27.9950 -27.9950 -27.9949 -27.9949 -11.1043 -11.1043 -10.9648 -10.9648 -10.2164 -10.2164 -10.0335 -10.0335 -9.8888 -9.8888 -9.7847 -9.7847 -9.0618 -9.0618 -7.5798 -7.5798 -7.0742 -7.0742 1.6956 1.6956 2.0681 2.0681 2.2174 2.2174 2.5041 2.5041 2.8532 2.8532 3.1017 3.1017 3.2501 3.2501 5.0330 5.0330 5.3445 5.3445 9.8488 9.8488 10.0062 10.0062 10.5755 10.5755 10.8270 10.8270 k = 0.7506-0.3970-0.8852 ( 5206 PWs) bands (ev): -27.9954 -27.9954 -27.9953 -27.9953 -11.1005 -11.1005 -10.9651 -10.9651 -10.2106 -10.2106 -10.0361 -10.0361 -9.8837 -9.8837 -9.7800 -9.7800 -9.0626 -9.0626 -7.5852 -7.5852 -7.0800 -7.0800 1.6985 1.6985 2.0584 2.0584 2.2148 2.2148 2.5220 2.5220 2.8623 2.8623 3.1045 3.1045 3.2572 3.2572 5.0165 5.0165 5.3479 5.3479 9.8565 9.8565 9.9725 9.9725 10.5554 10.5554 10.8257 10.8257 k = 0.7441-0.3839-0.8607 ( 5202 PWs) bands (ev): -27.9959 -27.9959 -27.9958 -27.9958 -11.0963 -11.0963 -10.9651 -10.9651 -10.2047 -10.2047 -10.0381 -10.0381 -9.8787 -9.8787 -9.7751 -9.7751 -9.0632 -9.0632 -7.5911 -7.5911 -7.0864 -7.0864 1.7036 1.7036 2.0445 2.0445 2.2139 2.2139 2.5415 2.5415 2.8740 2.8740 3.1059 3.1059 3.2644 3.2644 5.0003 5.0003 5.3499 5.3499 9.8639 9.8639 9.9362 9.9362 10.5376 10.5376 10.8222 10.8222 k = 0.7377-0.3708-0.8362 ( 5206 PWs) bands (ev): -27.9963 -27.9963 -27.9963 -27.9963 -11.0919 -11.0919 -10.9647 -10.9647 -10.1988 -10.1988 -10.0397 -10.0397 -9.8737 -9.8737 -9.7702 -9.7702 -9.0636 -9.0636 -7.5974 -7.5974 -7.0933 -7.0933 1.7105 1.7105 2.0278 2.0278 2.2140 2.2140 2.5623 2.5623 2.8879 2.8879 3.1063 3.1063 3.2714 3.2714 4.9844 4.9844 5.3503 5.3503 9.8704 9.8704 9.8981 9.8981 10.5215 10.5215 10.8170 10.8170 k = 0.7313-0.3576-0.8118 ( 5202 PWs) bands (ev): -27.9969 -27.9969 -27.9968 -27.9968 -11.0873 -11.0873 -10.9640 -10.9640 -10.1930 -10.1930 -10.0407 -10.0407 -9.8688 -9.8688 -9.7652 -9.7652 -9.0637 -9.0637 -7.6042 -7.6042 -7.1006 -7.1006 1.7190 1.7190 2.0092 2.0092 2.2147 2.2147 2.5844 2.5844 2.9039 2.9039 3.1058 3.1058 3.2781 3.2781 4.9691 4.9691 5.3493 5.3493 9.8555 9.8555 9.8789 9.8789 10.5065 10.5065 10.8103 10.8103 k = 0.7249-0.3445-0.7873 ( 5200 PWs) bands (ev): -27.9974 -27.9974 -27.9973 -27.9973 -11.0824 -11.0824 -10.9629 -10.9629 -10.1872 -10.1872 -10.0413 -10.0413 -9.8638 -9.8638 -9.7602 -9.7602 -9.0636 -9.0636 -7.6114 -7.6114 -7.1085 -7.1085 1.7287 1.7287 1.9900 1.9900 2.2158 2.2158 2.6073 2.6073 2.9216 2.9216 3.1044 3.1044 3.2844 3.2844 4.9543 4.9543 5.3469 5.3469 9.8141 9.8141 9.8837 9.8837 10.4920 10.4920 10.8020 10.8020 k = 0.7184-0.3313-0.7628 ( 5190 PWs) bands (ev): -27.9980 -27.9980 -27.9979 -27.9979 -11.0774 -11.0774 -10.9614 -10.9614 -10.1815 -10.1815 -10.0413 -10.0413 -9.8588 -9.8588 -9.7552 -9.7552 -9.0633 -9.0633 -7.6190 -7.6190 -7.1168 -7.1168 1.7389 1.7389 1.9713 1.9713 2.2171 2.2171 2.6310 2.6310 2.9407 2.9407 3.1024 3.1024 3.2900 3.2900 4.9404 4.9404 5.3430 5.3430 9.7708 9.7708 9.8882 9.8882 10.4776 10.4776 10.7921 10.7921 k = 0.7120-0.3182-0.7384 ( 5192 PWs) bands (ev): -27.9986 -27.9986 -27.9985 -27.9985 -11.0722 -11.0722 -10.9596 -10.9596 -10.1759 -10.1759 -10.0408 -10.0408 -9.8537 -9.8537 -9.7502 -9.7502 -9.0629 -9.0629 -7.6271 -7.6271 -7.1256 -7.1256 1.7482 1.7482 1.9547 1.9547 2.2188 2.2188 2.6551 2.6551 2.9610 2.9610 3.0999 3.0999 3.2951 3.2951 4.9272 4.9272 5.3379 5.3379 9.7264 9.7264 9.8919 9.8919 10.4631 10.4631 10.7804 10.7804 k = 0.7056-0.3050-0.7139 ( 5190 PWs) bands (ev): -27.9992 -27.9992 -27.9991 -27.9991 -11.0669 -11.0669 -10.9575 -10.9575 -10.1705 -10.1705 -10.0397 -10.0397 -9.8483 -9.8483 -9.7453 -9.7453 -9.0622 -9.0622 -7.6356 -7.6356 -7.1348 -7.1348 1.7549 1.7549 1.9422 1.9422 2.2209 2.2209 2.6794 2.6794 2.9823 2.9823 3.0970 3.0970 3.2994 3.2994 4.9150 4.9150 5.3314 5.3314 9.6811 9.6811 9.8945 9.8945 10.4481 10.4481 10.7669 10.7669 k = 0.6992-0.2919-0.6894 ( 5194 PWs) bands (ev): -27.9999 -27.9999 -27.9998 -27.9998 -11.0615 -11.0615 -10.9551 -10.9551 -10.1651 -10.1651 -10.0382 -10.0382 -9.8428 -9.8428 -9.7404 -9.7404 -9.0615 -9.0615 -7.6445 -7.6445 -7.1444 -7.1444 1.7565 1.7565 1.9363 1.9363 2.2237 2.2237 2.7037 2.7037 3.0041 3.0041 3.0937 3.0937 3.3029 3.3029 4.9039 4.9039 5.3239 5.3239 9.6351 9.6351 9.8962 9.8962 10.4328 10.4328 10.7513 10.7513 k = 0.6927-0.2787-0.6650 ( 5194 PWs) bands (ev): -28.0006 -28.0006 -28.0005 -28.0005 -11.0560 -11.0560 -10.9525 -10.9525 -10.1597 -10.1597 -10.0363 -10.0363 -9.8370 -9.8370 -9.7356 -9.7356 -9.0607 -9.0607 -7.6538 -7.6538 -7.1544 -7.1544 1.7513 1.7513 1.9388 1.9388 2.2273 2.2273 2.7277 2.7277 3.0260 3.0260 3.0905 3.0905 3.3057 3.3057 4.8940 4.8940 5.3153 5.3153 9.5886 9.5886 9.8969 9.8969 10.4173 10.4173 10.7335 10.7335 k = 0.6863-0.2656-0.6405 ( 5198 PWs) bands (ev): -28.0013 -28.0013 -28.0012 -28.0012 -11.0505 -11.0505 -10.9496 -10.9496 -10.1544 -10.1544 -10.0338 -10.0338 -9.8309 -9.8309 -9.7309 -9.7309 -9.0599 -9.0599 -7.6635 -7.6635 -7.1647 -7.1647 1.7394 1.7394 1.9497 1.9497 2.2320 2.2320 2.7514 2.7514 3.0473 3.0473 3.0879 3.0879 3.3077 3.3077 4.8853 4.8853 5.3057 5.3057 9.5417 9.5417 9.8966 9.8966 10.4019 10.4019 10.7136 10.7136 k = 0.6799-0.2524-0.6160 ( 5190 PWs) bands (ev): -28.0020 -28.0020 -28.0019 -28.0019 -11.0451 -11.0451 -10.9465 -10.9465 -10.1490 -10.1490 -10.0310 -10.0310 -9.8245 -9.8245 -9.7261 -9.7261 -9.0591 -9.0591 -7.6736 -7.6736 -7.1752 -7.1752 1.7221 1.7221 1.9673 1.9673 2.2379 2.2379 2.7744 2.7744 3.0647 3.0647 3.0891 3.0891 3.3090 3.3090 4.8779 4.8779 5.2954 5.2954 9.4944 9.4944 9.8952 9.8952 10.3869 10.3869 10.6916 10.6916 k = 0.6735-0.2393-0.5915 ( 5198 PWs) bands (ev): -28.0028 -28.0028 -28.0026 -28.0026 -11.0396 -11.0396 -10.9434 -10.9434 -10.1435 -10.1435 -10.0278 -10.0278 -9.8178 -9.8178 -9.7214 -9.7214 -9.0585 -9.0585 -7.6841 -7.6841 -7.1861 -7.1861 1.7013 1.7013 1.9898 1.9898 2.2453 2.2453 2.7966 2.7966 3.0701 3.0701 3.1019 3.1019 3.3095 3.3095 4.8720 4.8720 5.2843 5.2843 9.4470 9.4470 9.8928 9.8928 10.3728 10.3728 10.6677 10.6677 k = 0.6670-0.2262-0.5671 ( 5208 PWs) bands (ev): -28.0035 -28.0035 -28.0034 -28.0034 -11.0343 -11.0343 -10.9402 -10.9402 -10.1380 -10.1380 -10.0242 -10.0242 -9.8107 -9.8107 -9.7166 -9.7166 -9.0580 -9.0580 -7.6949 -7.6949 -7.1971 -7.1971 1.6783 1.6783 2.0155 2.0155 2.2546 2.2546 2.8178 2.8178 3.0684 3.0684 3.1216 3.1216 3.3094 3.3094 4.8675 4.8675 5.2728 5.2728 9.3995 9.3995 9.8890 9.8890 10.3600 10.3600 10.6420 10.6420 k = 0.6606-0.2130-0.5426 ( 5202 PWs) bands (ev): -28.0043 -28.0043 -28.0041 -28.0041 -11.0290 -11.0290 -10.9369 -10.9369 -10.1323 -10.1323 -10.0203 -10.0203 -9.8032 -9.8032 -9.7118 -9.7118 -9.0578 -9.0578 -7.7061 -7.7061 -7.2083 -7.2083 1.6540 1.6540 2.0431 2.0431 2.2659 2.2659 2.8377 2.8377 3.0654 3.0654 3.1422 3.1422 3.3086 3.3086 4.8645 4.8645 5.2608 5.2608 9.3521 9.3521 9.8837 9.8837 10.3489 10.3489 10.6151 10.6151 k = 0.6542-0.1999-0.5181 ( 5206 PWs) bands (ev): -28.0050 -28.0050 -28.0049 -28.0049 -11.0238 -11.0238 -10.9338 -10.9338 -10.1264 -10.1264 -10.0161 -10.0161 -9.7953 -9.7953 -9.7070 -9.7070 -9.0579 -9.0579 -7.7176 -7.7176 -7.2197 -7.2197 1.6290 1.6290 2.0718 2.0718 2.2795 2.2795 2.8562 2.8562 3.0626 3.0626 3.1624 3.1624 3.3072 3.3072 4.8631 4.8631 5.2485 5.2485 9.3049 9.3049 9.8765 9.8765 10.3400 10.3400 10.5874 10.5874 k = 0.6478-0.1867-0.4937 ( 5200 PWs) bands (ev): -28.0058 -28.0058 -28.0056 -28.0056 -11.0188 -11.0188 -10.9307 -10.9307 -10.1204 -10.1204 -10.0116 -10.0116 -9.7870 -9.7870 -9.7020 -9.7020 -9.0583 -9.0583 -7.7293 -7.7293 -7.2311 -7.2311 1.6038 1.6038 2.1008 2.1008 2.2959 2.2959 2.8728 2.8728 3.0605 3.0605 3.1817 3.1817 3.3054 3.3054 4.8632 4.8632 5.2361 5.2361 9.2581 9.2581 9.8668 9.8668 10.3336 10.3336 10.5597 10.5597 k = 0.6413-0.1736-0.4692 ( 5208 PWs) bands (ev): -28.0066 -28.0066 -28.0064 -28.0064 -11.0139 -11.0139 -10.9277 -10.9277 -10.1143 -10.1143 -10.0068 -10.0068 -9.7784 -9.7784 -9.6969 -9.6969 -9.0592 -9.0592 -7.7413 -7.7413 -7.2425 -7.2425 1.5785 1.5785 2.1292 2.1292 2.3152 2.3152 2.8874 2.8874 3.0596 3.0596 3.1998 3.1998 3.3030 3.3030 4.8649 4.8649 5.2236 5.2236 9.2119 9.2119 9.8541 9.8541 10.3299 10.3299 10.5325 10.5325 k = 0.6349-0.1604-0.4447 ( 5208 PWs) bands (ev): -28.0073 -28.0073 -28.0072 -28.0072 -11.0092 -11.0092 -10.9249 -10.9249 -10.1081 -10.1081 -10.0017 -10.0017 -9.7695 -9.7695 -9.6916 -9.6916 -9.0606 -9.0606 -7.7534 -7.7534 -7.2539 -7.2539 1.5534 1.5534 2.1567 2.1567 2.3376 2.3376 2.8995 2.8995 3.0603 3.0603 3.2165 3.2165 3.3004 3.3004 4.8681 4.8681 5.2113 5.2113 9.1664 9.1664 9.8378 9.8378 10.3291 10.3291 10.5069 10.5069 k = 0.6285-0.1473-0.4203 ( 5210 PWs) bands (ev): -28.0081 -28.0081 -28.0079 -28.0079 -11.0046 -11.0046 -10.9224 -10.9224 -10.1018 -10.1018 -9.9963 -9.9963 -9.7601 -9.7601 -9.6862 -9.6862 -9.0625 -9.0625 -7.7657 -7.7657 -7.2652 -7.2652 1.5287 1.5287 2.1828 2.1828 2.3630 2.3630 2.9090 2.9090 3.0630 3.0630 3.2316 3.2316 3.2975 3.2975 4.8728 4.8728 5.1991 5.1991 9.1218 9.1218 9.8171 9.8171 10.3315 10.3315 10.4835 10.4835 k = 0.6221-0.1341-0.3958 ( 5208 PWs) bands (ev): -28.0088 -28.0088 -28.0087 -28.0087 -11.0003 -11.0003 -10.9200 -10.9200 -10.0956 -10.0956 -9.9906 -9.9906 -9.7505 -9.7505 -9.6805 -9.6805 -9.0650 -9.0650 -7.7782 -7.7782 -7.2763 -7.2763 1.5045 1.5045 2.2075 2.2075 2.3910 2.3910 2.9159 2.9159 3.0677 3.0677 3.2447 3.2447 3.2945 3.2945 4.8790 4.8790 5.1872 5.1872 9.0784 9.0784 9.7917 9.7917 10.3372 10.3372 10.4632 10.4632 k = 0.6156-0.1210-0.3713 ( 5200 PWs) bands (ev): -28.0095 -28.0095 -28.0094 -28.0094 -10.9962 -10.9962 -10.9179 -10.9179 -10.0895 -10.0895 -9.9845 -9.9845 -9.7406 -9.7406 -9.6745 -9.6745 -9.0681 -9.0681 -7.7906 -7.7906 -7.2873 -7.2873 1.4809 1.4809 2.2310 2.2310 2.4209 2.4209 2.9204 2.9204 3.0745 3.0745 3.2556 3.2556 3.2918 3.2918 4.8866 4.8866 5.1756 5.1756 9.0362 9.0362 9.7611 9.7611 10.3461 10.3461 10.4464 10.4464 k = 0.6092-0.1078-0.3468 ( 5198 PWs) bands (ev): -28.0102 -28.0102 -28.0101 -28.0101 -10.9923 -10.9923 -10.9160 -10.9160 -10.0836 -10.0836 -9.9782 -9.9782 -9.7304 -9.7304 -9.6683 -9.6683 -9.0718 -9.0718 -7.8030 -7.8030 -7.2981 -7.2981 1.4580 1.4580 2.2536 2.2536 2.4520 2.4520 2.9229 2.9229 3.0831 3.0831 3.2637 3.2637 3.2898 3.2898 4.8954 4.8954 5.1645 5.1645 8.9955 8.9955 9.7253 9.7253 10.3583 10.3583 10.4334 10.4334 k = 0.6028-0.0947-0.3224 ( 5200 PWs) bands (ev): -28.0109 -28.0109 -28.0108 -28.0108 -10.9887 -10.9887 -10.9144 -10.9144 -10.0779 -10.0779 -9.9717 -9.9717 -9.7199 -9.7199 -9.6618 -9.6618 -9.0762 -9.0762 -7.8153 -7.8153 -7.3085 -7.3085 1.4360 1.4360 2.2755 2.2755 2.4836 2.4836 2.9242 2.9242 3.0930 3.0930 3.2682 3.2682 3.2894 3.2894 4.9055 4.9055 5.1540 5.1540 8.9564 8.9564 9.6846 9.6846 10.3736 10.3736 10.4240 10.4240 k = 0.5964-0.0815-0.2979 ( 5196 PWs) bands (ev): -28.0116 -28.0116 -28.0114 -28.0114 -10.9853 -10.9853 -10.9130 -10.9130 -10.0725 -10.0725 -9.9650 -9.9650 -9.7092 -9.7092 -9.6551 -9.6551 -9.0812 -9.0812 -7.8275 -7.8275 -7.3186 -7.3186 1.4148 1.4148 2.2968 2.2968 2.5147 2.5147 2.9250 2.9250 3.1039 3.1039 3.2689 3.2689 3.2908 3.2908 4.9166 4.9166 5.1440 5.1440 8.9191 8.9191 9.6397 9.6397 10.3919 10.3919 10.4182 10.4182 k = 0.5899-0.0684-0.2734 ( 5204 PWs) bands (ev): -28.0122 -28.0122 -28.0121 -28.0121 -10.9822 -10.9822 -10.9118 -10.9118 -10.0675 -10.0675 -9.9582 -9.9582 -9.6983 -9.6983 -9.6481 -9.6481 -9.0869 -9.0869 -7.8394 -7.8394 -7.3284 -7.3284 1.3946 1.3946 2.3178 2.3178 2.5446 2.5446 2.9257 2.9257 3.1154 3.1154 3.2673 3.2673 3.2927 3.2927 4.9286 4.9286 5.1346 5.1346 8.8837 8.8837 9.5914 9.5914 10.4092 10.4092 10.4189 10.4189 k = 0.5835-0.0553-0.2490 ( 5204 PWs) bands (ev): -28.0128 -28.0128 -28.0127 -28.0127 -10.9793 -10.9793 -10.9109 -10.9109 -10.0628 -10.0628 -9.9514 -9.9514 -9.6872 -9.6872 -9.6410 -9.6410 -9.0931 -9.0931 -7.8510 -7.8510 -7.3377 -7.3377 1.3755 1.3755 2.3385 2.3385 2.5727 2.5727 2.9271 2.9271 3.1271 3.1271 3.2646 3.2646 3.2938 3.2938 4.9413 4.9413 5.1259 5.1259 8.8504 8.8504 9.5406 9.5406 10.4109 10.4109 10.4397 10.4397 k = 0.5771-0.0421-0.2245 ( 5214 PWs) bands (ev): -28.0134 -28.0134 -28.0133 -28.0133 -10.9767 -10.9767 -10.9101 -10.9101 -10.0586 -10.0586 -9.9446 -9.9446 -9.6760 -9.6760 -9.6339 -9.6339 -9.0999 -9.0999 -7.8622 -7.8622 -7.3465 -7.3465 1.3576 1.3576 2.3589 2.3589 2.5982 2.5982 2.9296 2.9296 3.1390 3.1390 3.2616 3.2616 3.2935 3.2935 4.9545 4.9545 5.1178 5.1178 8.8192 8.8192 9.4883 9.4883 10.4104 10.4104 10.4662 10.4662 k = 0.5707-0.0290-0.2000 ( 5208 PWs) bands (ev): -28.0140 -28.0140 -28.0138 -28.0138 -10.9743 -10.9743 -10.9095 -10.9095 -10.0548 -10.0548 -9.9381 -9.9381 -9.6647 -9.6647 -9.6267 -9.6267 -9.1071 -9.1071 -7.8730 -7.8730 -7.3548 -7.3548 1.3408 1.3408 2.3789 2.3789 2.6206 2.6206 2.9336 2.9336 3.1507 3.1507 3.2586 3.2586 3.2917 3.2917 4.9680 4.9680 5.1106 5.1106 8.7903 8.7903 9.4356 9.4356 10.4099 10.4099 10.4951 10.4951 k = 0.5642-0.0158-0.1756 ( 5208 PWs) bands (ev): -28.0145 -28.0145 -28.0143 -28.0143 -10.9722 -10.9722 -10.9090 -10.9090 -10.0513 -10.0513 -9.9318 -9.9318 -9.6534 -9.6534 -9.6197 -9.6197 -9.1147 -9.1147 -7.8831 -7.8831 -7.3625 -7.3625 1.3253 1.3253 2.3984 2.3984 2.6397 2.6397 2.9393 2.9393 3.1620 3.1620 3.2557 3.2557 3.2885 3.2885 4.9815 4.9815 5.1040 5.1040 8.7638 8.7638 9.3835 9.3835 10.4087 10.4087 10.5257 10.5257 k = 0.5578-0.0027-0.1511 ( 5210 PWs) bands (ev): -28.0149 -28.0149 -28.0148 -28.0148 -10.9704 -10.9704 -10.9087 -10.9087 -10.0483 -10.0483 -9.9260 -9.9260 -9.6421 -9.6421 -9.6129 -9.6129 -9.1225 -9.1225 -7.8926 -7.8926 -7.3696 -7.3696 1.3110 1.3110 2.4171 2.4171 2.6553 2.6553 2.9467 2.9467 3.1727 3.1727 3.2531 3.2531 3.2841 3.2841 4.9947 4.9947 5.0983 5.0983 8.7396 8.7396 9.3330 9.3330 10.4065 10.4065 10.5574 10.5574 k = 0.5514 0.0105-0.1266 ( 5212 PWs) bands (ev): -28.0153 -28.0153 -28.0152 -28.0152 -10.9687 -10.9687 -10.9084 -10.9084 -10.0456 -10.0456 -9.9206 -9.9206 -9.6311 -9.6311 -9.6064 -9.6064 -9.1304 -9.1304 -7.9014 -7.9014 -7.3760 -7.3760 1.2982 1.2982 2.4349 2.4349 2.6674 2.6674 2.9557 2.9557 3.1826 3.1826 3.2508 3.2508 3.2788 3.2788 5.0073 5.0073 5.0935 5.0935 8.7179 8.7179 9.2850 9.2850 10.4030 10.4030 10.5896 10.5896 k = 0.5450 0.0236-0.1021 ( 5214 PWs) bands (ev): -28.0157 -28.0157 -28.0156 -28.0156 -10.9673 -10.9673 -10.9082 -10.9082 -10.0433 -10.0433 -9.9157 -9.9157 -9.6205 -9.6205 -9.6004 -9.6004 -9.1382 -9.1382 -7.9094 -7.9094 -7.3818 -7.3818 1.2867 1.2867 2.4516 2.4516 2.6765 2.6765 2.9659 2.9659 3.1913 3.1913 3.2487 3.2487 3.2731 3.2731 5.0188 5.0188 5.0897 5.0897 8.6987 8.6987 9.2404 9.2404 10.3983 10.3983 10.6214 10.6214 k = 0.5385 0.0368-0.0777 ( 5224 PWs) bands (ev): -28.0161 -28.0161 -28.0159 -28.0159 -10.9662 -10.9662 -10.9081 -10.9081 -10.0414 -10.0414 -9.9115 -9.9115 -9.6106 -9.6106 -9.5949 -9.5949 -9.1457 -9.1457 -7.9165 -7.9165 -7.3869 -7.3869 1.2767 1.2767 2.4669 2.4669 2.6830 2.6830 2.9767 2.9767 3.1986 3.1986 3.2463 3.2463 3.2679 3.2679 5.0290 5.0290 5.0870 5.0870 8.6821 8.6821 9.2000 9.2000 10.3927 10.3927 10.6520 10.6520 k = 0.5321 0.0499-0.0532 ( 5228 PWs) bands (ev): -28.0163 -28.0163 -28.0162 -28.0162 -10.9652 -10.9652 -10.9080 -10.9080 -10.0397 -10.0397 -9.9078 -9.9078 -9.6015 -9.6015 -9.5901 -9.5901 -9.1527 -9.1527 -7.9226 -7.9226 -7.3912 -7.3912 1.2681 1.2681 2.4805 2.4805 2.6875 2.6875 2.9874 2.9874 3.2042 3.2042 3.2431 3.2431 3.2644 3.2644 5.0374 5.0374 5.0855 5.0855 8.6679 8.6679 9.1644 9.1644 10.3866 10.3866 10.6802 10.6802 k = 0.5257 0.0631-0.0287 ( 5228 PWs) bands (ev): -28.0166 -28.0166 -28.0164 -28.0164 -10.9644 -10.9644 -10.9079 -10.9079 -10.0384 -10.0384 -9.9048 -9.9048 -9.5935 -9.5935 -9.5860 -9.5860 -9.1589 -9.1589 -7.9277 -7.9277 -7.3948 -7.3948 1.2611 1.2611 2.4921 2.4921 2.6903 2.6903 2.9975 2.9975 3.2080 3.2080 3.2387 3.2387 3.2630 3.2630 5.0436 5.0436 5.0853 5.0853 8.6564 8.6564 9.1345 9.1345 10.3806 10.3806 10.7049 10.7049 k = 0.5193 0.0762-0.0043 ( 5228 PWs) bands (ev): -28.0168 -28.0168 -28.0166 -28.0166 -10.9638 -10.9638 -10.9079 -10.9079 -10.0374 -10.0374 -9.9025 -9.9025 -9.5870 -9.5870 -9.5827 -9.5827 -9.1640 -9.1640 -7.9317 -7.9317 -7.3976 -7.3976 1.2556 1.2556 2.5014 2.5014 2.6920 2.6920 3.0064 3.0064 3.2102 3.2102 3.2341 3.2341 3.2633 3.2633 5.0477 5.0477 5.0861 5.0861 8.6474 8.6474 9.1105 9.1105 10.3753 10.3753 10.7248 10.7248 k = 0.5128 0.0894 0.0202 ( 5234 PWs) bands (ev): -28.0169 -28.0169 -28.0167 -28.0167 -10.9634 -10.9634 -10.9078 -10.9078 -10.0367 -10.0367 -9.9008 -9.9008 -9.5821 -9.5821 -9.5804 -9.5804 -9.1678 -9.1678 -7.9346 -7.9346 -7.3996 -7.3996 1.2517 1.2517 2.5083 2.5083 2.6930 2.6930 3.0133 3.0133 3.2111 3.2111 3.2302 3.2302 3.2643 3.2643 5.0500 5.0500 5.0875 5.0875 8.6409 8.6409 9.0931 9.0931 10.3712 10.3712 10.7385 10.7385 k = 0.5064 0.1025 0.0447 ( 5236 PWs) bands (ev): -28.0170 -28.0170 -28.0168 -28.0168 -10.9632 -10.9632 -10.9078 -10.9078 -10.0363 -10.0363 -9.8998 -9.8998 -9.5791 -9.5791 -9.5789 -9.5789 -9.1702 -9.1702 -7.9364 -7.9364 -7.4008 -7.4008 1.2493 1.2493 2.5126 2.5126 2.6935 2.6935 3.0177 3.0177 3.2112 3.2112 3.2277 3.2277 3.2652 3.2652 5.0511 5.0511 5.0886 5.0886 8.6371 8.6371 9.0826 9.0826 10.3686 10.3686 10.7451 10.7451 k = 0.5000 0.1156 0.0691 ( 5246 PWs) bands (ev): -28.0170 -28.0170 -28.0168 -28.0168 -10.9631 -10.9631 -10.9078 -10.9078 -10.0361 -10.0361 -9.8995 -9.8995 -9.5784 -9.5784 -9.5781 -9.5781 -9.1711 -9.1711 -7.9369 -7.9369 -7.4012 -7.4012 1.2485 1.2485 2.5140 2.5140 2.6936 2.6936 3.0192 3.0192 3.2111 3.2111 3.2269 3.2269 3.2655 3.2655 5.0515 5.0515 5.0891 5.0891 8.6358 8.6358 9.0790 9.0790 10.3677 10.3677 10.7467 10.7467 k = 0.5000 0.1156 0.0691 ( 5246 PWs) bands (ev): -28.0170 -28.0170 -28.0168 -28.0168 -10.9631 -10.9631 -10.9078 -10.9078 -10.0361 -10.0361 -9.8995 -9.8995 -9.5784 -9.5784 -9.5781 -9.5781 -9.1711 -9.1711 -7.9369 -7.9369 -7.4012 -7.4012 1.2485 1.2485 2.5140 2.5140 2.6936 2.6936 3.0192 3.0192 3.2111 3.2111 3.2269 3.2269 3.2655 3.2655 5.0515 5.0515 5.0891 5.0891 8.6358 8.6358 9.0790 9.0790 10.3677 10.3677 10.7467 10.7467 k = 0.4722 0.1092 0.0653 ( 5246 PWs) bands (ev): -28.0170 -28.0170 -28.0168 -28.0168 -10.9636 -10.9636 -10.9073 -10.9073 -10.0364 -10.0364 -9.8989 -9.8989 -9.5784 -9.5784 -9.5781 -9.5781 -9.1716 -9.1716 -7.9364 -7.9364 -7.4015 -7.4015 1.2498 1.2498 2.4992 2.4992 2.7061 2.7061 3.0185 3.0185 3.2139 3.2139 3.2151 3.2151 3.2780 3.2780 5.0506 5.0506 5.0881 5.0881 8.6224 8.6224 9.0913 9.0913 10.3721 10.3721 10.7485 10.7485 k = 0.4444 0.1028 0.0615 ( 5243 PWs) bands (ev): -28.0171 -28.0171 -28.0167 -28.0167 -10.9651 -10.9651 -10.9058 -10.9058 -10.0371 -10.0371 -9.8972 -9.8972 -9.5784 -9.5784 -9.5781 -9.5781 -9.1732 -9.1732 -7.9350 -7.9350 -7.4023 -7.4023 1.2537 1.2537 2.4633 2.4633 2.7350 2.7350 3.0172 3.0172 3.1944 3.1944 3.2220 3.2220 3.3006 3.3006 5.0482 5.0482 5.0853 5.0853 8.5864 8.5864 9.1240 9.1240 10.3853 10.3853 10.7537 10.7537 k = 0.4167 0.0964 0.0576 ( 5249 PWs) bands (ev): -28.0172 -28.0172 -28.0166 -28.0166 -10.9674 -10.9674 -10.9035 -10.9035 -10.0384 -10.0384 -9.8945 -9.8945 -9.5784 -9.5784 -9.5781 -9.5781 -9.1758 -9.1758 -7.9325 -7.9325 -7.4037 -7.4037 1.2601 1.2601 2.4175 2.4175 2.7680 2.7680 3.0167 3.0167 3.1728 3.1728 3.2345 3.2345 3.3255 3.3255 5.0442 5.0442 5.0806 5.0806 8.5359 8.5359 9.1689 9.1689 10.4073 10.4073 10.7623 10.7623 k = 0.3889 0.0899 0.0538 ( 5252 PWs) bands (ev): -28.0173 -28.0173 -28.0165 -28.0165 -10.9703 -10.9703 -10.9006 -10.9006 -10.0399 -10.0399 -9.8909 -9.8909 -9.5784 -9.5784 -9.5781 -9.5781 -9.1793 -9.1793 -7.9292 -7.9292 -7.4055 -7.4055 1.2691 1.2691 2.3671 2.3671 2.7985 2.7985 3.0197 3.0197 3.1517 3.1517 3.2504 3.2504 3.3511 3.3511 5.0388 5.0388 5.0742 5.0742 8.4775 8.4775 9.2192 9.2192 10.4382 10.4382 10.7741 10.7741 k = 0.3611 0.0835 0.0499 ( 5234 PWs) bands (ev): -28.0174 -28.0174 -28.0164 -28.0164 -10.9736 -10.9736 -10.8974 -10.8974 -10.0418 -10.0418 -9.8865 -9.8865 -9.5784 -9.5784 -9.5781 -9.5781 -9.1837 -9.1837 -7.9251 -7.9251 -7.4078 -7.4078 1.2806 1.2806 2.3145 2.3145 2.8220 2.8220 3.0286 3.0286 3.1314 3.1314 3.2687 3.2687 3.3768 3.3768 5.0321 5.0321 5.0663 5.0663 8.4156 8.4156 9.2707 9.2707 10.4779 10.4779 10.7889 10.7889 k = 0.3333 0.0771 0.0461 ( 5228 PWs) bands (ev): -28.0175 -28.0175 -28.0164 -28.0164 -10.9770 -10.9770 -10.8939 -10.8939 -10.0438 -10.0438 -9.8815 -9.8815 -9.5784 -9.5784 -9.5781 -9.5781 -9.1888 -9.1888 -7.9203 -7.9203 -7.4106 -7.4106 1.2946 1.2946 2.2608 2.2608 2.8368 2.8368 3.0449 3.0449 3.1122 3.1122 3.2888 3.2888 3.4025 3.4025 5.0243 5.0243 5.0570 5.0570 8.3530 8.3530 9.3206 9.3206 10.5260 10.5260 10.8062 10.8062 k = 0.3056 0.0707 0.0423 ( 5216 PWs) bands (ev): -28.0175 -28.0175 -28.0163 -28.0163 -10.9805 -10.9805 -10.8904 -10.8904 -10.0460 -10.0460 -9.8760 -9.8760 -9.5784 -9.5784 -9.5781 -9.5781 -9.1944 -9.1944 -7.9150 -7.9150 -7.4136 -7.4136 1.3111 1.3111 2.2067 2.2067 2.8433 2.8433 3.0676 3.0676 3.0943 3.0943 3.3099 3.3099 3.4277 3.4277 5.0156 5.0156 5.0466 5.0466 8.2913 8.2913 9.3674 9.3674 10.5821 10.5821 10.8257 10.8257 k = 0.2778 0.0642 0.0384 ( 5216 PWs) bands (ev): -28.0176 -28.0176 -28.0162 -28.0162 -10.9840 -10.9840 -10.8869 -10.8869 -10.0482 -10.0482 -9.8702 -9.8702 -9.5784 -9.5784 -9.5781 -9.5781 -9.2005 -9.2005 -7.9092 -7.9092 -7.4170 -7.4170 1.3300 1.3300 2.1527 2.1527 2.8438 2.8438 3.0776 3.0776 3.0944 3.0944 3.3314 3.3314 3.4522 3.4522 5.0062 5.0062 5.0355 5.0355 8.2319 8.2319 9.4102 9.4102 10.6456 10.6456 10.8469 10.8469 k = 0.2500 0.0578 0.0346 ( 5216 PWs) bands (ev): -28.0177 -28.0177 -28.0161 -28.0161 -10.9873 -10.9873 -10.8836 -10.8836 -10.0503 -10.0503 -9.8642 -9.8642 -9.5784 -9.5784 -9.5781 -9.5781 -9.2069 -9.2069 -7.9033 -7.9033 -7.4205 -7.4205 1.3513 1.3513 2.0991 2.0991 2.8406 2.8406 3.0624 3.0624 3.1226 3.1226 3.3530 3.3530 3.4757 3.4757 4.9965 4.9965 5.0238 5.0238 8.1758 8.1758 9.4485 9.4485 10.7153 10.7153 10.8693 10.8693 k = 0.2222 0.0514 0.0307 ( 5209 PWs) bands (ev): -28.0177 -28.0177 -28.0161 -28.0161 -10.9905 -10.9905 -10.8805 -10.8805 -10.0523 -10.0523 -9.8583 -9.8583 -9.5783 -9.5783 -9.5781 -9.5781 -9.2132 -9.2132 -7.8973 -7.8973 -7.4240 -7.4240 1.3748 1.3748 2.0462 2.0462 2.8356 2.8356 3.0486 3.0486 3.1504 3.1504 3.3740 3.3740 3.4979 3.4979 4.9867 4.9867 5.0121 5.0121 8.1236 8.1236 9.4823 9.4823 10.7901 10.7901 10.8923 10.8923 k = 0.1944 0.0450 0.0269 ( 5209 PWs) bands (ev): -28.0178 -28.0178 -28.0160 -28.0160 -10.9933 -10.9933 -10.8776 -10.8776 -10.0542 -10.0542 -9.8526 -9.8526 -9.5783 -9.5783 -9.5781 -9.5781 -9.2194 -9.2194 -7.8914 -7.8914 -7.4276 -7.4276 1.4005 1.4005 1.9942 1.9942 2.8298 2.8298 3.0363 3.0363 3.1766 3.1766 3.3941 3.3941 3.5185 3.5185 4.9770 4.9770 5.0005 5.0005 8.0761 8.0761 9.5116 9.5116 10.8678 10.8678 10.9152 10.9152 k = 0.1667 0.0385 0.0230 ( 5215 PWs) bands (ev): -28.0178 -28.0178 -28.0160 -28.0160 -10.9959 -10.9959 -10.8751 -10.8751 -10.0559 -10.0559 -9.8473 -9.8473 -9.5783 -9.5783 -9.5781 -9.5781 -9.2253 -9.2253 -7.8858 -7.8858 -7.4310 -7.4310 1.4283 1.4283 1.9435 1.9435 2.8239 2.8239 3.0256 3.0256 3.2002 3.2002 3.4127 3.4127 3.5372 3.5372 4.9679 4.9679 4.9895 4.9895 8.0339 8.0339 9.5365 9.5365 10.9348 10.9348 10.9372 10.9372 k = 0.1389 0.0321 0.0192 ( 5209 PWs) bands (ev): -28.0179 -28.0179 -28.0159 -28.0159 -10.9981 -10.9981 -10.8729 -10.8729 -10.0573 -10.0573 -9.8425 -9.8425 -9.5783 -9.5783 -9.5781 -9.5781 -9.2307 -9.2307 -7.8807 -7.8807 -7.4341 -7.4341 1.4580 1.4580 1.8943 1.8943 2.8184 2.8184 3.0165 3.0165 3.2208 3.2208 3.4295 3.4295 3.5537 3.5537 4.9596 4.9596 4.9794 4.9794 7.9973 7.9973 9.5573 9.5573 10.9578 10.9578 10.9581 10.9581 k = 0.1111 0.0257 0.0154 ( 5200 PWs) bands (ev): -28.0179 -28.0179 -28.0159 -28.0159 -11.0000 -11.0000 -10.8710 -10.8710 -10.0585 -10.0585 -9.8383 -9.8383 -9.5783 -9.5783 -9.5781 -9.5781 -9.2354 -9.2354 -7.8763 -7.8763 -7.4369 -7.4369 1.4892 1.4892 1.8470 1.8470 2.8137 2.8137 3.0089 3.0089 3.2380 3.2380 3.4439 3.4439 3.5676 3.5676 4.9524 4.9524 4.9706 4.9706 7.9668 7.9668 9.5740 9.5740 10.9740 10.9740 10.9761 10.9761 k = 0.0833 0.0193 0.0115 ( 5206 PWs) bands (ev): -28.0179 -28.0179 -28.0158 -28.0158 -11.0014 -11.0014 -10.8695 -10.8695 -10.0595 -10.0595 -9.8349 -9.8349 -9.5783 -9.5783 -9.5782 -9.5782 -9.2392 -9.2392 -7.8727 -7.8727 -7.4391 -7.4391 1.5213 1.5213 1.8023 1.8023 2.8098 2.8098 3.0031 3.0031 3.2515 3.2515 3.4555 3.4555 3.5788 3.5788 4.9465 4.9465 4.9634 4.9634 7.9427 7.9427 9.5869 9.5869 10.9864 10.9864 10.9914 10.9914 k = 0.0556 0.0128 0.0077 ( 5209 PWs) bands (ev): -28.0180 -28.0180 -28.0158 -28.0158 -11.0025 -11.0025 -10.8685 -10.8685 -10.0602 -10.0602 -9.8324 -9.8324 -9.5783 -9.5783 -9.5782 -9.5782 -9.2420 -9.2420 -7.8700 -7.8700 -7.4408 -7.4408 1.5528 1.5528 1.7617 1.7617 2.8069 2.8069 2.9989 2.9989 3.2613 3.2613 3.4641 3.4641 3.5869 3.5869 4.9421 4.9421 4.9581 4.9581 7.9253 7.9253 9.5960 9.5960 10.9954 10.9954 11.0030 11.0030 k = 0.0278 0.0064 0.0038 ( 5197 PWs) bands (ev): -28.0180 -28.0180 -28.0158 -28.0158 -11.0031 -11.0031 -10.8678 -10.8678 -10.0606 -10.0606 -9.8308 -9.8308 -9.5783 -9.5783 -9.5782 -9.5782 -9.2438 -9.2438 -7.8684 -7.8684 -7.4419 -7.4419 1.5799 1.5799 1.7292 1.7292 2.8052 2.8052 2.9963 2.9963 3.2672 3.2672 3.4694 3.4694 3.5919 3.5919 4.9394 4.9394 4.9548 4.9548 7.9148 7.9148 9.6015 9.6015 11.0008 11.0008 11.0103 11.0103 k = 0.0000 0.0000 0.0000 ( 5203 PWs) bands (ev): -28.0180 -28.0180 -28.0158 -28.0158 -11.0034 -11.0034 -10.8676 -10.8676 -10.0608 -10.0608 -9.8303 -9.8303 -9.5783 -9.5783 -9.5782 -9.5782 -9.2444 -9.2444 -7.8678 -7.8678 -7.4422 -7.4422 1.5920 1.5920 1.7152 1.7152 2.8046 2.8046 2.9955 2.9955 3.2692 3.2692 3.4711 3.4711 3.5935 3.5935 4.9385 4.9385 4.9537 4.9537 7.9113 7.9113 9.6033 9.6033 11.0026 11.0026 11.0128 11.0128 k = 0.0000 0.0000 0.0000 ( 5203 PWs) bands (ev): -28.0180 -28.0180 -28.0158 -28.0158 -11.0034 -11.0034 -10.8676 -10.8676 -10.0608 -10.0608 -9.8303 -9.8303 -9.5783 -9.5783 -9.5782 -9.5782 -9.2444 -9.2444 -7.8678 -7.8678 -7.4422 -7.4422 1.5920 1.5920 1.7152 1.7152 2.8046 2.8046 2.9955 2.9955 3.2692 3.2692 3.4711 3.4711 3.5935 3.5935 4.9385 4.9385 4.9537 4.9537 7.9113 7.9113 9.6033 9.6033 11.0026 11.0026 11.0128 11.0128 k = 0.0065-0.0134-0.0249 ( 5201 PWs) bands (ev): -28.0180 -28.0180 -28.0158 -28.0158 -11.0033 -11.0033 -10.8678 -10.8678 -10.0609 -10.0609 -9.8308 -9.8308 -9.5797 -9.5797 -9.5787 -9.5787 -9.2429 -9.2429 -7.8676 -7.8676 -7.4416 -7.4416 1.5926 1.5926 1.7157 1.7157 2.8042 2.8042 2.9953 2.9953 3.2686 3.2686 3.4696 3.4696 3.5915 3.5915 4.9391 4.9391 4.9542 4.9542 7.9155 7.9155 9.6058 9.6058 11.0004 11.0004 11.0117 11.0117 k = 0.0131-0.0267-0.0497 ( 5203 PWs) bands (ev): -28.0179 -28.0179 -28.0157 -28.0157 -11.0032 -11.0032 -10.8682 -10.8682 -10.0613 -10.0613 -9.8322 -9.8322 -9.5840 -9.5840 -9.5801 -9.5801 -9.2385 -9.2385 -7.8668 -7.8668 -7.4397 -7.4397 1.5943 1.5943 1.7169 1.7169 2.8029 2.8029 2.9946 2.9946 3.2669 3.2669 3.4649 3.4649 3.5856 3.5856 4.9408 4.9408 4.9559 4.9559 7.9280 7.9280 9.6132 9.6132 10.9901 10.9901 11.0103 11.0103 k = 0.0196-0.0401-0.0746 ( 5193 PWs) bands (ev): -28.0177 -28.0177 -28.0156 -28.0156 -11.0030 -11.0030 -10.8688 -10.8688 -10.0619 -10.0619 -9.8345 -9.8345 -9.5908 -9.5908 -9.5825 -9.5825 -9.2317 -9.2317 -7.8656 -7.8656 -7.4366 -7.4366 1.5971 1.5971 1.7190 1.7190 2.8008 2.8008 2.9936 2.9936 3.2640 3.2640 3.4567 3.4567 3.5763 3.5763 4.9437 4.9437 4.9586 4.9586 7.9487 7.9487 9.6254 9.6254 10.9717 10.9717 10.9958 10.9958 k = 0.0261-0.0534-0.0994 ( 5195 PWs) bands (ev): -28.0175 -28.0175 -28.0154 -28.0154 -11.0027 -11.0027 -10.8698 -10.8698 -10.0627 -10.0627 -9.8378 -9.8378 -9.5996 -9.5996 -9.5858 -9.5858 -9.2227 -9.2227 -7.8638 -7.8638 -7.4322 -7.4322 1.6009 1.6009 1.7219 1.7219 2.7976 2.7976 2.9922 2.9922 3.2600 3.2600 3.4446 3.4446 3.5646 3.5646 4.9476 4.9476 4.9624 4.9624 7.9773 7.9773 9.6422 9.6422 10.9399 10.9399 10.9538 10.9538 k = 0.0326-0.0668-0.1243 ( 5195 PWs) bands (ev): -28.0173 -28.0173 -28.0151 -28.0151 -11.0024 -11.0024 -10.8710 -10.8710 -10.0638 -10.0638 -9.8421 -9.8421 -9.6098 -9.6098 -9.5900 -9.5900 -9.2122 -9.2122 -7.8615 -7.8615 -7.4268 -7.4268 1.6059 1.6059 1.7256 1.7256 2.7935 2.7935 2.9904 2.9904 3.2546 3.2546 3.4283 3.4283 3.5513 3.5513 4.9524 4.9524 4.9673 4.9673 8.0134 8.0134 9.6631 9.6631 10.8768 10.8768 10.9242 10.9242 k = 0.0392-0.0801-0.1492 ( 5195 PWs) bands (ev): -28.0170 -28.0170 -28.0149 -28.0149 -11.0021 -11.0021 -10.8724 -10.8724 -10.0652 -10.0652 -9.8475 -9.8475 -9.6210 -9.6210 -9.5949 -9.5949 -9.2005 -9.2005 -7.8587 -7.8587 -7.4202 -7.4202 1.6118 1.6118 1.7300 1.7300 2.7881 2.7881 2.9885 2.9885 3.2479 3.2479 3.4075 3.4075 3.5376 3.5376 4.9579 4.9579 4.9733 4.9733 8.0566 8.0566 9.6877 9.6877 10.8080 10.8080 10.8950 10.8950 k = 0.0457-0.0935-0.1740 ( 5205 PWs) bands (ev): -28.0167 -28.0167 -28.0145 -28.0145 -11.0017 -11.0017 -10.8742 -10.8742 -10.0668 -10.0668 -9.8539 -9.8539 -9.6327 -9.6327 -9.6005 -9.6005 -9.1882 -9.1882 -7.8553 -7.8553 -7.4127 -7.4127 1.6188 1.6188 1.7351 1.7351 2.7815 2.7815 2.9863 2.9863 3.2394 3.2394 3.3828 3.3828 3.5239 3.5239 4.9640 4.9640 4.9805 4.9805 8.1064 8.1064 9.7154 9.7154 10.7388 10.7388 10.8650 10.8650 k = 0.0522-0.1068-0.1989 ( 5207 PWs) bands (ev): -28.0163 -28.0163 -28.0142 -28.0142 -11.0014 -11.0014 -10.8761 -10.8761 -10.0687 -10.0687 -9.8614 -9.8614 -9.6446 -9.6446 -9.6068 -9.6068 -9.1755 -9.1755 -7.8513 -7.8513 -7.4042 -7.4042 1.6268 1.6268 1.7408 1.7408 2.7735 2.7735 2.9840 2.9840 3.2287 3.2287 3.3552 3.3552 3.5105 3.5105 4.9704 4.9704 4.9888 4.9888 8.1621 8.1621 9.7454 9.7454 10.6709 10.6709 10.8345 10.8345 k = 0.0587-0.1202-0.2237 ( 5217 PWs) bands (ev): -28.0158 -28.0158 -28.0138 -28.0138 -11.0012 -11.0012 -10.8784 -10.8784 -10.0708 -10.0708 -9.8698 -9.8698 -9.6562 -9.6562 -9.6135 -9.6135 -9.1629 -9.1629 -7.8466 -7.8466 -7.3949 -7.3949 1.6357 1.6357 1.7470 1.7470 2.7638 2.7638 2.9815 2.9815 3.2148 3.2148 3.3266 3.3266 3.4976 3.4976 4.9770 4.9770 4.9982 4.9982 8.2233 8.2233 9.7769 9.7769 10.6053 10.6053 10.8043 10.8043 k = 0.0653-0.1335-0.2486 ( 5221 PWs) bands (ev): -28.0153 -28.0153 -28.0133 -28.0133 -11.0011 -11.0011 -10.8809 -10.8809 -10.0732 -10.0732 -9.8792 -9.8792 -9.6675 -9.6675 -9.6206 -9.6206 -9.1505 -9.1505 -7.8414 -7.8414 -7.3849 -7.3849 1.6455 1.6455 1.7537 1.7537 2.7523 2.7523 2.9789 2.9789 3.1964 3.1964 3.2994 3.2994 3.4849 3.4849 4.9837 4.9837 5.0087 5.0087 8.2893 8.2893 9.8087 9.8087 10.5431 10.5431 10.7746 10.7746 k = 0.0718-0.1469-0.2734 ( 5219 PWs) bands (ev): -28.0148 -28.0148 -28.0128 -28.0128 -11.0011 -11.0011 -10.8836 -10.8836 -10.0758 -10.0758 -9.8895 -9.8895 -9.6783 -9.6783 -9.6280 -9.6280 -9.1385 -9.1385 -7.8355 -7.8355 -7.3742 -7.3742 1.6560 1.6560 1.7608 1.7608 2.7389 2.7389 2.9761 2.9761 3.1723 3.1723 3.2760 3.2760 3.4724 3.4724 4.9904 4.9904 5.0201 5.0201 8.3596 8.3596 9.8395 9.8395 10.4855 10.4855 10.7456 10.7456 k = 0.0783-0.1603-0.2983 ( 5225 PWs) bands (ev): -28.0142 -28.0142 -28.0123 -28.0123 -11.0012 -11.0012 -10.8865 -10.8865 -10.0786 -10.0786 -9.9003 -9.9003 -9.6887 -9.6887 -9.6356 -9.6356 -9.1272 -9.1272 -7.8291 -7.8291 -7.3630 -7.3630 1.6672 1.6672 1.7683 1.7683 2.7232 2.7232 2.9731 2.9731 3.1428 3.1428 3.2571 3.2571 3.4600 3.4600 4.9969 4.9969 5.0324 5.0324 8.4335 8.4335 9.8676 9.8676 10.4341 10.4341 10.7174 10.7174 k = 0.0848-0.1736-0.3232 ( 5223 PWs) bands (ev): -28.0136 -28.0136 -28.0117 -28.0117 -11.0016 -11.0016 -10.8897 -10.8897 -10.0817 -10.0817 -9.9116 -9.9116 -9.6986 -9.6986 -9.6431 -9.6431 -9.1166 -9.1166 -7.8220 -7.8220 -7.3514 -7.3514 1.6790 1.6790 1.7760 1.7760 2.7052 2.7052 2.9697 2.9697 3.1099 3.1099 3.2419 3.2419 3.4478 3.4478 5.0032 5.0032 5.0455 5.0455 8.5106 8.5106 9.8909 9.8909 10.3906 10.3906 10.6899 10.6899 k = 0.0914-0.1870-0.3480 ( 5229 PWs) bands (ev): -28.0130 -28.0130 -28.0111 -28.0111 -11.0023 -11.0023 -10.8931 -10.8931 -10.0851 -10.0851 -9.9232 -9.9232 -9.7081 -9.7081 -9.6506 -9.6506 -9.1069 -9.1069 -7.8142 -7.8142 -7.3393 -7.3393 1.6911 1.6911 1.7841 1.7841 2.6846 2.6846 2.9659 2.9659 3.0757 3.0757 3.2291 3.2291 3.4357 3.4357 5.0092 5.0092 5.0591 5.0591 8.5901 8.5901 9.9069 9.9069 10.3573 10.3573 10.6630 10.6630 k = 0.0979-0.2003-0.3729 ( 5223 PWs) bands (ev): -28.0123 -28.0123 -28.0104 -28.0104 -11.0032 -11.0032 -10.8966 -10.8966 -10.0887 -10.0887 -9.9348 -9.9348 -9.7174 -9.7174 -9.6579 -9.6579 -9.0980 -9.0980 -7.8060 -7.8060 -7.3270 -7.3270 1.7034 1.7034 1.7923 1.7923 2.6613 2.6613 2.9615 2.9615 3.0421 3.0421 3.2178 3.2178 3.4238 3.4238 5.0149 5.0149 5.0734 5.0734 8.6716 8.6716 9.9137 9.9137 10.3360 10.3360 10.6365 10.6365 k = 0.1044-0.2137-0.3977 ( 5223 PWs) bands (ev): -28.0116 -28.0116 -28.0098 -28.0098 -11.0044 -11.0044 -10.9003 -10.9003 -10.0925 -10.0925 -9.9463 -9.9463 -9.7264 -9.7264 -9.6650 -9.6650 -9.0901 -9.0901 -7.7971 -7.7971 -7.3145 -7.3145 1.7156 1.7156 1.8010 1.8010 2.6354 2.6354 2.9564 2.9564 3.0102 3.0102 3.2073 3.2073 3.4123 3.4123 5.0201 5.0201 5.0880 5.0880 8.7544 8.7544 9.9105 9.9105 10.3274 10.3274 10.6099 10.6099 k = 0.1110-0.2270-0.4226 ( 5221 PWs) bands (ev): -28.0109 -28.0109 -28.0091 -28.0091 -11.0060 -11.0060 -10.9042 -10.9042 -10.0966 -10.0966 -9.9574 -9.9574 -9.7354 -9.7354 -9.6717 -9.6717 -9.0831 -9.0831 -7.7878 -7.7878 -7.3019 -7.3019 1.7272 1.7272 1.8101 1.8101 2.6073 2.6073 2.9505 2.9505 2.9809 2.9809 3.1975 3.1975 3.4012 3.4012 5.0248 5.0248 5.1029 5.1029 8.8380 8.8380 9.8983 9.8983 10.3303 10.3303 10.5829 10.5829 k = 0.1175-0.2404-0.4475 ( 5223 PWs) bands (ev): -28.0101 -28.0101 -28.0084 -28.0084 -11.0079 -11.0079 -10.9082 -10.9082 -10.1008 -10.1008 -9.9681 -9.9681 -9.7443 -9.7443 -9.6781 -9.6781 -9.0771 -9.0771 -7.7780 -7.7780 -7.2893 -7.2893 1.7378 1.7378 1.8199 1.8199 2.5773 2.5773 2.9429 2.9429 2.9552 2.9552 3.1880 3.1880 3.3907 3.3907 5.0290 5.0290 5.1181 5.1181 8.9217 8.9217 9.8799 9.8799 10.3422 10.3422 10.5551 10.5551 k = 0.1240-0.2537-0.4723 ( 5219 PWs) bands (ev): -28.0094 -28.0094 -28.0077 -28.0077 -11.0103 -11.0103 -10.9123 -10.9123 -10.1052 -10.1052 -9.9781 -9.9781 -9.7532 -9.7532 -9.6842 -9.6842 -9.0720 -9.0720 -7.7677 -7.7677 -7.2766 -7.2766 1.7469 1.7469 1.8307 1.8307 2.5461 2.5461 2.9273 2.9273 2.9392 2.9392 3.1789 3.1789 3.3809 3.3809 5.0327 5.0327 5.1333 5.1333 9.0049 9.0049 9.8583 9.8583 10.3604 10.3604 10.5262 10.5262 k = 0.1305-0.2671-0.4972 ( 5217 PWs) bands (ev): -28.0086 -28.0086 -28.0069 -28.0069 -11.0130 -11.0130 -10.9164 -10.9164 -10.1098 -10.1098 -9.9875 -9.9875 -9.7620 -9.7620 -9.6899 -9.6899 -9.0678 -9.0678 -7.7572 -7.7572 -7.2640 -7.2640 1.7537 1.7537 1.8428 1.8428 2.5146 2.5146 2.9063 2.9063 2.9301 2.9301 3.1699 3.1699 3.3719 3.3719 5.0359 5.0359 5.1485 5.1485 9.0868 9.0868 9.8361 9.8361 10.3824 10.3824 10.4961 10.4961 k = 0.1371-0.2804-0.5220 ( 5207 PWs) bands (ev): -28.0078 -28.0078 -28.0062 -28.0062 -11.0161 -11.0161 -10.9206 -10.9206 -10.1145 -10.1145 -9.9961 -9.9961 -9.7708 -9.7708 -9.6953 -9.6953 -9.0644 -9.0644 -7.7463 -7.7463 -7.2516 -7.2516 1.7581 1.7581 1.8562 1.8562 2.4834 2.4834 2.8865 2.8865 2.9211 2.9211 3.1612 3.1612 3.3636 3.3636 5.0386 5.0386 5.1637 5.1637 9.1667 9.1667 9.8154 9.8154 10.4069 10.4069 10.4647 10.4647 k = 0.1436-0.2938-0.5469 ( 5207 PWs) bands (ev): -28.0070 -28.0070 -28.0054 -28.0054 -11.0197 -11.0197 -10.9247 -10.9247 -10.1194 -10.1194 -10.0039 -10.0039 -9.7795 -9.7795 -9.7005 -9.7005 -9.0618 -9.0618 -7.7353 -7.7353 -7.2393 -7.2393 1.7598 1.7598 1.8709 1.8709 2.4536 2.4536 2.8678 2.8678 2.9118 2.9118 3.1526 3.1526 3.3562 3.3562 5.0407 5.0407 5.1786 5.1786 9.2433 9.2433 9.7981 9.7981 10.4279 10.4279 10.4374 10.4374 k = 0.1501-0.3072-0.5718 ( 5207 PWs) bands (ev): -28.0062 -28.0062 -28.0047 -28.0047 -11.0236 -11.0236 -10.9288 -10.9288 -10.1243 -10.1243 -10.0109 -10.0109 -9.7881 -9.7881 -9.7055 -9.7055 -9.0599 -9.0599 -7.7240 -7.7240 -7.2272 -7.2272 1.7587 1.7587 1.8866 1.8866 2.4256 2.4256 2.8496 2.8496 2.9024 2.9024 3.1444 3.1444 3.3495 3.3495 5.0424 5.0424 5.1931 5.1931 9.3155 9.3155 9.7855 9.7855 10.3975 10.3975 10.4617 10.4617 k = 0.1566-0.3205-0.5966 ( 5205 PWs) bands (ev): -28.0054 -28.0054 -28.0039 -28.0039 -11.0278 -11.0278 -10.9329 -10.9329 -10.1293 -10.1293 -10.0170 -10.0170 -9.7966 -9.7966 -9.7103 -9.7103 -9.0586 -9.0586 -7.7128 -7.7128 -7.2154 -7.2154 1.7551 1.7551 1.9032 1.9032 2.4002 2.4002 2.8314 2.8314 2.8932 2.8932 3.1364 3.1364 3.3435 3.3435 5.0438 5.0438 5.2073 5.2073 9.3815 9.3815 9.7794 9.7794 10.3634 10.3634 10.4905 10.4905 k = 0.1632-0.3339-0.6215 ( 5207 PWs) bands (ev): -28.0046 -28.0046 -28.0032 -28.0032 -11.0324 -11.0324 -10.9368 -10.9368 -10.1344 -10.1344 -10.0222 -10.0222 -9.8049 -9.8049 -9.7151 -9.7151 -9.0579 -9.0579 -7.7015 -7.7015 -7.2038 -7.2038 1.7490 1.7490 1.9204 1.9204 2.3777 2.3777 2.8126 2.8126 2.8845 2.8845 3.1288 3.1288 3.3382 3.3382 5.0447 5.0447 5.2209 5.2209 9.4396 9.4396 9.7815 9.7815 10.3291 10.3291 10.5207 10.5207 k = 0.1697-0.3472-0.6463 ( 5211 PWs) bands (ev): -28.0038 -28.0038 -28.0024 -28.0024 -11.0372 -11.0372 -10.9405 -10.9405 -10.1396 -10.1396 -10.0267 -10.0267 -9.8131 -9.8131 -9.7198 -9.7198 -9.0576 -9.0576 -7.6902 -7.6902 -7.1925 -7.1925 1.7407 1.7407 1.9379 1.9379 2.3583 2.3583 2.7929 2.7929 2.8766 2.8766 3.1217 3.1217 3.3333 3.3333 5.0454 5.0454 5.2340 5.2340 9.4878 9.4878 9.7931 9.7931 10.2953 10.2953 10.5524 10.5524 k = 0.1762-0.3606-0.6712 ( 5215 PWs) bands (ev): -28.0030 -28.0030 -28.0017 -28.0017 -11.0423 -11.0423 -10.9441 -10.9441 -10.1449 -10.1449 -10.0303 -10.0303 -9.8210 -9.8210 -9.7244 -9.7244 -9.0577 -9.0577 -7.6792 -7.6792 -7.1816 -7.1816 1.7305 1.7305 1.9556 1.9556 2.3423 2.3423 2.7718 2.7718 2.8697 2.8697 3.1151 3.1151 3.3287 3.3287 5.0459 5.0459 5.2463 5.2463 9.5257 9.5257 9.8146 9.8146 10.2625 10.2625 10.5857 10.5857 k = 0.1827-0.3739-0.6960 ( 5217 PWs) bands (ev): -28.0023 -28.0023 -28.0010 -28.0010 -11.0476 -11.0476 -10.9475 -10.9475 -10.1503 -10.1503 -10.0331 -10.0331 -9.8287 -9.8287 -9.7291 -9.7291 -9.0581 -9.0581 -7.6683 -7.6683 -7.1710 -7.1710 1.7189 1.7189 1.9732 1.9732 2.3294 2.3294 2.7494 2.7494 2.8639 2.8639 3.1089 3.1089 3.3243 3.3243 5.0464 5.0464 5.2580 5.2580 9.5544 9.5544 9.8442 9.8442 10.2311 10.2311 10.6207 10.6207 k = 0.1893-0.3873-0.7209 ( 5225 PWs) bands (ev): -28.0015 -28.0015 -28.0003 -28.0003 -11.0530 -11.0530 -10.9506 -10.9506 -10.1558 -10.1558 -10.0352 -10.0352 -9.8362 -9.8362 -9.7338 -9.7338 -9.0587 -9.0587 -7.6577 -7.6577 -7.1607 -7.1607 1.7062 1.7062 1.9906 1.9906 2.3196 2.3196 2.7256 2.7256 2.8591 2.8591 3.1034 3.1034 3.3200 3.3200 5.0468 5.0468 5.2688 5.2688 9.5770 9.5770 9.8787 9.8787 10.2015 10.2015 10.6574 10.6574 k = 0.1958-0.4006-0.7458 ( 5227 PWs) bands (ev): -28.0008 -28.0008 -27.9996 -27.9996 -11.0585 -11.0585 -10.9535 -10.9535 -10.1614 -10.1614 -10.0366 -10.0366 -9.8435 -9.8435 -9.7385 -9.7385 -9.0593 -9.0593 -7.6474 -7.6474 -7.1509 -7.1509 1.6931 1.6931 2.0076 2.0076 2.3127 2.3127 2.7005 2.7005 2.8553 2.8553 3.0983 3.0983 3.3155 3.3155 5.0473 5.0473 5.2787 5.2787 9.5963 9.5963 9.9148 9.9148 10.1742 10.1742 10.6952 10.6952 k = 0.2023-0.4140-0.7706 ( 5227 PWs) bands (ev): -28.0001 -28.0001 -27.9990 -27.9990 -11.0640 -11.0640 -10.9560 -10.9560 -10.1671 -10.1671 -10.0373 -10.0373 -9.8505 -9.8505 -9.7433 -9.7433 -9.0601 -9.0601 -7.6374 -7.6374 -7.1414 -7.1414 1.6799 1.6799 2.0241 2.0241 2.3082 2.3082 2.6743 2.6743 2.8524 2.8524 3.0937 3.0937 3.3109 3.3109 5.0481 5.0481 5.2877 5.2877 9.6148 9.6148 9.9500 9.9500 10.1494 10.1494 10.7335 10.7335 k = 0.2089-0.4274-0.7955 ( 5227 PWs) bands (ev): -27.9994 -27.9994 -27.9984 -27.9984 -11.0694 -11.0694 -10.9582 -10.9582 -10.1729 -10.1729 -10.0373 -10.0373 -9.8573 -9.8573 -9.7481 -9.7481 -9.0608 -9.0608 -7.6279 -7.6279 -7.1323 -7.1323 1.6671 1.6671 2.0399 2.0399 2.3060 2.3060 2.6472 2.6472 2.8503 2.8503 3.0897 3.0897 3.3059 3.3059 5.0491 5.0491 5.2957 5.2957 9.6340 9.6340 9.9826 9.9826 10.1274 10.1274 10.7711 10.7711 k = 0.2154-0.4407-0.8203 ( 5229 PWs) bands (ev): -27.9987 -27.9987 -27.9978 -27.9978 -11.0748 -11.0748 -10.9601 -10.9601 -10.1788 -10.1788 -10.0368 -10.0368 -9.8639 -9.8639 -9.7530 -9.7530 -9.0614 -9.0614 -7.6189 -7.6189 -7.1236 -7.1236 1.6552 1.6552 2.0549 2.0549 2.3057 2.3057 2.6194 2.6194 2.8490 2.8490 3.0860 3.0860 3.3006 3.3006 5.0506 5.0506 5.3027 5.3027 9.6548 9.6548 10.0116 10.0116 10.1083 10.1083 10.8022 10.8022 k = 0.2219-0.4541-0.8452 ( 5223 PWs) bands (ev): -27.9981 -27.9981 -27.9972 -27.9972 -11.0801 -11.0801 -10.9616 -10.9616 -10.1847 -10.1847 -10.0357 -10.0357 -9.8703 -9.8703 -9.7580 -9.7580 -9.0618 -9.0618 -7.6104 -7.6104 -7.1153 -7.1153 1.6444 1.6444 2.0689 2.0689 2.3070 2.3070 2.5909 2.5909 2.8484 2.8484 3.0827 3.0827 3.2949 3.2949 5.0527 5.0527 5.3086 5.3086 9.6776 9.6776 10.0365 10.0365 10.0925 10.0925 10.8089 10.8089 k = 0.2284-0.4674-0.8701 ( 5215 PWs) bands (ev): -27.9975 -27.9975 -27.9966 -27.9966 -11.0852 -11.0852 -10.9628 -10.9628 -10.1908 -10.1908 -10.0341 -10.0341 -9.8765 -9.8765 -9.7630 -9.7630 -9.0621 -9.0621 -7.6024 -7.6024 -7.1074 -7.1074 1.6352 1.6352 2.0818 2.0818 2.3096 2.3096 2.5622 2.5622 2.8485 2.8485 3.0796 3.0796 3.2887 3.2887 5.0553 5.0553 5.3133 5.3133 9.7028 9.7028 10.0563 10.0563 10.0807 10.0807 10.8089 10.8089 k = 0.2350-0.4808-0.8949 ( 5221 PWs) bands (ev): -27.9969 -27.9969 -27.9961 -27.9961 -11.0901 -11.0901 -10.9636 -10.9636 -10.1969 -10.1969 -10.0321 -10.0321 -9.8826 -9.8826 -9.7680 -9.7680 -9.0622 -9.0622 -7.5949 -7.5949 -7.1000 -7.1000 1.6278 1.6278 2.0933 2.0933 2.3133 2.3133 2.5335 2.5335 2.8492 2.8492 3.0766 3.0766 3.2821 3.2821 5.0587 5.0587 5.3169 5.3169 9.7304 9.7304 10.0643 10.0643 10.0795 10.0795 10.8095 10.8095 k = 0.2415-0.4941-0.9198 ( 5223 PWs) bands (ev): -27.9964 -27.9964 -27.9957 -27.9957 -11.0947 -11.0947 -10.9641 -10.9641 -10.2030 -10.2030 -10.0297 -10.0297 -9.8885 -9.8885 -9.7731 -9.7731 -9.0620 -9.0620 -7.5881 -7.5881 -7.0930 -7.0930 1.6224 1.6224 2.1033 2.1033 2.3180 2.3180 2.5049 2.5049 2.8506 2.8506 3.0736 3.0736 3.2751 3.2751 5.0630 5.0630 5.3194 5.3194 9.7603 9.7603 10.0600 10.0600 10.0893 10.0893 10.8110 10.8110 k = 0.2480-0.5075-0.9446 ( 5217 PWs) bands (ev): -27.9959 -27.9959 -27.9952 -27.9952 -11.0990 -11.0990 -10.9643 -10.9643 -10.2091 -10.2091 -10.0270 -10.0270 -9.8943 -9.8943 -9.7780 -9.7780 -9.0616 -9.0616 -7.5818 -7.5818 -7.0864 -7.0864 1.6192 1.6192 2.1115 2.1115 2.3232 2.3232 2.4770 2.4770 2.8526 2.8526 3.0705 3.0705 3.2679 3.2679 5.0681 5.0681 5.3206 5.3206 9.7922 9.7922 10.0566 10.0566 10.0973 10.0973 10.8136 10.8136 k = 0.2545-0.5208-0.9695 ( 5223 PWs) bands (ev): -27.9954 -27.9954 -27.9948 -27.9948 -11.1031 -11.1031 -10.9641 -10.9641 -10.2151 -10.2151 -10.0239 -10.0239 -9.9000 -9.9000 -9.7830 -9.7830 -9.0609 -9.0609 -7.5761 -7.5761 -7.0803 -7.0803 1.6182 1.6182 2.1176 2.1176 2.3290 2.3290 2.4500 2.4500 2.8552 2.8552 3.0669 3.0669 3.2605 3.2605 5.0742 5.0742 5.3205 5.3205 9.8256 9.8256 10.0559 10.0559 10.1018 10.1018 10.8171 10.8171 k = 0.2611-0.5342-0.9944 ( 5219 PWs) bands (ev): -27.9950 -27.9950 -27.9944 -27.9944 -11.1068 -11.1068 -10.9636 -10.9636 -10.2210 -10.2210 -10.0205 -10.0205 -9.9056 -9.9056 -9.7877 -9.7877 -9.0600 -9.0600 -7.5710 -7.5710 -7.0746 -7.0746 1.6196 1.6196 2.1212 2.1212 2.3351 2.3351 2.4244 2.4244 2.8586 2.8586 3.0629 3.0629 3.2531 3.2531 5.0812 5.0812 5.3192 5.3192 9.8598 9.8598 10.0577 10.0577 10.1037 10.1037 10.8216 10.8216 k = 0.2676-0.5475-1.0192 ( 5229 PWs) bands (ev): -27.9946 -27.9946 -27.9941 -27.9941 -11.1102 -11.1102 -10.9630 -10.9630 -10.2267 -10.2267 -10.0168 -10.0168 -9.9112 -9.9112 -9.7924 -9.7924 -9.0589 -9.0589 -7.5665 -7.5665 -7.0694 -7.0694 1.6233 1.6233 2.1220 2.1220 2.3414 2.3414 2.4008 2.4008 2.8626 2.8626 3.0580 3.0580 3.2459 3.2459 5.0893 5.0893 5.3165 5.3165 9.8933 9.8933 10.0620 10.0620 10.1041 10.1041 10.8270 10.8270 k = 0.2741-0.5609-1.0441 ( 5221 PWs) bands (ev): -27.9943 -27.9943 -27.9938 -27.9938 -11.1133 -11.1133 -10.9620 -10.9620 -10.2321 -10.2321 -10.0129 -10.0129 -9.9167 -9.9167 -9.7968 -9.7968 -9.0577 -9.0577 -7.5626 -7.5626 -7.0646 -7.0646 1.6293 1.6293 2.1195 2.1195 2.3475 2.3475 2.3799 2.3799 2.8675 2.8675 3.0522 3.0522 3.2391 3.2391 5.0985 5.0985 5.3126 5.3126 9.9232 9.9232 10.0687 10.0687 10.1060 10.1060 10.8332 10.8332 k = 0.2806-0.5743-1.0689 ( 5221 PWs) bands (ev): -27.9940 -27.9940 -27.9935 -27.9935 -11.1160 -11.1160 -10.9610 -10.9610 -10.2372 -10.2372 -10.0088 -10.0088 -9.9223 -9.9223 -9.8009 -9.8009 -9.0563 -9.0563 -7.5592 -7.5592 -7.0603 -7.0603 1.6375 1.6375 2.1135 2.1135 2.3520 2.3520 2.3634 2.3634 2.8731 2.8731 3.0452 3.0452 3.2329 3.2329 5.1086 5.1086 5.3073 5.3073 9.9453 9.9453 10.0777 10.0777 10.1138 10.1138 10.8403 10.8403 k = 0.2872-0.5876-1.0938 ( 5217 PWs) bands (ev): -27.9937 -27.9937 -27.9933 -27.9933 -11.1183 -11.1183 -10.9598 -10.9598 -10.2420 -10.2420 -10.0044 -10.0044 -9.9279 -9.9279 -9.8047 -9.8047 -9.0548 -9.0548 -7.5564 -7.5564 -7.0565 -7.0565 1.6478 1.6478 2.1039 2.1039 2.3440 2.3440 2.3625 2.3625 2.8795 2.8795 3.0369 3.0369 3.2275 3.2275 5.1197 5.1197 5.3008 5.3008 9.9551 9.9551 10.0886 10.0886 10.1323 10.1323 10.8484 10.8484 k = 0.2937-0.6010-1.1186 ( 5209 PWs) bands (ev): -27.9934 -27.9934 -27.9931 -27.9931 -11.1203 -11.1203 -10.9586 -10.9586 -10.2463 -10.2463 -9.9998 -9.9998 -9.9335 -9.9335 -9.8081 -9.8081 -9.0534 -9.0534 -7.5541 -7.5541 -7.0532 -7.0532 1.6600 1.6600 2.0910 2.0910 2.3324 2.3324 2.3680 2.3680 2.8869 2.8869 3.0272 3.0272 3.2229 3.2229 5.1318 5.1318 5.2929 5.2929 9.9526 9.9526 10.1006 10.1006 10.1625 10.1625 10.8575 10.8575 k = 0.3002-0.6143-1.1435 ( 5211 PWs) bands (ev): -27.9932 -27.9932 -27.9930 -27.9930 -11.1220 -11.1220 -10.9574 -10.9574 -10.2501 -10.2501 -9.9951 -9.9951 -9.9391 -9.9391 -9.8111 -9.8111 -9.0520 -9.0520 -7.5522 -7.5522 -7.0504 -7.0504 1.6736 1.6736 2.0754 2.0754 2.3230 2.3230 2.3738 2.3738 2.8951 2.8951 3.0163 3.0163 3.2192 3.2192 5.1446 5.1446 5.2838 5.2838 9.9415 9.9415 10.1132 10.1132 10.2012 10.2012 10.8679 10.8679 k = 0.3068-0.6277-1.1684 ( 5207 PWs) bands (ev): -27.9931 -27.9931 -27.9929 -27.9929 -11.1233 -11.1233 -10.9562 -10.9562 -10.2533 -10.2533 -9.9901 -9.9901 -9.9448 -9.9448 -9.8135 -9.8135 -9.0507 -9.0507 -7.5508 -7.5508 -7.0481 -7.0481 1.6882 1.6882 2.0582 2.0582 2.3157 2.3157 2.3795 2.3795 2.9042 2.9042 3.0043 3.0043 3.2165 3.2165 5.1582 5.1582 5.2735 5.2735 9.9256 9.9256 10.1262 10.1262 10.2449 10.2449 10.8795 10.8795 k = 0.3133-0.6410-1.1932 ( 5205 PWs) bands (ev): -27.9929 -27.9929 -27.9928 -27.9928 -11.1243 -11.1243 -10.9553 -10.9553 -10.2559 -10.2559 -9.9851 -9.9851 -9.9505 -9.9505 -9.8155 -9.8155 -9.0496 -9.0496 -7.5498 -7.5498 -7.0462 -7.0462 1.7032 1.7032 2.0404 2.0404 2.3099 2.3099 2.3851 2.3851 2.9141 2.9141 2.9914 2.9914 3.2146 3.2146 5.1724 5.1724 5.2620 5.2620 9.9074 9.9074 10.1391 10.1391 10.2912 10.2912 10.8913 10.8913 k = 0.3198-0.6544-1.2181 ( 5209 PWs) bands (ev): -27.9928 -27.9928 -27.9927 -27.9927 -11.1251 -11.1251 -10.9545 -10.9545 -10.2578 -10.2578 -9.9801 -9.9801 -9.9559 -9.9559 -9.8169 -9.8169 -9.0488 -9.0488 -7.5492 -7.5492 -7.0449 -7.0449 1.7176 1.7176 2.0235 2.0235 2.3050 2.3050 2.3906 2.3906 2.9246 2.9246 2.9781 2.9781 3.2134 3.2134 5.1869 5.1869 5.2497 5.2497 9.8887 9.8887 10.1515 10.1515 10.3388 10.3388 10.8902 10.8902 k = 0.3263-0.6677-1.2429 ( 5211 PWs) bands (ev): -27.9928 -27.9928 -27.9927 -27.9927 -11.1255 -11.1255 -10.9540 -10.9540 -10.2590 -10.2590 -9.9757 -9.9757 -9.9606 -9.9606 -9.8177 -9.8177 -9.0483 -9.0483 -7.5488 -7.5488 -7.0440 -7.0440 1.7301 1.7301 2.0089 2.0089 2.3007 2.3007 2.3960 2.3960 2.9342 2.9342 2.9660 2.9660 3.2129 3.2129 5.2010 5.2010 5.2371 5.2371 9.8706 9.8706 10.1631 10.1631 10.3865 10.3865 10.8839 10.8839 k = 0.3329-0.6811-1.2678 ( 5209 PWs) bands (ev): -27.9927 -27.9927 -27.9927 -27.9927 -11.1257 -11.1257 -10.9538 -10.9538 -10.2595 -10.2595 -9.9744 -9.9744 -9.9620 -9.9620 -9.8178 -9.8178 -9.0482 -9.0482 -7.5488 -7.5488 -7.0437 -7.0437 1.7390 1.7390 1.9985 1.9985 2.2965 2.2965 2.4015 2.4015 2.9363 2.9363 2.9622 2.9622 3.2129 3.2129 5.2100 5.2100 5.2288 5.2288 9.8538 9.8538 10.1733 10.1733 10.4334 10.4334 10.8764 10.8764 k = 0.3394-0.6944-1.2927 ( 5209 PWs) bands (ev): -27.9927 -27.9927 -27.9927 -27.9927 -11.1256 -11.1256 -10.9540 -10.9540 -10.2591 -10.2591 -9.9780 -9.9780 -9.9584 -9.9584 -9.8173 -9.8173 -9.0486 -9.0486 -7.5490 -7.5490 -7.0438 -7.0438 1.7429 1.7429 1.9938 1.9938 2.2923 2.2923 2.4073 2.4073 2.9262 2.9262 2.9715 2.9715 3.2133 3.2133 5.2013 5.2013 5.2375 5.2375 9.8389 9.8389 10.1820 10.1820 10.4784 10.4784 10.8675 10.8675 k = 0.6606-0.5788-1.2235 ( 5209 PWs) bands (ev): -27.9927 -27.9927 -27.9927 -27.9927 -11.1256 -11.1256 -10.9540 -10.9540 -10.2591 -10.2591 -9.9780 -9.9780 -9.9584 -9.9584 -9.8173 -9.8173 -9.0486 -9.0486 -7.5490 -7.5490 -7.0438 -7.0438 1.7429 1.7429 1.9938 1.9938 2.2923 2.2923 2.4073 2.4073 2.9262 2.9262 2.9715 2.9715 3.2133 3.2133 5.2013 5.2013 5.2375 5.2375 9.8389 9.8389 10.1820 10.1820 10.4784 10.4784 10.8675 10.8675 k = 0.6542-0.5510-1.2235 ( 5205 PWs) bands (ev): -27.9928 -27.9928 -27.9927 -27.9927 -11.1252 -11.1252 -10.9546 -10.9546 -10.2580 -10.2580 -9.9832 -9.9832 -9.9528 -9.9528 -9.8162 -9.8162 -9.0494 -9.0494 -7.5494 -7.5494 -7.0444 -7.0444 1.7407 1.7407 1.9955 1.9955 2.2879 2.2879 2.4134 2.4134 2.9128 2.9128 2.9851 2.9851 3.2140 3.2140 5.1865 5.1865 5.2517 5.2517 9.8263 9.8263 10.1886 10.1886 10.5198 10.5198 10.8572 10.8572 k = 0.6478-0.5232-1.2235 ( 5209 PWs) bands (ev): -27.9929 -27.9929 -27.9928 -27.9928 -11.1247 -11.1247 -10.9556 -10.9556 -10.2563 -10.2563 -9.9889 -9.9889 -9.9465 -9.9465 -9.8145 -9.8145 -9.0509 -9.0509 -7.5500 -7.5500 -7.0454 -7.0454 1.7326 1.7326 2.0034 2.0034 2.2832 2.2832 2.4203 2.4203 2.8990 2.8990 3.0005 3.0005 3.2149 3.2149 5.1702 5.1702 5.2665 5.2665 9.8160 9.8160 10.1932 10.1932 10.5568 10.5568 10.8460 10.8460 k = 0.6413-0.4955-1.2235 ( 5205 PWs) bands (ev): -27.9930 -27.9930 -27.9928 -27.9928 -11.1240 -11.1240 -10.9571 -10.9571 -10.2538 -10.2538 -9.9948 -9.9948 -9.9397 -9.9397 -9.8121 -9.8121 -9.0529 -9.0529 -7.5506 -7.5506 -7.0468 -7.0468 1.7195 1.7195 2.0160 2.0160 2.2780 2.2780 2.4282 2.4282 2.8855 2.8855 3.0170 3.0170 3.2160 3.2160 5.1533 5.1533 5.2812 5.2812 9.8081 9.8081 10.1955 10.1955 10.5871 10.5871 10.8349 10.8349 k = 0.6349-0.4677-1.2235 ( 5215 PWs) bands (ev): -27.9931 -27.9931 -27.9929 -27.9929 -11.1231 -11.1231 -10.9590 -10.9590 -10.2507 -10.2507 -10.0007 -10.0007 -9.9326 -9.9326 -9.8092 -9.8092 -9.0555 -9.0555 -7.5514 -7.5514 -7.0487 -7.0487 1.7029 1.7029 2.0316 2.0316 2.2724 2.2724 2.4374 2.4374 2.8727 2.8727 3.0343 3.0343 3.2172 3.2172 5.1359 5.1359 5.2955 5.2955 9.8024 9.8024 10.1955 10.1955 10.6076 10.6076 10.8263 10.8263 k = 0.6285-0.4399-1.2235 ( 5223 PWs) bands (ev): -27.9932 -27.9932 -27.9930 -27.9930 -11.1221 -11.1221 -10.9613 -10.9613 -10.2470 -10.2470 -10.0065 -10.0065 -9.9250 -9.9250 -9.8057 -9.8057 -9.0588 -9.0588 -7.5522 -7.5522 -7.0509 -7.0509 1.6840 1.6840 2.0486 2.0486 2.2662 2.2662 2.4482 2.4482 2.8607 2.8607 3.0525 3.0525 3.2185 3.2185 5.1183 5.1183 5.3094 5.3094 9.7986 9.7986 10.1931 10.1931 10.6143 10.6143 10.8237 10.8237 k = 0.6221-0.4121-1.2235 ( 5216 PWs) bands (ev): -27.9934 -27.9934 -27.9931 -27.9931 -11.1208 -11.1208 -10.9640 -10.9640 -10.2429 -10.2429 -10.0123 -10.0123 -9.9170 -9.9170 -9.8017 -9.8017 -9.0628 -9.0628 -7.5529 -7.5529 -7.0534 -7.0534 1.6636 1.6636 2.0655 2.0655 2.2596 2.2596 2.4611 2.4611 2.8498 2.8498 3.0713 3.0713 3.2199 3.2199 5.1006 5.1006 5.3227 5.3227 9.7963 9.7963 10.1882 10.1882 10.6052 10.6052 10.8291 10.8291 k = 0.6156-0.3844-1.2235 ( 5216 PWs) bands (ev): -27.9935 -27.9935 -27.9932 -27.9932 -11.1195 -11.1195 -10.9671 -10.9671 -10.2384 -10.2384 -10.0180 -10.0180 -9.9086 -9.9086 -9.7973 -9.7973 -9.0674 -9.0674 -7.5537 -7.5537 -7.0563 -7.0563 1.6425 1.6425 2.0814 2.0814 2.2525 2.2525 2.4761 2.4761 2.8400 2.8400 3.0907 3.0907 3.2212 3.2212 5.0830 5.0830 5.3352 5.3352 9.7951 9.7951 10.1808 10.1808 10.5821 10.5821 10.8409 10.8409 k = 0.6092-0.3566-1.2235 ( 5226 PWs) bands (ev): -27.9937 -27.9937 -27.9934 -27.9934 -11.1180 -11.1180 -10.9706 -10.9706 -10.2335 -10.2335 -10.0236 -10.0236 -9.8997 -9.8997 -9.7926 -9.7926 -9.0727 -9.0727 -7.5545 -7.5545 -7.0595 -7.0595 1.6212 1.6212 2.0954 2.0954 2.2451 2.2451 2.4933 2.4933 2.8315 2.8315 3.1105 3.1105 3.2226 3.2226 5.0656 5.0656 5.3470 5.3470 9.7941 9.7941 10.1712 10.1712 10.5490 10.5490 10.8418 10.8418 k = 0.6028-0.3288-1.2235 ( 5224 PWs) bands (ev): -27.9939 -27.9939 -27.9935 -27.9935 -11.1165 -11.1165 -10.9744 -10.9744 -10.2285 -10.2285 -10.0290 -10.0290 -9.8904 -9.8904 -9.7875 -9.7875 -9.0786 -9.0786 -7.5552 -7.5552 -7.0629 -7.0629 1.6000 1.6000 2.1072 2.1072 2.2374 2.2374 2.5126 2.5126 2.8244 2.8244 3.1307 3.1307 3.2241 3.2241 5.0485 5.0485 5.3579 5.3579 9.7924 9.7924 10.1596 10.1596 10.5101 10.5101 10.8360 10.8360 k = 0.5964-0.3010-1.2235 ( 5226 PWs) bands (ev): -27.9940 -27.9940 -27.9936 -27.9936 -11.1148 -11.1148 -10.9785 -10.9785 -10.2234 -10.2234 -10.0343 -10.0343 -9.8806 -9.8806 -9.7822 -9.7822 -9.0851 -9.0851 -7.5558 -7.5558 -7.0664 -7.0664 1.5793 1.5793 2.1166 2.1166 2.2294 2.2294 2.5336 2.5336 2.8187 2.8187 3.1511 3.1511 3.2256 3.2256 5.0318 5.0318 5.3679 5.3679 9.7888 9.7888 10.1462 10.1462 10.4689 10.4689 10.8355 10.8355 k = 0.5899-0.2732-1.2235 ( 5228 PWs) bands (ev): -27.9942 -27.9942 -27.9938 -27.9938 -11.1130 -11.1130 -10.9828 -10.9828 -10.2183 -10.2183 -10.0394 -10.0394 -9.8704 -9.8704 -9.7767 -9.7767 -9.0922 -9.0922 -7.5564 -7.5564 -7.0702 -7.0702 1.5592 1.5592 2.1236 2.1236 2.2213 2.2213 2.5559 2.5559 2.8144 2.8144 3.1715 3.1715 3.2273 3.2273 5.0158 5.0158 5.3771 5.3771 9.7820 9.7820 10.1315 10.1315 10.4285 10.4285 10.8400 10.8400 k = 0.5835-0.2455-1.2235 ( 5222 PWs) bands (ev): -27.9944 -27.9944 -27.9939 -27.9939 -11.1111 -11.1111 -10.9873 -10.9873 -10.2132 -10.2132 -10.0443 -10.0443 -9.8598 -9.8598 -9.7713 -9.7713 -9.0997 -9.0997 -7.5568 -7.5568 -7.0740 -7.0740 1.5399 1.5399 2.1285 2.1285 2.2132 2.2132 2.5788 2.5788 2.8116 2.8116 3.1912 3.1912 3.2296 3.2296 5.0004 5.0004 5.3853 5.3853 9.7708 9.7708 10.1158 10.1158 10.3917 10.3917 10.8493 10.8493 k = 0.5771-0.2177-1.2235 ( 5234 PWs) bands (ev): -27.9946 -27.9946 -27.9941 -27.9941 -11.1092 -11.1092 -10.9919 -10.9919 -10.2083 -10.2083 -10.0489 -10.0489 -9.8490 -9.8490 -9.7658 -9.7658 -9.1076 -9.1076 -7.5572 -7.5572 -7.0778 -7.0778 1.5216 1.5216 2.1315 2.1315 2.2051 2.2051 2.6015 2.6015 2.8103 2.8103 3.2087 3.2087 3.2340 3.2340 4.9857 4.9857 5.3926 5.3926 9.7540 9.7540 10.0997 10.0997 10.3606 10.3606 10.8626 10.8626 k = 0.5707-0.1899-1.2235 ( 5230 PWs) bands (ev): -27.9947 -27.9947 -27.9942 -27.9942 -11.1072 -11.1072 -10.9965 -10.9965 -10.2036 -10.2036 -10.0534 -10.0534 -9.8379 -9.8379 -9.7606 -9.7606 -9.1158 -9.1158 -7.5575 -7.5575 -7.0816 -7.0816 1.5044 1.5044 2.1330 2.1330 2.1972 2.1972 2.6234 2.6234 2.8106 2.8106 3.2199 3.2199 3.2445 3.2445 4.9719 4.9719 5.3991 5.3991 9.7314 9.7314 10.0835 10.0835 10.3368 10.3368 10.8796 10.8796 k = 0.5642-0.1621-1.2235 ( 5236 PWs) bands (ev): -27.9949 -27.9949 -27.9944 -27.9944 -11.1051 -11.1051 -11.0011 -11.0011 -10.1992 -10.1992 -10.0575 -10.0575 -9.8267 -9.8267 -9.7555 -9.7555 -9.1241 -9.1241 -7.5577 -7.5577 -7.0854 -7.0854 1.4883 1.4883 2.1333 2.1333 2.1896 2.1896 2.6437 2.6437 2.8125 2.8125 3.2244 3.2244 3.2611 3.2611 4.9590 4.9590 5.4048 5.4048 9.7033 9.7033 10.0676 10.0676 10.3205 10.3205 10.8994 10.8994 k = 0.5578-0.1344-1.2235 ( 5240 PWs) bands (ev): -27.9950 -27.9950 -27.9945 -27.9945 -11.1030 -11.1030 -11.0057 -11.0057 -10.1951 -10.1951 -10.0614 -10.0614 -9.8155 -9.8155 -9.7508 -9.7508 -9.1325 -9.1325 -7.5579 -7.5579 -7.0890 -7.0890 1.4736 1.4736 2.1328 2.1328 2.1823 2.1823 2.6619 2.6619 2.8161 2.8161 3.2265 3.2265 3.2793 3.2793 4.9471 4.9471 5.4096 5.4096 