Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:15:16 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: ./Ca3SiBr2.save/ file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 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 110 80 23 2859 1777 272 Max 111 81 24 2860 1795 274 Sum 3975 2897 833 102939 64157 9819 bravais-lattice index = 14 lattice parameter (alat) = 21.6865 a.u. unit-cell volume = 1342.7719 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 274.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 21.686495 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.921931 celldm(5)= 0.921931 celldm(6)= 0.921931 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.921931 0.387355 0.000000 ) a(3) = ( 0.921931 0.185810 0.339880 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -2.380069 -1.411352 ) b(2) = ( 0.000000 2.581613 -1.411352 ) b(3) = ( 0.000000 0.000000 2.942217 ) 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 Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef 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 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Br 7.00 79.90400 Br( 1.00) Ca 10.00 40.07800 Ca( 1.00) Si 4.00 28.08550 Si( 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= 259 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038610 k( 2) = ( 0.0121951 -0.0290252 -0.0172116), wk = 0.0038610 k( 3) = ( 0.0243902 -0.0580504 -0.0344232), wk = 0.0038610 k( 4) = ( 0.0365854 -0.0870757 -0.0516348), wk = 0.0038610 k( 5) = ( 0.0487805 -0.1161009 -0.0688464), wk = 0.0038610 k( 6) = ( 0.0609756 -0.1451261 -0.0860580), wk = 0.0038610 k( 7) = ( 0.0731707 -0.1741514 -0.1032696), wk = 0.0038610 k( 8) = ( 0.0853658 -0.2031766 -0.1204812), wk = 0.0038610 k( 9) = ( 0.0975610 -0.2322018 -0.1376929), wk = 0.0038610 k( 10) = ( 0.1097561 -0.2612271 -0.1549045), wk = 0.0038610 k( 11) = ( 0.1219512 -0.2902523 -0.1721161), wk = 0.0038610 k( 12) = ( 0.1341463 -0.3192775 -0.1893277), wk = 0.0038610 k( 13) = ( 0.1463415 -0.3483027 -0.2065393), wk = 0.0038610 k( 14) = ( 0.1585366 -0.3773280 -0.2237509), wk = 0.0038610 k( 15) = ( 0.1707317 -0.4063532 -0.2409625), wk = 0.0038610 k( 16) = ( 0.1829268 -0.4353784 -0.2581741), wk = 0.0038610 k( 17) = ( 0.1951219 -0.4644037 -0.2753857), wk = 0.0038610 k( 18) = ( 0.2073171 -0.4934289 -0.2925973), wk = 0.0038610 k( 19) = ( 0.2195122 -0.5224541 -0.3098089), wk = 0.0038610 k( 20) = ( 0.2317073 -0.5514793 -0.3270205), wk = 0.0038610 k( 21) = ( 0.2439024 -0.5805046 -0.3442321), wk = 0.0038610 k( 22) = ( 0.2560976 -0.6095298 -0.3614437), wk = 0.0038610 k( 23) = ( 0.2682927 -0.6385550 -0.3786553), wk = 0.0038610 k( 24) = ( 0.2804878 -0.6675802 -0.3958670), wk = 0.0038610 k( 25) = ( 0.2926829 -0.6966055 -0.4130786), wk = 0.0038610 k( 26) = ( 0.3048781 -0.7256307 -0.4302902), wk = 0.0038610 k( 27) = ( 0.3170732 -0.7546559 -0.4475018), wk = 0.0038610 k( 28) = ( 0.3292683 -0.7836812 -0.4647134), wk = 0.0038610 k( 29) = ( 0.3414634 -0.8127064 -0.4819250), wk = 0.0038610 k( 30) = ( 0.3536585 -0.8417316 -0.4991366), wk = 0.0038610 k( 31) = ( 0.3658537 -0.8707569 -0.5163482), wk = 0.0038610 k( 32) = ( 0.3780488 -0.8997821 -0.5335598), wk = 0.0038610 k( 33) = ( 0.3902439 -0.9288073 -0.5507714), wk = 0.0038610 k( 34) = ( 0.4024390 -0.9578325 -0.5679830), wk = 0.0038610 k( 35) = ( 0.4146341 -0.9868578 -0.5851946), wk = 0.0038610 k( 36) = ( 0.4268293 -1.0158830 -0.6024062), wk = 0.0038610 k( 37) = ( 0.4390244 -1.0449082 -0.6196179), wk = 0.0038610 k( 38) = ( 0.4512195 -1.0739334 -0.6368295), wk = 0.0038610 k( 39) = ( 0.4634146 -1.1029587 -0.6540411), wk = 0.0038610 k( 40) = ( 0.4756098 -1.1319839 -0.6712527), wk = 0.0038610 k( 41) = ( 0.4878049 -1.1610091 -0.6884643), wk = 0.0038610 k( 42) = ( 0.5000000 -1.1900344 -0.7056759), wk = 0.0038610 k( 43) = ( 0.5000000 -1.1900344 -0.7056759), wk = 0.0038610 k( 44) = ( 0.5000000 -1.1718787 -0.7362932), wk = 0.0038610 k( 45) = ( 0.5000000 -1.1537230 -0.7669105), wk = 0.0038610 k( 46) = ( 0.5000000 -1.1355673 -0.7975278), wk = 0.0038610 k( 47) = ( 0.5000000 -1.1174116 -0.8281451), wk = 0.0038610 k( 48) = ( 0.5000000 -1.0992559 -0.8587624), wk = 