9.6709 9.6709 10.0524 10.0524 10.3113 10.3113 10.9213 10.9213 k = 0.5514-0.1066-1.2235 ( 5244 PWs) bands (ev): -27.9952 -27.9952 -27.9946 -27.9946 -11.1009 -11.1009 -11.0101 -11.0101 -10.1913 -10.1913 -10.0649 -10.0649 -9.8046 -9.8046 -9.7465 -9.7465 -9.1407 -9.1407 -7.5579 -7.5579 -7.0924 -7.0924 1.4602 1.4602 2.1317 2.1317 2.1755 2.1755 2.6775 2.6775 2.8211 2.8211 3.2279 3.2279 3.2974 3.2974 4.9363 4.9363 5.4138 5.4138 9.6361 9.6361 10.0381 10.0381 10.3079 10.3079 10.9444 10.9444 k = 0.5450-0.0788-1.2235 ( 5240 PWs) bands (ev): -27.9953 -27.9953 -27.9947 -27.9947 -11.0988 -11.0988 -11.0144 -11.0144 -10.1879 -10.1879 -10.0681 -10.0681 -9.7940 -9.7940 -9.7427 -9.7427 -9.1485 -9.1485 -7.5579 -7.5579 -7.0956 -7.0956 1.4482 1.4482 2.1302 2.1302 2.1693 2.1693 2.6905 2.6905 2.8274 2.8274 3.2288 3.2288 3.3145 3.3145 4.9266 4.9266 5.4172 5.4172 9.6007 9.6007 10.0250 10.0250 10.3089 10.3089 10.9616 10.9616 k = 0.5385-0.0510-1.2235 ( 5244 PWs) bands (ev): -27.9954 -27.9954 -27.9948 -27.9948 -11.0968 -11.0968 -11.0184 -11.0184 -10.1849 -10.1849 -10.0710 -10.0710 -9.7841 -9.7841 -9.7395 -9.7395 -9.1559 -9.1559 -7.5579 -7.5579 -7.0985 -7.0985 1.4377 1.4377 2.1285 2.1285 2.1637 2.1637 2.7008 2.7008 2.8344 2.8344 3.2295 3.2295 3.3302 3.3302 4.9181 4.9181 5.4201 5.4201 9.5666 9.5666 10.0133 10.0133 10.3127 10.3127 10.9657 10.9657 k = 0.5321-0.0232-1.2235 ( 5242 PWs) bands (ev): -27.9955 -27.9955 -27.9949 -27.9949 -11.0948 -11.0948 -11.0220 -11.0220 -10.1824 -10.1824 -10.0735 -10.0735 -9.7748 -9.7748 -9.7369 -9.7369 -9.1626 -9.1626 -7.5579 -7.5579 -7.1010 -7.1010 1.4287 1.4287 2.1269 2.1269 2.1588 2.1588 2.7087 2.7087 2.8416 2.8416 3.2301 3.2301 3.3442 3.3442 4.9108 4.9108 5.4224 5.4224 9.5352 9.5352 10.0031 10.0031 10.3181 10.3181 10.9685 10.9685 k = 0.5257 0.0045-1.2235 ( 5232 PWs) bands (ev): -27.9956 -27.9956 -27.9950 -27.9950 -11.0931 -11.0931 -11.0252 -11.0252 -10.1802 -10.1802 -10.0756 -10.0756 -9.7666 -9.7666 -9.7351 -9.7351 -9.1683 -9.1683 -7.5578 -7.5578 -7.1031 -7.1031 1.4213 1.4213 2.1254 2.1254 2.1547 2.1547 2.7146 2.7146 2.8484 2.8484 3.2305 3.2305 3.3561 3.3561 4.9048 4.9048 5.4242 5.4242 9.5080 9.5080 9.9947 9.9947 10.3238 10.3238 10.9705 10.9705 k = 0.5193 0.0323-1.2235 ( 5228 PWs) bands (ev): -27.9956 -27.9956 -27.9950 -27.9950 -11.0915 -11.0915 -11.0278 -11.0278 -10.1785 -10.1785 -10.0772 -10.0772 -9.7595 -9.7595 -9.7340 -9.7340 -9.1730 -9.1730 -7.5578 -7.5578 -7.1048 -7.1048 1.4155 1.4155 2.1241 2.1241 2.1514 2.1514 2.7188 2.7188 2.8542 2.8542 3.2309 3.2309 3.3657 3.3657 4.9000 4.9000 5.4256 5.4256 9.4858 9.4858 9.9880 9.9880 10.3292 10.3292 10.9720 10.9720 k = 0.5128 0.0601-1.2235 ( 5226 PWs) bands (ev): -27.9957 -27.9957 -27.9951 -27.9951 -11.0904 -11.0904 -11.0298 -11.0298 -10.1773 -10.1773 -10.0784 -10.0784 -9.7539 -9.7539 -9.7337 -9.7337 -9.1765 -9.1765 -7.5577 -7.5577 -7.1060 -7.1060 1.4114 1.4114 2.1232 2.1232 2.1491 2.1491 2.7216 2.7216 2.8586 2.8586 3.2311 3.2311 3.3728 3.3728 4.8966 4.8966 5.4265 5.4265 9.4695 9.4695 9.9831 9.9831 10.3335 10.3335 10.9729 10.9729 k = 0.5064 0.0879-1.2235 ( 5222 PWs) bands (ev): -27.9957 -27.9957 -27.9951 -27.9951 -11.0896 -11.0896 -11.0310 -11.0310 -10.1766 -10.1766 -10.0791 -10.0791 -9.7502 -9.7502 -9.7338 -9.7338 -9.1787 -9.1787 -7.5577 -7.5577 -7.1068 -7.1068 1.4089 1.4089 2.1226 2.1226 2.1477 2.1477 2.7233 2.7233 2.8614 2.8614 3.2312 3.2312 3.3771 3.3771 4.8946 4.8946 5.4270 5.4270 9.4595 9.4595 9.9802 9.9802 10.3362 10.3362 10.9734 10.9734 k = 0.5000 0.1156-1.2235 ( 5218 PWs) bands (ev): -27.9957 -27.9957 -27.9951 -27.9951 -11.0894 -11.0894 -11.0314 -11.0314 -10.1763 -10.1763 -10.0794 -10.0794 -9.7488 -9.7488 -9.7340 -9.7340 -9.1794 -9.1794 -7.5577 -7.5577 -7.1070 -7.1070 1.4081 1.4081 2.1224 2.1224 2.1472 2.1472 2.7238 2.7238 2.8624 2.8624 3.2313 3.2313 3.3785 3.3785 4.8939 4.8939 5.4272 5.4272 9.4561 9.4561 9.9792 9.9792 10.3372 10.3372 10.9736 10.9736 k = 0.5000 0.1156-1.2235 ( 5218 PWs) bands (ev): -27.9957 -27.9957 -27.9951 -27.9951 -11.0894 -11.0894 -11.0314 -11.0314 -10.1763 -10.1763 -10.0794 -10.0794 -9.7488 -9.7488 -9.7340 -9.7340 -9.1794 -9.1794 -7.5577 -7.5577 -7.1070 -7.1070 1.4081 1.4081 2.1224 2.1224 2.1472 2.1472 2.7238 2.7238 2.8624 2.8624 3.2313 3.2313 3.3785 3.3785 4.8939 4.8939 5.4272 5.4272 9.4561 9.4561 9.9792 9.9792 10.3372 10.3372 10.9736 10.9736 k = 0.5229 0.1209-1.2136 ( 5228 PWs) bands (ev): -27.9957 -27.9957 -27.9951 -27.9951 -11.0893 -11.0893 -11.0315 -11.0315 -10.1763 -10.1763 -10.0795 -10.0795 -9.7488 -9.7488 -9.7340 -9.7340 -9.1792 -9.1792 -7.5579 -7.5579 -7.1069 -7.1069 1.4082 1.4082 2.1221 2.1221 2.1480 2.1480 2.7234 2.7234 2.8621 2.8621 3.2309 3.2309 3.3784 3.3784 4.8945 4.8945 5.4272 5.4272 9.4562 9.4562 9.9784 9.9784 10.3384 10.3384 10.9571 10.9571 k = 0.5459 0.1263-1.2038 ( 5231 PWs) bands (ev): -27.9957 -27.9957 -27.9951 -27.9951 -11.0890 -11.0890 -11.0316 -11.0316 -10.1760 -10.1760 -10.0800 -10.0800 -9.7487 -9.7487 -9.7342 -9.7342 -9.1787 -9.1787 -7.5586 -7.5586 -7.1065 -7.1065 1.4087 1.4087 2.1216 2.1216 2.1504 2.1504 2.7222 2.7222 2.8612 2.8612 3.2298 3.2298 3.3779 3.3779 4.8962 4.8962 5.4273 5.4273 9.4565 9.4565 9.9758 9.9758 10.3422 10.3422 10.9220 10.9220 k = 0.5688 0.1316-1.1939 ( 5232 PWs) bands (ev): -27.9957 -27.9957 -27.9951 -27.9951 -11.0886 -11.0886 -11.0319 -11.0319 -10.1757 -10.1757 -10.0807 -10.0807 -9.7485 -9.7485 -9.7344 -9.7344 -9.1778 -9.1778 -7.5598 -7.5598 -7.1059 -7.1059 1.4094 1.4094 2.1208 2.1208 2.1541 2.1541 2.7201 2.7201 2.8598 2.8598 3.2280 3.2280 3.3771 3.3771 4.8991 4.8991 5.4273 5.4273 9.4570 9.4570 9.9717 9.9717 10.3483 10.3483 10.8809 10.8809 k = 0.5918 0.1369-1.1840 ( 5236 PWs) bands (ev): -27.9957 -27.9957 -27.9952 -27.9952 -11.0880 -11.0880 -11.0322 -11.0322 -10.1751 -10.1751 -10.0817 -10.0817 -9.7484 -9.7484 -9.7348 -9.7348 -9.1766 -9.1766 -7.5613 -7.5613 -7.1050 -7.1050 1.4105 1.4105 2.1201 2.1201 2.1590 2.1590 2.7171 2.7171 2.8579 2.8579 3.2256 3.2256 3.3761 3.3761 4.9031 4.9031 5.4274 5.4274 9.4575 9.4575 9.9662 9.9662 10.3564 10.3564 10.8379 10.8379 k = 0.6147 0.1422-1.1741 ( 5242 PWs) bands (ev): -27.9957 -27.9957 -27.9952 -27.9952 -11.0872 -11.0872 -11.0327 -11.0327 -10.1745 -10.1745 -10.0829 -10.0829 -9.7481 -9.7481 -9.7352 -9.7352 -9.1752 -9.1752 -7.5633 -7.5633 -7.1040 -7.1040 1.4117 1.4117 2.1194 2.1194 2.1651 2.1651 2.7131 2.7131 2.8558 2.8558 3.2226 3.2226 3.3747 3.3747 4.9080 4.9080 5.4275 5.4275 9.4582 9.4582 9.9596 9.9596 10.3661 10.3661 10.7948 10.7948 k = 0.6377 0.1475-1.1642 ( 5249 PWs) bands (ev): -27.9957 -27.9957 -27.9952 -27.9952 -11.0863 -11.0863 -11.0332 -11.0332 -10.1736 -10.1736 -10.0844 -10.0844 -9.7478 -9.7478 -9.7358 -9.7358 -9.1734 -9.1734 -7.5656 -7.5656 -7.1028 -7.1028 1.4132 1.4132 2.1189 2.1189 2.1721 2.1721 2.7080 2.7080 2.8536 2.8536 3.2190 3.2190 3.3731 3.3731 4.9138 4.9138 5.4276 5.4276 9.4588 9.4588 9.9520 9.9520 10.3770 10.3770 10.7525 10.7525 k = 0.6606 0.1528-1.1544 ( 5243 PWs) bands (ev): -27.9957 -27.9957 -27.9953 -27.9953 -11.0852 -11.0852 -11.0338 -11.0338 -10.1727 -10.1727 -10.0861 -10.0861 -9.7475 -9.7475 -9.7364 -9.7364 -9.1715 -9.1715 -7.5682 -7.5682 -7.1014 -7.1014 1.4149 1.4149 2.1185 2.1185 2.1801 2.1801 2.7018 2.7018 2.8514 2.8514 3.2150 3.2150 3.3713 3.3713 4.9205 4.9205 5.4277 5.4277 9.4594 9.4594 9.9437 9.9437 10.3886 10.3886 10.7118 10.7118 k = 0.6606 0.1528-1.1544 ( 5243 PWs) bands (ev): -27.9957 -27.9957 -27.9953 -27.9953 -11.0852 -11.0852 -11.0338 -11.0338 -10.1727 -10.1727 -10.0861 -10.0861 -9.7475 -9.7475 -9.7364 -9.7364 -9.1715 -9.1715 -7.5682 -7.5682 -7.1014 -7.1014 1.4149 1.4149 2.1185 2.1185 2.1801 2.1801 2.7018 2.7018 2.8514 2.8514 3.2150 3.2150 3.3713 3.3713 4.9205 4.9205 5.4277 5.4277 9.4594 9.4594 9.9437 9.9437 10.3886 10.3886 10.7118 10.7118 k = 0.6569 0.1519-1.1259 ( 5242 PWs) bands (ev): -27.9958 -27.9958 -27.9954 -27.9954 -11.0846 -11.0846 -11.0323 -11.0323 -10.1728 -10.1728 -10.0850 -10.0850 -9.7477 -9.7477 -9.7368 -9.7368 -9.1697 -9.1697 -7.5698 -7.5698 -7.1028 -7.1028 1.4226 1.4226 2.1044 2.1044 2.1839 2.1839 2.7066 2.7066 2.8549 2.8549 3.2159 3.2159 3.3729 3.3729 4.9158 4.9158 5.4245 5.4245 9.4625 9.4625 9.9409 9.9409 10.4093 10.4093 10.6891 10.6891 k = 0.6531 0.1511-1.0975 ( 5238 PWs) bands (ev): -27.9960 -27.9960 -27.9956 -27.9956 -11.0835 -11.0835 -11.0301 -11.0301 -10.1728 -10.1728 -10.0835 -10.0835 -9.7489 -9.7489 -9.7368 -9.7368 -9.1670 -9.1670 -7.5722 -7.5722 -7.1047 -7.1047 1.4333 1.4333 2.0874 2.0874 2.1884 2.1884 2.7128 2.7128 2.8598 2.8598 3.2162 3.2162 3.3742 3.3742 4.9110 4.9110 5.4204 5.4204 9.4660 9.4660 9.9328 9.9328 10.4283 10.4283 10.6724 10.6724 k = 0.6494 0.1502-1.0690 ( 5231 PWs) bands (ev): -27.9962 -27.9962 -27.9958 -27.9958 -11.0821 -11.0821 -11.0273 -11.0273 -10.1726 -10.1726 -10.0817 -10.0817 -9.7508 -9.7508 -9.7364 -9.7364 -9.1634 -9.1634 -7.5754 -7.5754 -7.1073 -7.1073 1.4468 1.4468 2.0686 2.0686 2.1927 2.1927 2.7201 2.7201 2.8661 2.8661 3.2156 3.2156 3.3751 3.3751 4.9063 4.9063 5.4153 5.4153 9.4699 9.4699 9.9192 9.9192 10.4447 10.4447 10.6631 10.6631 k = 0.6457 0.1493-1.0405 ( 5227 PWs) bands (ev): -27.9964 -27.9964 -27.9961 -27.9961 -11.0803 -11.0803 -11.0240 -11.0240 -10.1724 -10.1724 -10.0796 -10.0796 -9.7531 -9.7531 -9.7357 -9.7357 -9.1592 -9.1592 -7.5793 -7.5793 -7.1105 -7.1105 1.4631 1.4631 2.0486 2.0486 2.1965 2.1965 2.7285 2.7285 2.8741 2.8741 3.2143 3.2143 3.3756 3.3756 4.9014 4.9014 5.4093 5.4093 9.4741 9.4741 9.9000 9.9000 10.4582 10.4582 10.6620 10.6620 k = 0.6419 0.1485-1.0121 ( 5226 PWs) bands (ev): -27.9967 -27.9967 -27.9964 -27.9964 -11.0782 -11.0782 -11.0201 -11.0201 -10.1719 -10.1719 -10.0771 -10.0771 -9.7558 -9.7558 -9.7349 -9.7349 -9.1542 -9.1542 -7.5840 -7.5840 -7.1143 -7.1143 1.4820 1.4820 2.0276 2.0276 2.1997 2.1997 2.7377 2.7377 2.8836 2.8836 3.2123 3.2123 3.3758 3.3758 4.8965 4.8965 5.4025 5.4025 9.4786 9.4786 9.8757 9.8757 10.4689 10.4689 10.6688 10.6688 k = 0.6382 0.1476-0.9836 ( 5225 PWs) bands (ev): -27.9971 -27.9971 -27.9968 -27.9968 -11.0757 -11.0757 -11.0157 -11.0157 -10.1713 -10.1713 -10.0743 -10.0743 -9.7586 -9.7586 -9.7339 -9.7339 -9.1487 -9.1487 -7.5894 -7.5894 -7.1187 -7.1187 1.5034 1.5034 2.0059 2.0059 2.2023 2.2023 2.7476 2.7476 2.8948 2.8948 3.2095 3.2095 3.3756 3.3756 4.8916 4.8916 5.3948 5.3948 9.4834 9.4834 9.8468 9.8468 10.4778 10.4778 10.6821 10.6821 k = 0.6345 0.1467-0.9552 ( 5225 PWs) bands (ev): -27.9975 -27.9975 -27.9972 -27.9972 -11.0730 -11.0730 -11.0109 -11.0109 -10.1704 -10.1704 -10.0712 -10.0712 -9.7614 -9.7614 -9.7329 -9.7329 -9.1428 -9.1428 -7.5955 -7.5955 -7.1237 -7.1237 1.5271 1.5271 1.9837 1.9837 2.2045 2.2045 2.7580 2.7580 2.9075 2.9075 3.2060 3.2060 3.3750 3.3750 4.8867 4.8867 5.3864 5.3864 9.4883 9.4883 9.8142 9.8142 10.4859 10.4859 10.6999 10.6999 k = 0.6307 0.1459-0.9267 ( 5227 PWs) bands (ev): -27.9979 -27.9979 -27.9977 -27.9977 -11.0699 -11.0699 -11.0057 -11.0057 -10.1693 -10.1693 -10.0679 -10.0679 -9.7642 -9.7642 -9.7318 -9.7318 -9.1365 -9.1365 -7.6023 -7.6023 -7.1293 -7.1293 1.5528 1.5528 1.9612 1.9612 2.2064 2.2064 2.7688 2.7688 2.9218 2.9218 3.2019 