0.0038610 k( 49) = ( 0.5000000 -1.0811002 -0.8893797), wk = 0.0038610 k( 50) = ( 0.5000000 -1.0629445 -0.9199970), wk = 0.0038610 k( 51) = ( 0.5000000 -1.0447888 -0.9506143), wk = 0.0038610 k( 52) = ( 0.5000000 -1.0266332 -0.9812316), wk = 0.0038610 k( 53) = ( 0.5000000 -1.0084775 -1.0118489), wk = 0.0038610 k( 54) = ( 0.5000000 -0.9903218 -1.0424662), wk = 0.0038610 k( 55) = ( 0.5000000 -0.9721661 -1.0730835), wk = 0.0038610 k( 56) = ( 0.5000000 -0.9540104 -1.1037009), wk = 0.0038610 k( 57) = ( 0.5000000 -0.9358547 -1.1343182), wk = 0.0038610 k( 58) = ( 0.5000000 -0.9176990 -1.1649355), wk = 0.0038610 k( 59) = ( 0.5000000 -0.8995433 -1.1955528), wk = 0.0038610 k( 60) = ( 0.5000000 -0.8813877 -1.2261701), wk = 0.0038610 k( 61) = ( 0.5000000 -0.8632320 -1.2567874), wk = 0.0038610 k( 62) = ( 0.5000000 -0.8450763 -1.2874047), wk = 0.0038610 k( 63) = ( 0.5000000 -0.8269206 -1.3180220), wk = 0.0038610 k( 64) = ( 0.5000000 -0.8087649 -1.3486393), wk = 0.0038610 k( 65) = ( 0.5000000 -0.7906092 -1.3792566), wk = 0.0038610 k( 66) = ( 0.5000000 -0.7724535 -1.4098739), wk = 0.0038610 k( 67) = ( 0.5000000 -0.7542978 -1.4404912), wk = 0.0038610 k( 68) = ( 0.5000000 -0.7361421 -1.4711085), wk = 0.0038610 k( 69) = ( 0.8241827 -0.6708049 -1.3515950), wk = 0.0038610 k( 70) = ( 0.8169787 -0.6536587 -1.3202317), wk = 0.0038610 k( 71) = ( 0.8097746 -0.6365126 -1.2888683), wk = 0.0038610 k( 72) = ( 0.8025705 -0.6193664 -1.2575049), wk = 0.0038610 k( 73) = ( 0.7953665 -0.6022202 -1.2261416), wk = 0.0038610 k( 74) = ( 0.7881624 -0.5850741 -1.1947782), wk = 0.0038610 k( 75) = ( 0.7809584 -0.5679279 -1.1634148), wk = 0.0038610 k( 76) = ( 0.7737543 -0.5507818 -1.1320514), wk = 0.0038610 k( 77) = ( 0.7665502 -0.5336356 -1.1006881), wk = 0.0038610 k( 78) = ( 0.7593462 -0.5164895 -1.0693247), wk = 0.0038610 k( 79) = ( 0.7521421 -0.4993433 -1.0379613), wk = 0.0038610 k( 80) = ( 0.7449381 -0.4821971 -1.0065980), wk = 0.0038610 k( 81) = ( 0.7377340 -0.4650510 -0.9752345), wk = 0.0038610 k( 82) = ( 0.7305299 -0.4479048 -0.9438712), wk = 0.0038610 k( 83) = ( 0.7233259 -0.4307586 -0.9125078), wk = 0.0038610 k( 84) = ( 0.7161218 -0.4136125 -0.8811444), wk = 0.0038610 k( 85) = ( 0.7089178 -0.3964663 -0.8497811), wk = 0.0038610 k( 86) = ( 0.7017137 -0.3793202 -0.8184177), wk = 0.0038610 k( 87) = ( 0.6945096 -0.3621740 -0.7870543), wk = 0.0038610 k( 88) = ( 0.6873056 -0.3450279 -0.7556909), wk = 0.0038610 k( 89) = ( 0.6801015 -0.3278817 -0.7243276), wk = 0.0038610 k( 90) = ( 0.6728975 -0.3107355 -0.6929642), wk = 0.0038610 k( 91) = ( 0.6656934 -0.2935894 -0.6616008), wk = 0.0038610 k( 92) = ( 0.6584893 -0.2764432 -0.6302375), wk = 0.0038610 k( 93) = ( 0.6512853 -0.2592971 -0.5988741), wk = 0.0038610 k( 94) = ( 0.6440812 -0.2421509 -0.5675107), wk = 0.0038610 k( 95) = ( 0.6368772 -0.2250047 -0.5361474), wk = 0.0038610 k( 96) = ( 0.6296731 -0.2078586 -0.5047840), wk = 0.0038610 k( 97) = ( 0.6224690 -0.1907124 -0.4734206), wk = 0.0038610 k( 98) = ( 0.6152650 -0.1735663 -0.4420572), wk = 0.0038610 k( 99) = ( 0.6080609 -0.1564201 -0.4106939), wk = 0.0038610 k( 100) = ( 0.6008568 -0.1392740 -0.3793305), wk = 0.0038610 k( 101) = ( 0.5936528 -0.1221278 -0.3479671), wk = 0.0038610 k( 102) = ( 0.5864487 -0.1049816 -0.3166038), wk = 0.0038610 k( 103) = ( 0.5792447 -0.0878355 -0.2852403), wk = 0.0038610 k( 104) = ( 0.5720406 -0.0706893 -0.2538770), wk = 0.0038610 k( 105) = ( 0.5648365 -0.0535431 -0.2225136), wk = 0.0038610 k( 106) = ( 0.5576325 -0.0363970 -0.1911502), wk = 0.0038610 k( 107) = ( 0.5504284 -0.0192508 -0.1597869), wk = 0.0038610 k( 108) = ( 0.5432244 -0.0021047 -0.1284235), wk = 0.0038610 k( 109) = ( 0.5360203 0.0150415 -0.0970601), wk = 0.0038610 k( 110) = ( 0.5288162 0.0321876 -0.0656967), wk = 0.0038610 k( 111) = ( 0.5216122 0.0493338 -0.0343334), wk = 0.0038610 k( 112) = ( 0.5144081 0.0664800 -0.0029700), wk = 0.0038610 k( 113) = ( 0.5072041 0.0836261 0.0283934), wk = 0.0038610 k( 114) = ( 0.5000000 0.1007723 0.0597567), wk = 0.0038610 k( 115) = ( 0.5000000 0.1007723 0.0597567), wk = 0.0038610 k( 116) = ( 0.4666667 0.0940541 0.0557730), wk = 0.0038610 k( 117) = ( 0.4333333 0.0873360 0.0517892), wk = 0.0038610 k( 118) = ( 0.4000000 0.0806178 0.0478054), wk = 0.0038610 k( 119) = ( 0.3666667 0.0738997 0.0438216), wk = 0.0038610 k( 120) = ( 0.3333333 0.0671815 0.0398378), wk = 0.0038610 k( 121) = ( 0.3000000 0.0604634 0.0358540), wk = 0.0038610 k( 122) = ( 0.2666667 0.0537452 0.0318703), wk = 0.0038610 k( 123) = ( 0.2333333 0.0470271 0.0278865), wk = 0.0038610 k( 124) = ( 0.2000000 0.0403089 0.0239027), wk = 0.0038610 k( 125) = ( 0.1666667 0.0335908 0.0199189), wk = 0.0038610 k( 126) = ( 0.1333333 0.0268726 0.0159351), wk = 0.0038610 k( 127) = ( 0.1000000 0.0201545 0.0119513), wk = 0.0038610 k( 128) = ( 0.0666667 0.0134363 0.0079676), wk = 0.0038610 k( 129) = ( 0.0333333 0.0067182 0.0039838), wk = 0.0038610 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038610 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038610 k( 132) = ( 0.0071896 -0.0171116 -0.0313002), wk = 0.0038610 k( 133) = ( 0.0143791 -0.0342232 -0.0626004), wk = 0.0038610 k( 134) = ( 0.0215686 -0.0513348 -0.0939006), wk = 0.0038610 k( 135) = ( 0.0287582 -0.0684464 -0.1252007), wk = 0.0038610 k( 136) = ( 0.0359477 -0.0855581 -0.1565009), wk = 0.0038610 k( 137) = ( 0.0431373 -0.1026697 -0.1878011), wk = 0.0038610 k( 138) = ( 0.0503268 -0.1197813 -0.2191013), wk = 0.0038610 k( 139) = ( 0.0575164 -0.1368929 -0.2504014), wk = 0.0038610 k( 140) = ( 0.0647059 -0.1540045 -0.2817016), wk = 0.0038610 k( 141) = ( 0.0718955 -0.1711161 -0.3130018), wk = 0.0038610 k( 142) = ( 0.0790850 -0.1882277 -0.3443020), wk = 0.0038610 k( 143) = ( 0.0862746 -0.2053394 -0.3756022), wk = 0.0038610 k( 144) = ( 0.0934641 -0.2224510 -0.4069023), wk = 0.0038610 k( 145) = ( 0.1006536 -0.2395626 -0.4382025), wk = 0.0038610 k( 146) = ( 0.1078432 -0.2566742 -0.4695027), wk = 0.0038610 k( 147) = ( 0.1150327 -0.2737858 -0.5008029), wk = 0.0038610 k( 148) = ( 0.1222223 -0.2908974 -0.5321031), wk = 0.0038610 k( 149) = ( 0.1294118 -0.3080090 -0.5634033), wk = 0.0038610 k( 150) = ( 0.1366014 -0.3251206 -0.5947035), wk = 0.0038610 k( 151) = ( 0.1437909 -0.3422322 -0.6260036), wk = 0.0038610 k( 152) = ( 0.1509805 -0.3593439 -0.6573038), wk = 0.0038610 k( 153) = ( 0.1581700 -0.3764555 -0.6886040), wk = 0.0038610 k( 154) = ( 0.1653595 -0.3935671 -0.7199042), wk = 0.0038610 k( 155) = ( 0.1725491 -0.4106787 -0.7512043), wk = 0.0038610 k( 156) = ( 0.1797386 -0.4277903 -0.7825045), wk = 0.0038610 k( 157) = ( 0.1869282 -0.4449019 -0.8138047), wk = 0.0038610 k( 158) = ( 0.1941177 -0.4620135 -0.8451049), wk = 0.0038610 k( 159) = ( 0.2013073 -0.4791251 -0.8764050), wk = 0.0038610 k( 160) = ( 0.2084968 -0.4962368 -0.9077052), wk = 0.0038610 k( 161) = ( 0.2156864 -0.5133484 -0.9390054), wk = 0.0038610 k( 162) = ( 0.2228759 -0.5304600 -0.9703056), wk = 0.0038610 k( 163) = ( 0.2300655 -0.5475716 -1.0016058), wk = 0.0038610 k( 164) = ( 0.2372550 -0.5646832 -1.0329060), wk = 0.0038610 k( 165) = ( 0.2444446 -0.5817948 -1.0642062), wk = 0.0038610 k( 166) = ( 0.2516341 -0.5989064 -1.0955063), wk = 0.0038610 k( 167) = ( 0.2588236 -0.6160181 -1.1268065), wk = 0.0038610 k( 168) = ( 0.2660132 -0.6331297 -1.1581067), wk = 0.0038610 k( 169) = ( 0.2732027 -0.6502413 -1.1894069), wk = 0.0038610 k( 170) = ( 0.2803923 -0.6673529 -1.2207071), wk = 0.0038610 k( 171) = ( 0.2875818 -0.6844645 -1.2520072), wk = 0.0038610 k( 172) = ( 0.2947714 -0.7015761 -1.2833074), wk = 0.0038610 k( 173) = ( 0.3019609 -0.7186877 -1.3146076), wk = 0.0038610 k( 174) = ( 0.3091505 -0.7357993 -1.3459078), wk = 0.0038610 k( 175) = ( 0.3163400 -0.7529109 -1.3772080), wk = 0.0038610 k( 176) = ( 0.3235295 -0.7700226 -1.4085082), wk = 0.0038610 k( 177) = ( 0.3307191 -0.7871342 -1.4398083), wk = 0.0038610 k( 178) = ( 0.3379086 -0.8042458 -1.4711085), wk = 0.0038610 k( 179) = ( 0.6620914 -0.7034735 -1.4113518), wk = 0.0038610 k( 180) = ( 0.6550439 -0.6685063 -1.4113518), wk = 0.0038610 k( 181) = ( 0.6479965 -0.6335391 -1.4113518), wk = 0.0038610 k( 182) = ( 0.6409490 -0.5985719 -1.4113518), wk = 0.0038610 k( 183) = ( 0.6339016 -0.5636047 -1.4113518), wk = 0.0038610 k( 184) = ( 0.6268541 -0.5286375 -1.4113518), wk = 0.0038610 k( 185) = ( 0.6198067 -0.4936703 -1.4113518), wk = 0.0038610 k( 186) = ( 0.6127592 -0.4587031 -1.4113518), wk = 0.0038610 k( 187) = ( 0.6057118 -0.4237359 -1.4113518), wk = 0.0038610 k( 188) = ( 0.5986643 -0.3887687 -1.4113518), wk = 0.0038610 k( 189) = ( 0.5916169 -0.3538014 -1.4113518), wk = 0.0038610 k( 190) = ( 0.5845694 -0.3188342 -1.4113518), wk = 0.0038610 k( 191) = ( 0.5775219 -0.2838670 -1.4113518), wk = 0.0038610 k( 192) = ( 0.5704745 -0.2488998 -1.4113518), wk = 0.0038610 k( 193) = ( 0.5634271 -0.2139326 -1.4113518), wk = 0.0038610 k( 194) = ( 0.5563796 -0.1789654 -1.4113518), wk = 0.0038610 k( 195) = ( 0.5493322 -0.1439982 -1.4113518), wk = 0.0038610 k( 196) = ( 0.5422847 -0.1090310 -1.4113518), wk = 0.0038610 k( 197) = ( 0.5352372 -0.0740638 -1.4113518), wk = 0.0038610 k( 198) = ( 0.5281898 -0.0390965 -1.4113518), wk = 0.0038610 k( 199) = ( 0.5211423 -0.0041293 -1.4113518), wk = 0.0038610 k( 200) = ( 0.5140949 0.0308379 -1.4113518), wk = 0.0038610 k( 201) = ( 0.5070474 0.0658051 -1.4113518), wk = 0.0038610 k( 202) = ( 0.5000000 0.1007723 -1.4113518), wk = 0.0038610 k( 203) = ( 0.5000000 0.1007723 -1.4113518), wk = 0.0038610 k( 204) = ( 0.5324183 0.1073060 -1.3994004), wk = 0.0038610 k( 205) = ( 0.5648365 0.1138397 -1.3874491), wk = 0.0038610 k( 206) = ( 0.5972548 0.1203735 -1.3754977), wk = 0.0038610 k( 207) = ( 0.6296731 0.1269072 -1.3635464), wk = 0.0038610 k( 208) = ( 0.6620914 0.1334409 -1.3515950), wk = 0.0038610 k( 209) = ( 0.6620914 0.1334409 -1.3515950), wk = 0.0038610 k( 210) = ( 0.6579352 0.1326033 -1.3154065), wk = 0.0038610 k( 211) = ( 0.6537790 0.1317656 -1.2792180), wk = 0.0038610 k( 212) = ( 0.6496228 0.1309279 -1.2430295), wk = 0.0038610 k( 213) = ( 0.6454666 0.1300903 -1.2068410), wk = 0.0038610 k( 214) = ( 0.6413104 0.1292526 -1.1706525), wk = 0.0038610 k( 215) = ( 0.6371542 0.1284150 -1.1344640), wk = 0.0038610 k( 216) = ( 0.6329980 0.1275773 -1.0982755), wk = 0.0038610 k( 217) = ( 0.6288419 0.1267397 -1.0620870), wk = 0.0038610 k( 218) = ( 0.6246857 0.1259020 -1.0258985), wk = 0.0038610 k( 219) = ( 0.6205295 0.1250643 -0.9897100), wk = 0.0038610 k( 220) = ( 0.6163733 0.1242267 -0.9535215), wk = 0.0038610 k( 221) = ( 0.6122171 0.1233890 -0.9173330), wk = 0.0038610 k( 222) = ( 0.6080609 0.1225514 -0.8811444), wk = 0.0038610 k( 223) = ( 0.6039047 0.1217137 -0.8449560), wk = 0.0038610 k( 224) = ( 0.5997485 0.1208761 -0.8087674), wk = 0.0038610 k( 225) = ( 0.5955923 0.1200384 -0.7725789), wk = 0.0038610 k( 226) = ( 0.5914362 0.1192007 -0.7363904), wk = 0.0038610 k( 227) = ( 0.5872800 0.1183631 -0.7002019), wk = 0.0038610 k( 228) = ( 0.5831238 0.1175254 -0.6640134), wk = 0.0038610 k( 229) = ( 0.5789676 0.1166878 -0.6278249), wk = 0.0038610 k( 230) = ( 0.5748114 0.1158501 -0.5916364), wk = 0.0038610 k( 231) = ( 0.5706552 0.1150125 -0.5554479), wk = 0.0038610 k( 232) = ( 0.5664990 0.1141748 -0.5192594), wk = 0.0038610 k( 233) = ( 0.5623428 0.1133371 -0.4830709), wk = 0.0038610 k( 234) = ( 0.5581866 0.1124995 -0.4468823), wk = 0.0038610 k( 235) = ( 0.5540304 0.1116618 -0.4106939), wk = 0.0038610 k( 236) = ( 0.5498743 0.1108242 -0.3745053), wk = 0.0038610 k( 237) = ( 0.5457181 0.1099865 -0.3383168), wk = 0.0038610 k( 238) = ( 0.5415619 0.1091489 -0.3021283), wk = 0.0038610 k( 239) = ( 0.5374057 0.1083112 -0.2659398), wk = 0.0038610 k( 240) = ( 0.5332495 0.1074735 -0.2297513), wk = 0.0038610 k( 241) = ( 0.5290933 0.1066359 -0.1935628), wk = 0.0038610 k( 242) = ( 0.5249371 0.1057982 -0.1573743), wk = 0.0038610 k( 243) = ( 0.5207809 0.1049606 -0.1211858), wk = 0.0038610 k( 244) = ( 0.5166247 0.1041229 -0.0849973), wk = 0.0038610 k( 245) = ( 0.5124686 0.1032853 -0.0488088), wk = 0.0038610 k( 246) = ( 0.5083124 0.1024476 -0.0126203), wk = 0.0038610 k( 247) = ( 0.5041562 0.1016099 0.0235682), wk = 0.0038610 k( 248) = ( 0.5000000 0.1007723 0.0597567), wk = 0.0038610 k( 249) = ( 0.5000000 -1.1900344 -0.7056759), wk = 0.0038610 k( 250) = ( 0.5324183 -1.1799571 -0.6997002), wk = 0.0038610 k( 251) = ( 0.5648365 -1.1698799 -0.6937245), wk = 0.0038610 k( 252) = ( 0.5972548 -1.1598027 -0.6877489), wk = 0.0038610 k( 253) = ( 0.6296731 -1.1497254 -0.6817732), wk = 0.0038610 k( 254) = ( 0.6620914 -1.1396482 -0.6757975), wk = 0.0038610 k( 255) = ( 0.6945096 -1.1295710 -0.6698218), wk = 0.0038610 k( 256) = ( 0.7269279 -1.1194938 -0.6638462), wk = 0.0038610 k( 257) = ( 0.7593462 -1.1094166 -0.6578705), wk = 0.0038610 k( 258) = ( 0.7917644 -1.0993393 -0.6518948), wk = 0.0038610 k( 259) = ( 0.8241827 -1.0892621 -0.6459192), wk = 0.0038610 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038610 k( 2) = ( 0.0121951 -0.0000000 -0.0000000), wk = 0.0038610 k( 3) = ( 0.0243902 -0.0000000 -0.0000000), wk = 0.0038610 k( 4) = ( 0.0365854 -0.0000000 0.0000000), wk = 0.0038610 k( 5) = ( 0.0487805 -0.0000000 -0.0000000), wk = 0.0038610 k( 6) = ( 0.0609756 -0.0000000 -0.0000000), wk = 0.0038610 k( 7) = ( 0.0731707 -0.0000000 0.0000000), wk = 0.0038610 k( 8) = ( 0.0853658 -0.0000000 -0.0000000), wk = 0.0038610 k( 9) = ( 0.0975610 -0.0000000 -0.0000000), wk = 0.0038610 k( 10) = ( 0.1097561 0.0000000 -0.0000000), wk = 0.0038610 k( 11) = ( 0.1219512 -0.0000000 -0.0000000), wk = 0.0038610 k( 12) = ( 0.1341463 -0.0000000 -0.0000000), wk = 0.0038610 k( 13) = ( 0.1463415 -0.0000000 0.0000000), wk = 0.0038610 k( 14) = ( 0.1585366 -0.0000000 -0.0000000), wk = 0.0038610 k( 15) = ( 0.1707317 -0.0000000 -0.0000000), wk = 0.0038610 k( 16) = ( 0.1829268 -0.0000000 -0.0000000), wk = 0.0038610 k( 17) = ( 0.1951219 -0.0000000 -0.0000000), wk = 0.0038610 k( 18) = ( 0.2073171 0.0000000 -0.0000000), wk = 0.0038610 k( 19) = ( 0.2195122 0.0000000 -0.0000000), wk = 0.0038610 k( 20) = ( 0.2317073 -0.0000000 -0.0000000), wk = 0.0038610 k( 21) = ( 0.2439024 -0.0000000 -0.0000000), wk = 0.0038610 k( 22) = ( 0.2560976 0.0000000 -0.0000000), wk = 0.0038610 k( 23) = ( 0.2682927 -0.0000000 -0.0000000), wk = 0.0038610 k( 24) = ( 0.2804878 -0.0000000 -0.0000000), wk = 0.0038610 k( 25) = ( 0.2926829 -0.0000000 -0.0000000), wk = 0.0038610 k( 26) = ( 0.3048781 -0.0000000 -0.0000000), wk = 0.0038610 k( 27) = ( 0.3170732 -0.0000000 0.0000000), wk = 0.0038610 k( 28) = ( 0.3292683 -0.0000000 -0.0000000), wk = 0.0038610 k( 29) = ( 0.3414634 -0.0000000 -0.0000000), wk = 0.0038610 k( 30) = ( 0.3536585 -0.0000000 -0.0000000), wk = 0.0038610 k( 31) = ( 0.3658537 -0.0000000 -0.0000000), wk = 0.0038610 k( 32) = ( 0.3780488 -0.0000000 -0.0000000), wk = 0.0038610 k( 33) = ( 0.3902439 -0.0000000 -0.0000000), wk = 0.0038610 k( 34) = ( 0.4024390 -0.0000000 -0.0000000), wk = 0.0038610 k( 35) = ( 0.4146341 -0.0000000 -0.0000000), wk = 0.0038610 k( 36) = ( 0.4268293 -0.0000000 -0.0000000), wk = 0.0038610 k( 37) = ( 0.4390244 -0.0000000 -0.0000000), wk = 0.0038610 k( 38) = ( 0.4512195 0.0000000 0.0000000), wk = 0.0038610 k( 39) = ( 0.4634146 -0.0000000 -0.0000000), wk = 0.0038610 k( 40) = ( 0.4756098 0.0000000 -0.0000000), wk = 0.0038610 k( 41) = ( 0.4878049 -0.0000000 -0.0000000), wk = 0.0038610 k( 42) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0038610 k( 43) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0038610 k( 44) = ( 0.5000000 0.0070327 -0.0070327), wk = 0.0038610 k( 45) = ( 0.5000000 0.0140654 -0.0140654), wk = 0.0038610 k( 46) = ( 0.5000000 0.0210981 -0.0210981), wk = 0.0038610 k( 47) = ( 0.5000000 0.0281308 -0.0281308), wk = 0.0038610 k( 48) = ( 0.5000000 0.0351635 -0.0351635), wk = 0.0038610 k( 49) = ( 0.5000000 0.0421961 -0.0421962), wk = 0.0038610 k( 50) = ( 0.5000000 0.0492288 -0.0492288), wk = 0.0038610 k( 51) = ( 0.5000000 0.0562615 -0.0562615), wk = 0.0038610 k( 52) = ( 0.5000000 0.0632942 -0.0632942), wk = 0.0038610 k( 53) = ( 0.5000000 0.0703269 -0.0703269), wk = 0.0038610 k( 54) = ( 0.5000000 0.0773596 -0.0773596), wk = 0.0038610 k( 55) = ( 0.5000000 0.0843923 -0.0843923), wk = 0.0038610 k( 56) = ( 0.5000000 0.0914250 -0.0914250), wk = 0.0038610 k( 57) = ( 0.5000000 0.0984577 -0.0984577), wk = 0.0038610 k( 58) = ( 0.5000000 0.1054904 -0.1054904), wk = 0.0038610 k( 59) = ( 0.5000000 0.1125231 -0.1125231), wk = 0.0038610 k( 60) = ( 0.5000000 0.1195557 -0.1195558), wk = 0.0038610 k( 61) = ( 0.5000000 0.1265884 -0.1265884), wk = 0.0038610 k( 62) = ( 0.5000000 0.1336211 -0.1336211), wk = 0.0038610 k( 63) = ( 0.5000000 0.1406538 -0.1406538), wk = 0.0038610 k( 64) = ( 0.5000000 0.1476865 -0.1476865), wk = 