3.2019 3.3741 3.3741 4.8819 4.8819 5.3773 5.3773 9.4932 9.4932 9.7790 9.7790 10.4941 10.4941 10.7205 10.7205 k = 0.6270 0.1450-0.8983 ( 5224 PWs) bands (ev): -27.9984 -27.9984 -27.9982 -27.9982 -11.0665 -11.0665 -11.0002 -11.0002 -10.1678 -10.1678 -10.0643 -10.0643 -9.7668 -9.7668 -9.7305 -9.7305 -9.1300 -9.1300 -7.6097 -7.6097 -7.1354 -7.1354 1.5802 1.5802 1.9388 1.9388 2.2083 2.2083 2.7798 2.7798 2.9374 2.9374 3.1972 3.1972 3.3728 3.3728 4.8771 4.8771 5.3675 5.3675 9.4977 9.4977 9.7421 9.7421 10.5030 10.5030 10.7420 10.7420 k = 0.6233 0.1442-0.8698 ( 5218 PWs) bands (ev): -27.9989 -27.9989 -27.9987 -27.9987 -11.0628 -11.0628 -10.9944 -10.9944 -10.1660 -10.1660 -10.0605 -10.0605 -9.7691 -9.7691 -9.7291 -9.7291 -9.1234 -9.1234 -7.6177 -7.6177 -7.1421 -7.1421 1.6086 1.6086 1.9170 1.9170 2.2103 2.2103 2.7909 2.7909 2.9540 2.9540 3.1920 3.1920 3.3711 3.3711 4.8725 4.8725 5.3571 5.3571 9.5012 9.5012 9.7047 9.7047 10.5128 10.5128 10.7630 10.7630 k = 0.6195 0.1433-0.8414 ( 5221 PWs) bands (ev): -27.9995 -27.9995 -27.9993 -27.9993 -11.0589 -11.0589 -10.9884 -10.9884 -10.1639 -10.1639 -10.0565 -10.0565 -9.7710 -9.7710 -9.7276 -9.7276 -9.1168 -9.1168 -7.6263 -7.6263 -7.1493 -7.1493 1.6372 1.6372 1.8967 1.8967 2.2127 2.2127 2.8022 2.8022 2.9715 2.9715 3.1866 3.1866 3.3691 3.3691 4.8682 4.8682 5.3462 5.3462 9.5025 9.5025 9.6688 9.6688 10.5234 10.5234 10.7821 10.7821 k = 0.6158 0.1424-0.8129 ( 5224 PWs) bands (ev): -28.0001 -28.0001 -27.9999 -27.9999 -11.0548 -11.0548 -10.9824 -10.9824 -10.1614 -10.1614 -10.0524 -10.0524 -9.7725 -9.7725 -9.7259 -9.7259 -9.1103 -9.1103 -7.6355 -7.6355 -7.1571 -7.1571 1.6642 1.6642 1.8795 1.8795 2.2157 2.2157 2.8135 2.8135 2.9895 2.9895 3.1810 3.1810 3.3668 3.3668 4.8642 4.8642 5.3348 5.3348 9.4992 9.4992 9.6370 9.6370 10.5347 10.5347 10.7979 10.7979 k = 0.6121 0.1416-0.7845 ( 5224 PWs) bands (ev): -28.0007 -28.0007 -28.0005 -28.0005 -11.0505 -11.0505 -10.9763 -10.9763 -10.1584 -10.1584 -10.0481 -10.0481 -9.7734 -9.7734 -9.7240 -9.7240 -9.1040 -9.1040 -7.6451 -7.6451 -7.1653 -7.1653 1.6865 1.6865 1.8684 1.8684 2.2194 2.2194 2.8249 2.8249 3.0075 3.0075 3.1755 3.1755 3.3642 3.3642 4.8607 4.8607 5.3229 5.3229 9.4874 9.4874 9.6136 9.6136 10.5464 10.5464 10.8095 10.8095 k = 0.6083 0.1407-0.7560 ( 5227 PWs) bands (ev): -28.0014 -28.0014 -28.0012 -28.0012 -11.0460 -11.0460 -10.9702 -10.9702 -10.1550 -10.1550 -10.0437 -10.0437 -9.7737 -9.7737 -9.7219 -9.7219 -9.0980 -9.0980 -7.6553 -7.6553 -7.1740 -7.1740 1.6994 1.6994 1.8679 1.8679 2.2240 2.2240 2.8362 2.8362 3.0251 3.0251 3.1706 3.1706 3.3612 3.3612 4.8578 4.8578 5.3108 5.3108 9.4645 9.4645 9.6014 9.6014 10.5582 10.5582 10.8156 10.8156 k = 0.6046 0.1398-0.7276 ( 5219 PWs) bands (ev): -28.0021 -28.0021 -28.0019 -28.0019 -11.0415 -11.0415 -10.9642 -10.9642 -10.1512 -10.1512 -10.0391 -10.0391 -9.7734 -9.7734 -9.7195 -9.7195 -9.0923 -9.0923 -7.6659 -7.6659 -7.1831 -7.1831 1.6998 1.6998 1.8809 1.8809 2.2298 2.2298 2.8475 2.8475 3.0414 3.0414 3.1667 3.1667 3.3580 3.3580 4.8554 4.8554 5.2984 5.2984 9.4324 9.4324 9.5987 9.5987 10.5698 10.5698 10.8155 10.8155 k = 0.6009 0.1390-0.6991 ( 5222 PWs) bands (ev): -28.0028 -28.0028 -28.0026 -28.0026 -11.0368 -11.0368 -10.9583 -10.9583 -10.1468 -10.1468 -10.0345 -10.0345 -9.7724 -9.7724 -9.7169 -9.7169 -9.0872 -9.0872 -7.6769 -7.6769 -7.1926 -7.1926 1.6892 1.6892 1.9058 1.9058 2.2370 2.2370 2.8587 2.8587 3.0556 3.0556 3.1647 3.1647 3.3545 3.3545 4.8539 4.8539 5.2858 5.2858 9.3950 9.3950 9.6017 9.6017 10.5809 10.5809 10.8087 10.8087 k = 0.5971 0.1381-0.6706 ( 5220 PWs) bands (ev): -28.0035 -28.0035 -28.0033 -28.0033 -11.0321 -11.0321 -10.9527 -10.9527 -10.1420 -10.1420 -10.0297 -10.0297 -9.7706 -9.7706 -9.7140 -9.7140 -9.0826 -9.0826 -7.6883 -7.6883 -7.2024 -7.2024 1.6719 1.6719 1.9379 1.9379 2.2458 2.2458 2.8697 2.8697 3.0667 3.0667 3.1657 3.1657 3.3508 3.3508 4.8532 4.8532 5.2730 5.2730 9.3550 9.3550 9.6077 9.6077 10.5910 10.5910 10.7947 10.7947 k = 0.5934 0.1372-0.6422 ( 5221 PWs) bands (ev): -28.0042 -28.0042 -28.0041 -28.0041 -11.0274 -11.0274 -10.9473 -10.9473 -10.1368 -10.1368 -10.0248 -10.0248 -9.7681 -9.7681 -9.7108 -9.7108 -9.0786 -9.0786 -7.7001 -7.7001 -7.2125 -7.2125 1.6508 1.6508 1.9741 1.9741 2.2564 2.2564 2.8804 2.8804 3.0738 3.0738 3.1703 3.1703 3.3468 3.3468 4.8533 4.8533 5.2602 5.2602 9.3136 9.3136 9.6154 9.6154 10.5999 10.5999 10.7736 10.7736 k = 0.5896 0.1364-0.6137 ( 5215 PWs) bands (ev): -28.0050 -28.0050 -28.0048 -28.0048 -11.0226 -11.0226 -10.9423 -10.9423 -10.1311 -10.1311 -10.0198 -10.0198 -9.7648 -9.7648 -9.7073 -9.7073 -9.0753 -9.0753 -7.7121 -7.7121 -7.2229 -7.2229 1.6278 1.6278 2.0120 2.0120 2.2692 2.2692 2.8906 2.8906 3.0771 3.0771 3.1785 3.1785 3.3427 3.3427 4.8545 4.8545 5.2475 5.2475 9.2717 9.2717 9.6238 9.6238 10.6074 10.6074 10.7456 10.7456 k = 0.5859 0.1355-0.5853 ( 5209 PWs) bands (ev): -28.0057 -28.0057 -28.0056 -28.0056 -11.0180 -11.0180 -10.9375 -10.9375 -10.1251 -10.1251 -10.0147 -10.0147 -9.7608 -9.7608 -9.7034 -9.7034 -9.0728 -9.0728 -7.7244 -7.7244 -7.2334 -7.2334 1.6038 1.6038 2.0502 2.0502 2.2846 2.2846 2.9000 2.9000 3.0777 3.0777 3.1892 3.1892 3.3384 3.3384 4.8568 4.8568 5.2348 5.2348 9.2297 9.2297 9.6322 9.6322 10.6130 10.6130 10.7115 10.7115 k = 0.5822 0.1346-0.5568 ( 5211 PWs) bands (ev): -28.0065 -28.0065 -28.0063 -28.0063 -11.0134 -11.0134 -10.9332 -10.9332 -10.1187 -10.1187 -10.0094 -10.0094 -9.7560 -9.7560 -9.6991 -9.6991 -9.0710 -9.0710 -7.7369 -7.7369 -7.2441 -7.2441 1.5793 1.5793 2.0877 2.0877 2.3028 2.3028 2.9085 2.9085 3.0771 3.0771 3.2011 3.2011 3.3340 3.3340 4.8602 4.8602 5.2222 5.2222 9.1879 9.1879 9.6400 9.6400 10.6160 10.6160 10.6730 10.6730 k = 0.5784 0.1338-0.5284 ( 5207 PWs) bands (ev): -28.0072 -28.0072 -28.0071 -28.0071 -11.0089 -11.0089 -10.9293 -10.9293 -10.1122 -10.1122 -10.0040 -10.0040 -9.7505 -9.7505 -9.6944 -9.6944 -9.0700 -9.0700 -7.7496 -7.7496 -7.2549 -7.2549 1.5548 1.5548 2.1236 2.1236 2.3242 2.3242 2.9158 2.9158 3.0765 3.0765 3.2133 3.2133 3.3296 3.3296 4.8647 4.8647 5.2099 5.2099 9.1465 9.1465 9.6464 9.6464 10.6103 10.6103 10.6374 10.6374 k = 0.5747 0.1329-0.4999 ( 5209 PWs) bands (ev): -28.0080 -28.0080 -28.0078 -28.0078 -11.0045 -11.0045 -10.9257 -10.9257 -10.1055 -10.1055 -9.9983 -9.9983 -9.7444 -9.7444 -9.6893 -9.6893 -9.0700 -9.0700 -7.7623 -7.7623 -7.2657 -7.2657 1.5304 1.5304 2.1572 2.1572 2.3489 2.3489 2.9216 2.9216 3.0767 3.0767 3.2250 3.2250 3.3252 3.3252 4.8704 4.8704 5.1979 5.1979 9.1056 9.1056 9.6505 9.6505 10.5759 10.5759 10.6269 10.6269 k = 0.5710 0.1321-0.4715 ( 5207 PWs) bands (ev): -28.0087 -28.0087 -28.0086 -28.0086 -11.0003 -11.0003 -10.9226 -10.9226 -10.0988 -10.0988 -9.9924 -9.9924 -9.7376 -9.7376 -9.6837 -9.6837 -9.0707 -9.0707 -7.7751 -7.7751 -7.2765 -7.2765 1.5064 1.5064 2.1881 2.1881 2.3769 2.3769 2.9257 2.9257 3.0785 3.0785 3.2356 3.2356 3.3209 3.3209 4.8773 4.8773 5.1862 5.1862 9.0656 9.0656 9.6513 9.6513 10.5320 10.5320 10.6244 10.6244 k = 0.5672 0.1312-0.4430 ( 5216 PWs) bands (ev): -28.0095 -28.0095 -28.0093 -28.0093 -10.9963 -10.9963 -10.9198 -10.9198 -10.0922 -10.0922 -9.9862 -9.9862 -9.7302 -9.7302 -9.6778 -9.6778 -9.0724 -9.0724 -7.7880 -7.7880 -7.2872 -7.2872 1.4829 1.4829 2.2166 2.2166 2.4075 2.4075 2.9282 2.9282 3.0821 3.0821 3.2449 3.2449 3.3168 3.3168 4.8853 4.8853 5.1749 5.1749 9.0264 9.0264 9.6473 9.6473 10.4895 10.4895 10.6216 10.6216 k = 0.5635 0.1303-0.4146 ( 5212 PWs) bands (ev): -28.0102 -28.0102 -28.0100 -28.0100 -10.9925 -10.9925 -10.9174 -10.9174 -10.0857 -10.0857 -9.9798 -9.9798 -9.7222 -9.7222 -9.6714 -9.6714 -9.0749 -9.0749 -7.8007 -7.8007 -7.2977 -7.2977 1.4600 1.4600 2.2429 2.2429 2.4398 2.4398 2.9293 2.9293 3.0876 3.0876 3.2524 3.2524 3.3130 3.3130 4.8944 4.8944 5.1640 5.1640 8.9882 8.9882 9.6373 9.6373 10.4518 10.4518 10.6178 10.6178 k = 0.5598 0.1295-0.3861 ( 5202 PWs) bands (ev): -28.0109 -28.0109 -28.0107 -28.0107 -10.9889 -10.9889 -10.9154 -10.9154 -10.0796 -10.0796 -9.9731 -9.9731 -9.7137 -9.7137 -9.6647 -9.6647 -9.0784 -9.0784 -7.8134 -7.8134 -7.3081 -7.3081 1.4379 1.4379 2.2674 2.2674 2.4730 2.4730 2.9294 2.9294 3.0949 3.0949 3.2579 3.2579 3.3096 3.3096 4.9046 4.9046 5.1536 5.1536 8.9513 8.9513 9.6202 9.6202 10.4211 10.4211 10.6129 10.6129 k = 0.5560 0.1286-0.3577 ( 5197 PWs) bands (ev): -28.0115 -28.0115 -28.0114 -28.0114 -10.9855 -10.9855 -10.9137 -10.9137 -10.0738 -10.0738 -9.9662 -9.9662 -9.7046 -9.7046 -9.6577 -9.6577 -9.0826 -9.0826 -7.8258 -7.8258 -7.3181 -7.3181 1.4167 1.4167 2.2908 2.2908 2.5059 2.5059 2.9291 2.9291 3.1038 3.1038 3.2615 3.2615 3.3065 3.3065 4.9158 4.9158 5.1438 5.1438 8.9158 8.9158 9.5954 9.5954 10.3988 10.3988 10.6074 10.6074 k = 0.5523 0.1277-0.3292 ( 5202 PWs) bands (ev): -28.0122 -28.0122 -28.0120 -28.0120 -10.9824 -10.9824 -10.9123 -10.9123 -10.0685 -10.0685 -9.9593 -9.9593 -9.6951 -9.6951 -9.6504 -9.6504 -9.0877 -9.0877 -7.8380 -7.8380 -7.3278 -7.3278 1.3964 1.3964 2.3132 2.3132 2.5375 2.5375 2.9289 2.9289 3.1137 3.1137 3.2632 3.2632 3.3037 3.3037 4.9278 4.9278 5.1346 5.1346 8.8819 8.8819 9.5630 9.5630 10.3853 10.3853 10.6016 10.6016 k = 0.5486 0.1269-0.3007 ( 5205 PWs) bands (ev): -28.0128 -28.0128 -28.0126 -28.0126 -10.9795 -10.9795 -10.9112 -10.9112 -10.0636 -10.0636 -9.9523 -9.9523 -9.6851 -9.6851 -9.6430 -9.6430 -9.0935 -9.0935 -7.8498 -7.8498 -7.3371 -7.3371 1.3771 1.3771 2.3350 2.3350 2.5672 2.5672 2.9294 2.9294 3.1246 3.1246 3.2633 3.2633 3.3009 3.3009 4.9405 4.9405 5.1260 5.1260 8.8496 8.8496 9.5239 9.5239 10.3799 10.3799 10.5962 10.5962 k = 0.5448 0.1260-0.2723 ( 5205 PWs) bands (ev): -28.0134 -28.0134 -28.0132 -28.0132 -10.9769 -10.9769 -10.9103 -10.9103 -10.0592 -10.0592 -9.9454 -9.9454 -9.6747 -9.6747 -9.6355 -9.6355 -9.0999 -9.0999 -7.8612 -7.8612 -7.3459 -7.3459 1.3589 1.3589 2.3561 2.3561 2.5941 2.5941 2.9312 2.9312 3.1359 3.1359 3.2622 3.2622 3.2978 3.2978 4.9537 4.9537 5.1180 5.1180 8.8192 8.8192 9.4797 9.4797 10.3808 10.3808 10.5922 10.5922 k = 0.5411 0.1251-0.2438 ( 5213 PWs) bands (ev): -28.0139 -28.0139 -28.0138 -28.0138 -10.9745 -10.9745 -10.9096 -10.9096 -10.0552 -10.0552 -9.9387 -9.9387 -9.6640 -9.6640 -9.6280 -9.6280 -9.1069 -9.1069 -7.8721 -7.8721 -7.3542 -7.3542 1.3420 1.3420 2.3767 2.3767 2.6177 2.6177 2.9345 2.9345 3.1475 3.1475 3.2603 3.2603 3.2941 3.2941 4.9672 4.9672 5.1108 5.1108 8.7908 8.7908 9.4321 9.4321 10.3857 10.3857 10.5909 10.5909 k = 0.5374 0.1243-0.2154 ( 5220 PWs) bands (ev): -28.0144 -28.0144 -28.0143 -28.0143 -10.9723 -10.9723 -10.9091 -10.9091 -10.0516 -10.0516 -9.9324 -9.9324 -9.6532 -9.6532 -9.6207 -9.6207 -9.1144 -9.1144 -7.8824 -7.8824 -7.3620 -7.3620 1.3263 1.3263 2.3966 2.3966 2.6377 2.6377 2.9397 2.9397 3.1590 3.1590 3.2580 3.2580 3.2897 3.2897 4.9807 4.9807 5.1043 5.1043 8.7645 8.7645 9.3830 9.3830 10.3917 10.3917 10.5939 10.5939 k = 0.5336 0.1234-0.1869 ( 5216 PWs) bands (ev): -28.0149 -28.0149 -28.0147 -28.0147 -10.9705 -10.9705 -10.9087 -10.9087 -10.0485 -10.0485 -9.9264 -9.9264 -9.6422 -9.6422 -9.6137 -9.6137 -9.1222 -9.1222 -7.8920 -7.8920 -7.3692 -7.3692 1.3119 1.3119 2.4157 2.4157 2.6540 2.6540 2.9468 2.9468 3.1701 3.1701 