0.0038610 k( 65) = ( 0.5000000 0.1547192 -0.1547192), wk = 0.0038610 k( 66) = ( 0.5000000 0.1617519 -0.1617519), wk = 0.0038610 k( 67) = ( 0.5000000 0.1687846 -0.1687846), wk = 0.0038610 k( 68) = ( 0.5000000 0.1758173 -0.1758173), wk = 0.0038610 k( 69) = ( 0.8241827 0.5000000 0.1758173), wk = 0.0038610 k( 70) = ( 0.8169787 0.5000000 0.1830213), wk = 0.0038610 k( 71) = ( 0.8097746 0.5000000 0.1902254), wk = 0.0038610 k( 72) = ( 0.8025705 0.5000000 0.1974295), wk = 0.0038610 k( 73) = ( 0.7953665 0.5000000 0.2046335), wk = 0.0038610 k( 74) = ( 0.7881624 0.5000000 0.2118376), wk = 0.0038610 k( 75) = ( 0.7809584 0.5000000 0.2190416), wk = 0.0038610 k( 76) = ( 0.7737543 0.5000000 0.2262457), wk = 0.0038610 k( 77) = ( 0.7665502 0.5000000 0.2334498), wk = 0.0038610 k( 78) = ( 0.7593462 0.5000000 0.2406538), wk = 0.0038610 k( 79) = ( 0.7521421 0.5000000 0.2478579), wk = 0.0038610 k( 80) = ( 0.7449381 0.5000000 0.2550619), wk = 0.0038610 k( 81) = ( 0.7377340 0.5000000 0.2622660), wk = 0.0038610 k( 82) = ( 0.7305299 0.5000000 0.2694701), wk = 0.0038610 k( 83) = ( 0.7233259 0.5000000 0.2766741), wk = 0.0038610 k( 84) = ( 0.7161218 0.5000000 0.2838782), wk = 0.0038610 k( 85) = ( 0.7089178 0.5000000 0.2910822), wk = 0.0038610 k( 86) = ( 0.7017137 0.5000000 0.2982863), wk = 0.0038610 k( 87) = ( 0.6945096 0.5000000 0.3054904), wk = 0.0038610 k( 88) = ( 0.6873056 0.5000000 0.3126944), wk = 0.0038610 k( 89) = ( 0.6801015 0.5000000 0.3198985), wk = 0.0038610 k( 90) = ( 0.6728975 0.5000000 0.3271025), wk = 0.0038610 k( 91) = ( 0.6656934 0.5000000 0.3343066), wk = 0.0038610 k( 92) = ( 0.6584893 0.5000000 0.3415107), wk = 0.0038610 k( 93) = ( 0.6512853 0.5000000 0.3487147), wk = 0.0038610 k( 94) = ( 0.6440812 0.5000000 0.3559188), wk = 0.0038610 k( 95) = ( 0.6368772 0.5000000 0.3631228), wk = 0.0038610 k( 96) = ( 0.6296731 0.5000000 0.3703269), wk = 0.0038610 k( 97) = ( 0.6224690 0.5000000 0.3775310), wk = 0.0038610 k( 98) = ( 0.6152650 0.5000000 0.3847350), wk = 0.0038610 k( 99) = ( 0.6080609 0.5000000 0.3919391), wk = 0.0038610 k( 100) = ( 0.6008568 0.5000000 0.3991431), wk = 0.0038610 k( 101) = ( 0.5936528 0.5000000 0.4063472), wk = 0.0038610 k( 102) = ( 0.5864487 0.5000000 0.4135513), wk = 0.0038610 k( 103) = ( 0.5792447 0.5000000 0.4207553), wk = 0.0038610 k( 104) = ( 0.5720406 0.5000000 0.4279594), wk = 0.0038610 k( 105) = ( 0.5648365 0.5000000 0.4351635), wk = 0.0038610 k( 106) = ( 0.5576325 0.5000000 0.4423675), wk = 0.0038610 k( 107) = ( 0.5504284 0.5000000 0.4495716), wk = 0.0038610 k( 108) = ( 0.5432244 0.5000000 0.4567756), wk = 0.0038610 k( 109) = ( 0.5360203 0.5000000 0.4639797), wk = 0.0038610 k( 110) = ( 0.5288162 0.5000000 0.4711838), wk = 0.0038610 k( 111) = ( 0.5216122 0.5000000 0.4783878), wk = 0.0038610 k( 112) = ( 0.5144081 0.5000000 0.4855919), wk = 0.0038610 k( 113) = ( 0.5072041 0.5000000 0.4927959), wk = 0.0038610 k( 114) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038610 k( 115) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038610 k( 116) = ( 0.4666667 0.4666667 0.4666667), wk = 0.0038610 k( 117) = ( 0.4333333 0.4333333 0.4333333), wk = 0.0038610 k( 118) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0038610 k( 119) = ( 0.3666667 0.3666667 0.3666667), wk = 0.0038610 k( 120) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0038610 k( 121) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0038610 k( 122) = ( 0.2666667 0.2666667 0.2666667), wk = 0.0038610 k( 123) = ( 0.2333333 0.2333333 0.2333333), wk = 0.0038610 k( 124) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0038610 k( 125) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0038610 k( 126) = ( 0.1333333 0.1333333 0.1333333), wk = 0.0038610 k( 127) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0038610 k( 128) = ( 0.0666667 0.0666667 0.0666667), wk = 0.0038610 k( 129) = ( 0.0333333 0.0333333 0.0333333), wk = 0.0038610 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038610 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038610 k( 132) = ( 0.0071896 -0.0000000 -0.0071896), wk = 0.0038610 k( 133) = ( 0.0143791 -0.0000000 -0.0143791), wk = 0.0038610 k( 134) = ( 