3.2555 3.2555 3.2845 3.2845 4.9940 4.9940 5.0986 5.0986 8.7405 8.7405 9.3340 9.3340 10.3962 10.3962 10.6025 10.6025 k = 0.5299 0.1226-0.1585 ( 5218 PWs) bands (ev): -28.0153 -28.0153 -28.0152 -28.0152 -10.9688 -10.9688 -10.9084 -10.9084 -10.0458 -10.0458 -9.9209 -9.9209 -9.6314 -9.6314 -9.6070 -9.6070 -9.1301 -9.1301 -7.9009 -7.9009 -7.3757 -7.3757 1.2988 1.2988 2.4339 2.4339 2.6666 2.6666 2.9555 2.9555 3.1805 3.1805 3.2530 3.2530 3.2787 3.2787 5.0066 5.0066 5.0937 5.0937 8.7187 8.7187 9.2866 9.2866 10.3977 10.3977 10.6171 10.6171 k = 0.5261 0.1217-0.1300 ( 5220 PWs) bands (ev): -28.0157 -28.0157 -28.0156 -28.0156 -10.9674 -10.9674 -10.9082 -10.9082 -10.0434 -10.0434 -9.9160 -9.9160 -9.6208 -9.6208 -9.6008 -9.6008 -9.1379 -9.1379 -7.9090 -7.9090 -7.3815 -7.3815 1.2872 1.2872 2.4508 2.4508 2.6761 2.6761 2.9656 2.9656 3.1898 3.1898 3.2505 3.2505 3.2728 3.2728 5.0183 5.0183 5.0898 5.0898 8.6994 8.6994 9.2421 9.2421 10.3961 10.3961 10.6367 10.6367 k = 0.5224 0.1208-0.1016 ( 5224 PWs) bands (ev): -28.0160 -28.0160 -28.0159 -28.0159 -10.9662 -10.9662 -10.9081 -10.9081 -10.0414 -10.0414 -9.9116 -9.9116 -9.6109 -9.6109 -9.5952 -9.5952 -9.1454 -9.1454 -7.9162 -7.9162 -7.3867 -7.3867 1.2771 1.2771 2.4663 2.4663 2.6828 2.6828 2.9763 2.9763 3.1976 3.1976 3.2476 3.2476 3.2676 3.2676 5.0286 5.0286 5.0870 5.0870 8.6826 8.6826 9.2014 9.2014 10.3920 10.3920 10.6596 10.6596 k = 0.5187 0.1200-0.0731 ( 5222 PWs) bands (ev): -28.0163 -28.0163 -28.0162 -28.0162 -10.9652 -10.9652 -10.9080 -10.9080 -10.0398 -10.0398 -9.9079 -9.9079 -9.6017 -9.6017 -9.5902 -9.5902 -9.1525 -9.1525 -7.9224 -7.9224 -7.3911 -7.3911 1.2684 1.2684 2.4800 2.4800 2.6873 2.6873 2.9871 2.9871 3.2036 3.2036 3.2439 3.2439 3.2642 3.2642 5.0371 5.0371 5.0855 5.0855 8.6684 8.6684 9.1655 9.1655 10.3865 10.3865 10.6834 10.6834 k = 0.5149 0.1191-0.0447 ( 5230 PWs) bands (ev): -28.0166 -28.0166 -28.0164 -28.0164 -10.9644 -10.9644 -10.9079 -10.9079 -10.0385 -10.0385 -9.9049 -9.9049 -9.5937 -9.5937 -9.5861 -9.5861 -9.1587 -9.1587 -7.9275 -7.9275 -7.3947 -7.3947 1.2613 1.2613 2.4918 2.4918 2.6902 2.6902 2.9973 2.9973 3.2077 3.2077 3.2391 3.2391 3.2630 3.2630 5.0435 5.0435 5.0853 5.0853 8.6566 8.6566 9.1352 9.1352 10.3807 10.3807 10.7059 10.7059 k = 0.5112 0.1182-0.0162 ( 5228 PWs) bands (ev): -28.0167 -28.0167 -28.0166 -28.0166 -10.9639 -10.9639 -10.9079 -10.9079 -10.0374 -10.0374 -9.9025 -9.9025 -9.5871 -9.5871 -9.5828 -9.5828 -9.1639 -9.1639 -7.9316 -7.9316 -7.3975 -7.3975 1.2557 1.2557 2.5013 2.5013 2.6920 2.6920 3.0062 3.0062 3.2101 3.2101 3.2342 3.2342 3.2633 3.2633 5.0476 5.0476 5.0861 5.0861 8.6475 8.6475 9.1110 9.1110 10.3754 10.3754 10.7249 10.7249 k = 0.5075 0.1174 0.0122 ( 5235 PWs) bands (ev): -28.0169 -28.0169 -28.0167 -28.0167 -10.9634 -10.9634 -10.9078 -10.9078 -10.0367 -10.0367 -9.9008 -9.9008 -9.5821 -9.5821 -9.5804 -9.5804 -9.1678 -9.1678 -7.9346 -7.9346 -7.3996 -7.3996 1.2517 1.2517 2.5083 2.5083 2.6930 2.6930 3.0132 3.0132 3.2111 3.2111 3.2302 3.2302 3.2643 3.2643 5.0500 5.0500 5.0875 5.0875 8.6410 8.6410 9.0933 9.0933 10.3713 10.3713 10.7384 10.7384 k = 0.5037 0.1165 0.0407 ( 5241 PWs) bands (ev): -28.0170 -28.0170 -28.0168 -28.0168 -10.9632 -10.9632 -10.9078 -10.9078 -10.0363 -10.0363 -9.8998 -9.8998 -9.5791 -9.5791 -9.5789 -9.5789 -9.1702 -9.1702 -7.9364 -7.9364 -7.4008 -7.4008 1.2493 1.2493 2.5125 2.5125 2.6935 2.6935 3.0177 3.0177 3.2112 3.2112 3.2278 3.2278 3.2652 3.2652 5.0511 5.0511 5.0886 5.0886 8.6371 8.6371 9.0826 9.0826 10.3686 10.3686 10.7451 10.7451 k = 0.5000 0.1156 0.0691 ( 5246 PWs) bands (ev): -28.0170 -28.0170 -28.0168 -28.0168 -10.9631 -10.9631 -10.9078 -10.9078 -10.0361 -10.0361 -9.8995 -9.8995 -9.5784 -9.5784 -9.5781 -9.5781 -9.1711 -9.1711 -7.9369 -7.9369 -7.4012 -7.4012 1.2485 1.2485 2.5140 2.5140 2.6936 2.6936 3.0192 3.0192 3.2111 3.2111 3.2269 3.2269 3.2655 3.2655 5.0515 5.0515 5.0891 5.0891 8.6358 8.6358 9.0790 9.0790 10.3677 10.3677 10.7467 10.7467 k = 0.5000-1.0231-0.6118 ( 5216 PWs) bands (ev): -27.9955 -27.9955 -27.9954 -27.9954 -11.0663 -11.0663 -11.0527 -11.0527 -10.1518 -10.1518 -10.1183 -10.1183 -9.7467 -9.7467 -9.7389 -9.7389 -9.1515 -9.1515 -7.5949 -7.5949 -7.0823 -7.0823 1.4100 1.4100 2.1519 2.1519 2.3693 2.3693 2.4934 2.4934 2.8439 2.8439 3.1572 3.1572 3.3359 3.3359 5.0265 5.0265 5.4414 5.4414 9.3974 9.3974 9.9753 9.9753 10.2308 10.2308 10.5898 10.5898 k = 0.5268-1.0135-0.6060 ( 5222 PWs) bands (ev): -27.9955 -27.9955 -27.9954 -27.9954 -11.0668 -11.0668 -11.0522 -11.0522 -10.1522 -10.1522 -10.1178 -10.1178 -9.7467 -9.7467 -9.7389 -9.7389 -9.1517 -9.1517 -7.5946 -7.5946 -7.0825 -7.0825 1.4100 1.4100 2.1516 2.1516 2.3638 2.3638 2.4992 2.4992 2.8438 2.8438 3.1578 3.1578 3.3363 3.3363 5.0254 5.0254 5.4412 5.4412 9.3986 9.3986 9.9725 9.9725 10.2348 10.2348 10.5902 10.5902 k = 0.5535-1.0038-0.6002 ( 5224 PWs) bands (ev): -27.9955 -27.9955 -27.9953 -27.9953 -11.0680 -11.0680 -11.0510 -11.0510 -10.1534 -10.1534 -10.1163 -10.1163 -9.7467 -9.7467 -9.7389 -9.7389 -9.1523 -9.1523 -7.5938 -7.5938 -7.0830 -7.0830 1.4102 1.4102 2.1507 2.1507 2.3497 2.3497 2.5142 2.5142 2.8434 2.8434 3.1596 3.1596 3.3375 3.3375 5.0221 5.0221 5.4408 5.4408 9.4022 9.4022 9.9650 9.9650 10.2460 10.2460 10.5915 10.5915 k = 0.5803-0.9942-0.5945 ( 5222 PWs) bands (ev): -27.9955 -27.9955 -27.9953 -27.9953 -11.0696 -11.0696 -11.0494 -11.0494 -10.1551 -10.1551 -10.1140 -10.1140 -9.7466 -9.7466 -9.7388 -9.7388 -9.1533 -9.1533 -7.5925 -7.5925 -7.0839 -7.0839 1.4104 1.4104 2.1493 2.1493 2.3311 2.3311 2.5343 2.5343 2.8429 2.8429 3.1624 3.1624 3.3394 3.3394 5.0168 5.0168 5.4401 5.4401 9.4077 9.4077 9.9544 9.9544 10.2627 10.2627 10.5936 10.5936 k = 0.6071-0.9845-0.5887 ( 5222 PWs) bands (ev): -27.9955 -27.9955 -27.9953 -27.9953 -11.0715 -11.0715 -11.0475 -11.0475 -10.1571 -10.1571 -10.1112 -10.1112 -9.7466 -9.7466 -9.7387 -9.7387 -9.1547 -9.1547 -7.5907 -7.5907 -7.0852 -7.0852 1.4107 1.4107 2.1473 2.1473 2.3107 2.3107 2.5565 2.5565 2.8423 2.8423 3.1663 3.1663 3.3419 3.3419 5.0096 5.0096 5.4391 5.4391 9.4149 9.4149 9.9429 9.9429 10.2830 10.2830 10.5965 10.5965 k = 0.6338-0.9749-0.5829 ( 5218 PWs) bands (ev): -27.9955 -27.9955 -27.9953 -27.9953 -11.0735 -11.0735 -11.0456 -11.0456 -10.1594 -10.1594 -10.1081 -10.1081 -9.7465 -9.7465 -9.7386 -9.7386 -9.1564 -9.1564 -7.5885 -7.5885 -7.0867 -7.0867 1.4111 1.4111 2.1448 2.1448 2.2900 2.2900 2.5794 2.5794 2.8417 2.8417 3.1712 3.1712 3.3450 3.3450 5.0007 5.0007 5.4379 5.4379 9.4230 9.4230 9.9323 9.9323 10.3050 10.3050 10.6002 10.6002 k = 0.6606-0.9653-0.5772 ( 5217 PWs) bands (ev): -27.9956 -27.9956 -27.9953 -27.9953 -11.0755 -11.0755 -11.0436 -11.0436 -10.1616 -10.1616 -10.1047 -10.1047 -9.7465 -9.7465 -9.7384 -9.7384 -9.1583 -9.1583 -7.5860 -7.5860 -7.0885 -7.0885 1.4116 1.4116 2.1420 2.1420 2.2698 2.2698 2.6020 2.6020 2.8413 2.8413 3.1767 3.1767 3.3486 3.3486 4.9904 4.9904 5.4366 5.4366 9.4315 9.4315 9.9239 9.9239 10.3272 10.3272 10.6050 10.6050 k = 0.6874-0.9556-0.5714 ( 5218 PWs) bands (ev): -27.9956 -27.9956 -27.9953 -27.9953 -11.0774 -11.0774 -11.0417 -11.0417 -10.1639 -10.1639 -10.1013 -10.1013 -9.7465 -9.7465 -9.7382 -9.7382 -9.1605 -9.1605 -7.5832 -7.5832 -7.0904 -7.0904 1.4121 1.4121 2.1387 2.1387 2.2506 2.2506 2.6236 2.6236 2.8413 2.8413 3.1829 3.1829 3.3525 3.3525 4.9791 4.9791 5.4351 5.4351 9.4395 9.4395 9.9188 9.9188 10.3482 10.3482 10.6114 10.6114 k = 0.7142-0.9460-0.5657 ( 5226 PWs) bands (ev): -27.9956 -27.9956 -27.9953 -27.9953 -11.0793 -11.0793 -11.0399 -11.0399 -10.1660 -10.1660 -10.0979 -10.0979 -9.7466 -9.7466 -9.7380 -9.7380 -9.1627 -9.1627 -7.5802 -7.5802 -7.0926 -7.0926 1.4126 1.4126 2.1352 2.1352 2.2327 2.2327 2.6436 2.6436 2.8419 2.8419 3.1894 3.1894 3.3565 3.3565 4.9671 4.9671 5.4336 5.4336 9.4464 9.4464 9.9174 9.9174 10.3665 10.3665 10.6206 10.6206 k = 0.7409-0.9364-0.5599 ( 5237 PWs) bands (ev): -27.9956 -27.9956 -27.9953 -27.9953 -11.0810 -11.0810 -11.0382 -11.0382 -10.1679 -10.1679 -10.0947 -10.0947 -9.7467 -9.7467 -9.7377 -9.7377 -9.1650 -9.1650 -7.5771 -7.5771 -7.0948 -7.0948 1.4132 1.4132 2.1314 2.1314 2.2165 2.2165 2.6617 2.6617 2.8431 2.8431 3.1961 3.1961 3.3605 3.3605 4.9548 4.9548 5.4320 5.4320 9.4519 9.4519 9.9199 9.9199 10.3804 10.3804 10.6341 10.6341 k = 0.7677-0.9267-0.5541 ( 5243 PWs) bands (ev): -27.9957 -27.9957 -27.9953 -27.9953 -11.0826 -11.0826 -11.0366 -11.0366 -10.1697 -10.1697 -10.0916 -10.0916 -9.7468 -9.7468 -9.7373 -9.7373 -9.1673 -9.1673 -7.5740 -7.5740 -7.0971 -7.0971 1.4138 1.4138 2.1273 2.1273 2.2022 2.2022 2.6775 2.6775 2.8452 2.8452 3.2027 3.2027 3.3644 3.3644 4.9427 4.9427 5.4305 5.4305 9.4558 9.4558 9.9257 9.9257 10.3889 10.3889 10.6532 10.6532 k = 0.7945-0.9171-0.5484 ( 5243 PWs) bands (ev): -27.9957 -27.9957 -27.9953 -27.9953 -11.0840 -11.0840 -11.0351 -11.0351 -10.1713 -10.1713 -10.0887 -10.0887 -9.7471 -9.7471 -9.7369 -9.7369 -9.1695 -9.1695 -7.5710 -7.5710 -7.0993 -7.0993 1.4143 1.4143 2.1230 2.1230 2.1900 2.1900 2.6909 2.6909 2.8480 2.8480 3.2091 3.2091 3.3680 3.3680 4.9311 4.9311 5.4290 5.4290 9.4582 9.4582 9.9341 9.9341 10.3914 10.3914 10.6790 10.6790 k = 0.8212-0.9074-0.5426 ( 5243 PWs) bands (ev): -27.9957 -27.9957 -27.9953 -27.9953 -11.0852 -11.0852 -11.0338 -11.0338 -10.1727 -10.1727 -10.0861 -10.0861 -9.7475 -9.7475 -9.7364 -9.7364 -9.1715 -9.1715 -7.5682 -7.5682 -7.1014 -7.1014 1.4149 1.4149 2.1185 2.1185 2.1801 2.1801 2.7018 2.7018 2.8514 2.8514 3.2150 3.2150 3.3713 3.3713 4.9205 4.9205 5.4277 5.4277 9.4594 9.4594 9.9437 9.9437 10.3886 10.3886 10.7118 10.7118 Writing output data file Sr2BBrN2.save init_run : 0.52s CPU 0.68s WALL ( 1 calls) electrons : 325.10s CPU 327.78s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.07s CPU 0.11s WALL ( 1 calls) Called by electrons: c_bands : 325.10s CPU 327.77s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.06s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.07s WALL ( 289 calls) cegterg : 290.12s CPU 292.19s WALL ( 386 calls) Called by sum_band: Called by *egterg: h_psi : 260.22s CPU 262.02s WALL ( 6771 calls) s_psi : 3.50s CPU 3.39s WALL ( 6771 calls) g_psi : 0.27s CPU 0.22s WALL ( 6096 calls) cdiaghg : 43.03s CPU 43.72s WALL ( 6385 calls) cegterg:over : 5.30s CPU 5.30s WALL ( 6096 calls) cegterg:upda : 5.26s CPU 5.19s WALL ( 6096 calls) cegterg:last : 2.20s CPU 2.27s WALL ( 964 calls) cdiaghg:chol : 2.50s CPU 2.54s WALL ( 6385 calls) cdiaghg:inve : 1.61s CPU 1.64s WALL ( 6385 calls) cdiaghg:para : 2.60s CPU 2.53s WALL ( 12770 calls) Called by h_psi: h_psi:vloc : 251.96s CPU 253.55s WALL ( 6771 calls) h_psi:vnl : 8.13s CPU 8.26s WALL ( 6771 calls) add_vuspsi : 3.97s CPU 4.01s WALL ( 6771 calls) General routines calbec : 4.14s CPU 4.23s WALL ( 6771 calls) fft : 0.01s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 233.80s CPU 235.45s WALL ( 620544 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.12s CPU 0.34s WALL ( 578 calls) Parallel routines fft_scatter : 43.69s CPU 43.76s WALL ( 620567 calls) PWSCF : 5m41.03s CPU 5m58.96s WALL This run was terminated on: 14:27:14 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=