0.0215686 -0.0000000 -0.0215686), wk = 0.0038610 k( 135) = ( 0.0287582 -0.0000000 -0.0287582), wk = 0.0038610 k( 136) = ( 0.0359477 -0.0000000 -0.0359477), wk = 0.0038610 k( 137) = ( 0.0431373 -0.0000000 -0.0431373), wk = 0.0038610 k( 138) = ( 0.0503268 -0.0000000 -0.0503268), wk = 0.0038610 k( 139) = ( 0.0575164 -0.0000000 -0.0575164), wk = 0.0038610 k( 140) = ( 0.0647059 0.0000000 -0.0647059), wk = 0.0038610 k( 141) = ( 0.0718955 -0.0000000 -0.0718955), wk = 0.0038610 k( 142) = ( 0.0790850 0.0000000 -0.0790850), wk = 0.0038610 k( 143) = ( 0.0862746 -0.0000000 -0.0862746), wk = 0.0038610 k( 144) = ( 0.0934641 -0.0000000 -0.0934641), wk = 0.0038610 k( 145) = ( 0.1006536 -0.0000000 -0.1006536), wk = 0.0038610 k( 146) = ( 0.1078432 -0.0000000 -0.1078432), wk = 0.0038610 k( 147) = ( 0.1150327 -0.0000000 -0.1150327), wk = 0.0038610 k( 148) = ( 0.1222223 0.0000000 -0.1222223), wk = 0.0038610 k( 149) = ( 0.1294118 0.0000000 -0.1294118), wk = 0.0038610 k( 150) = ( 0.1366014 -0.0000000 -0.1366014), wk = 0.0038610 k( 151) = ( 0.1437909 -0.0000000 -0.1437909), wk = 0.0038610 k( 152) = ( 0.1509805 -0.0000000 -0.1509805), wk = 0.0038610 k( 153) = ( 0.1581700 0.0000000 -0.1581700), wk = 0.0038610 k( 154) = ( 0.1653595 -0.0000000 -0.1653596), wk = 0.0038610 k( 155) = ( 0.1725491 -0.0000000 -0.1725491), wk = 0.0038610 k( 156) = ( 0.1797386 -0.0000000 -0.1797386), wk = 0.0038610 k( 157) = ( 0.1869282 -0.0000000 -0.1869282), wk = 0.0038610 k( 158) = ( 0.1941177 -0.0000000 -0.1941177), wk = 0.0038610 k( 159) = ( 0.2013073 -0.0000000 -0.2013073), wk = 0.0038610 k( 160) = ( 0.2084968 -0.0000000 -0.2084968), wk = 0.0038610 k( 161) = ( 0.2156864 -0.0000000 -0.2156864), wk = 0.0038610 k( 162) = ( 0.2228759 -0.0000000 -0.2228759), wk = 0.0038610 k( 163) = ( 0.2300655 -0.0000000 -0.2300655), wk = 0.0038610 k( 164) = ( 0.2372550 -0.0000000 -0.2372550), wk = 0.0038610 k( 165) = ( 0.2444446 0.0000000 -0.2444446), wk = 0.0038610 k( 166) = ( 0.2516341 -0.0000000 -0.2516341), wk = 0.0038610 k( 167) = ( 0.2588236 0.0000000 -0.2588236), wk = 0.0038610 k( 168) = ( 0.2660132 -0.0000000 -0.2660132), wk = 0.0038610 k( 169) = ( 0.2732027 -0.0000000 -0.2732027), wk = 0.0038610 k( 170) = ( 0.2803923 -0.0000000 -0.2803923), wk = 0.0038610 k( 171) = ( 0.2875818 -0.0000000 -0.2875818), wk = 0.0038610 k( 172) = ( 0.2947714 -0.0000000 -0.2947714), wk = 0.0038610 k( 173) = ( 0.3019609 -0.0000000 -0.3019609), wk = 0.0038610 k( 174) = ( 0.3091505 -0.0000000 -0.3091505), wk = 0.0038610 k( 175) = ( 0.3163400 0.0000000 -0.3163400), wk = 0.0038610 k( 176) = ( 0.3235295 -0.0000000 -0.3235296), wk = 0.0038610 k( 177) = ( 0.3307191 -0.0000000 -0.3307191), wk = 0.0038610 k( 178) = ( 0.3379086 -0.0000000 -0.3379086), wk = 0.0038610 k( 179) = ( 0.6620914 0.3379086 -0.0000000), wk = 0.0038610 k( 180) = ( 0.6550439 0.3449561 -0.0000000), wk = 0.0038610 k( 181) = ( 0.6479965 0.3520035 -0.0000000), wk = 0.0038610 k( 182) = ( 0.6409490 0.3590510 -0.0000000), wk = 0.0038610 k( 183) = ( 0.6339016 0.3660984 -0.0000000), wk = 0.0038610 k( 184) = ( 0.6268541 0.3731459 -0.0000000), wk = 0.0038610 k( 185) = ( 0.6198067 0.3801933 0.0000000), wk = 0.0038610 k( 186) = ( 0.6127592 0.3872408 -0.0000000), wk = 0.0038610 k( 187) = ( 0.6057118 0.3942882 -0.0000000), wk = 0.0038610 k( 188) = ( 0.5986643 0.4013357 -0.0000000), wk = 0.0038610 k( 189) = ( 0.5916169 0.4083831 -0.0000000), wk = 0.0038610 k( 190) = ( 0.5845694 0.4154306 0.0000000), wk = 0.0038610 k( 191) = ( 0.5775219 0.4224780 0.0000000), wk = 0.0038610 k( 192) = ( 0.5704745 0.4295255 -0.0000000), wk = 0.0038610 k( 193) = ( 0.5634271 0.4365729 -0.0000000), wk = 0.0038610 k( 194) = ( 0.5563796 0.4436204 -0.0000000), wk = 0.0038610 k( 195) = ( 0.5493322 0.4506678 -0.0000000), wk = 0.0038610 k( 196) = ( 0.5422847 0.4577153 -0.0000000), wk = 0.0038610 k( 197) = ( 0.5352372 0.4647628 -0.0000000), wk = 0.0038610 k( 198) = ( 0.5281898 0.4718102 -0.0000000), wk = 0.0038610 k( 199) = ( 0.5211423 0.4788576 -0.0000000), wk = 0.0038610 k( 200) = ( 0.5140949 0.4859051 -0.0000000), wk = 0.0038610 k( 201) = ( 0.5070474 0.4929525 -0.0000000), wk = 0.0038610 k( 202) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0038610 k( 203) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0038610 k( 204) = ( 0.5324183 0.5324183 0.0351635), wk = 0.0038610 k( 205) = ( 0.5648365 0.5648365 0.0703269), wk = 0.0038610 k( 206) = ( 0.5972548 0.5972548 0.1054904), wk = 0.0038610 k( 207) = ( 0.6296731 0.6296731 0.1406538), wk = 0.0038610 k( 208) = ( 0.6620914 0.6620914 0.1758173), wk = 0.0038610 k( 209) = ( 0.6620914 0.6620914 0.1758173), wk = 0.0038610 k( 210) = ( 0.6579352 0.6579352 0.1841297), wk = 0.0038610 k( 211) = ( 0.6537790 0.6537790 0.1924420), wk = 0.0038610 k( 212) = ( 0.6496228 0.6496228 0.2007544), wk = 0.0038610 k( 213) = ( 0.6454666 0.6454666 0.2090668), wk = 0.0038610 k( 214) = ( 0.6413104 0.6413104 0.2173792), wk = 0.0038610 k( 215) = ( 0.6371542 0.6371542 0.2256915), wk = 0.0038610 k( 216) = ( 0.6329980 0.6329980 0.2340039), wk = 0.0038610 k( 217) = ( 0.6288419 0.6288419 0.2423163), wk = 0.0038610 k( 218) = ( 0.6246857 0.6246857 0.2506287), wk = 0.0038610 k( 219) = ( 0.6205295 0.6205295 0.2589411), wk = 0.0038610 k( 220) = ( 0.6163733 0.6163733 0.2672534), wk = 0.0038610 k( 221) = ( 0.6122171 0.6122171 0.2755658), wk = 0.0038610 k( 222) = ( 0.6080609 0.6080609 0.2838782), wk = 0.0038610 k( 223) = ( 0.6039047 0.6039047 0.2921906), wk = 0.0038610 k( 224) = ( 0.5997485 0.5997485 0.3005029), wk = 0.0038610 k( 225) = ( 0.5955923 0.5955923 0.3088153), wk = 0.0038610 k( 226) = ( 0.5914362 0.5914361 0.3171277), wk = 0.0038610 k( 227) = ( 0.5872800 0.5872800 0.3254401), wk = 0.0038610 k( 228) = ( 0.5831238 0.5831238 0.3337524), wk = 0.0038610 k( 229) = ( 0.5789676 0.5789676 0.3420648), wk = 0.0038610 k( 230) = ( 0.5748114 0.5748114 0.3503772), wk = 0.0038610 k( 231) = ( 0.5706552 0.5706552 0.3586896), wk = 0.0038610 k( 232) = ( 0.5664990 0.5664990 0.3670020), wk = 0.0038610 k( 233) = ( 0.5623428 0.5623428 0.3753143), wk = 0.0038610 k( 234) = ( 0.5581866 0.5581866 0.3836267), wk = 0.0038610 k( 235) = ( 0.5540304 0.5540304 0.3919391), wk = 0.0038610 k( 236) = ( 0.5498743 0.5498743 0.4002515), wk = 0.0038610 k( 237) = ( 0.5457181 0.5457181 0.4085639), wk = 0.0038610 k( 238) = ( 0.5415619 0.5415619 0.4168762), wk = 0.0038610 k( 239) = ( 0.5374057 0.5374057 0.4251886), wk = 0.0038610 k( 240) = ( 0.5332495 0.5332495 0.4335010), wk = 0.0038610 k( 241) = ( 0.5290933 0.5290933 0.4418134), wk = 0.0038610 k( 242) = ( 0.5249371 0.5249371 0.4501257), wk = 0.0038610 k( 243) = ( 0.5207809 0.5207809 0.4584381), wk = 0.0038610 k( 244) = ( 0.5166247 0.5166247 0.4667505), wk = 0.0038610 k( 245) = ( 0.5124686 0.5124686 0.4750629), wk = 0.0038610 k( 246) = ( 0.5083124 0.5083124 0.4833752), wk = 0.0038610 k( 247) = ( 0.5041562 0.5041562 0.4916876), wk = 0.0038610 k( 248) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038610 k( 249) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0038610 k( 250) = ( 0.5324183 0.0337909 0.0337909), wk = 0.0038610 k( 251) = ( 0.5648365 0.0675817 0.0675817), wk = 0.0038610 k( 252) = ( 0.5972548 0.1013726 0.1013726), wk = 0.0038610 k( 253) = ( 0.6296731 0.1351635 0.1351635), wk = 0.0038610 k( 254) = ( 0.6620914 0.1689543 0.1689543), wk = 0.0038610 k( 255) = ( 0.6945096 0.2027452 0.2027452), wk = 0.0038610 k( 256) = ( 0.7269279 0.2365360 0.2365360), wk = 0.0038610 k( 257) = ( 0.7593462 0.2703269 0.2703269), wk = 0.0038610 k( 258) = ( 0.7917644 0.3041178 0.3041178), wk = 0.0038610 k( 259) = ( 0.8241827 0.3379086 0.3379086), wk = 0.0038610 Dense grid: 102939 G-vectors FFT dimensions: ( 120, 120, 120) Smooth grid: 64157 G-vectors FFT dimensions: ( 100, 100, 100) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.41 Mb ( 458, 58) NL pseudopotentials 0.57 Mb ( 229, 164) Each V/rho on FFT grid 0.88 Mb ( 57600) Each G-vector array 0.02 Mb ( 2860) G-vector shells 0.02 Mb ( 2386) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.62 Mb ( 458, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.29 Mb ( 164, 2, 58) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Ca3SiBr2.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 8.4 secs Computing kpt #: 2 total cpu time spent up to now is 12.4 secs Computing kpt #: 3 total cpu time spent up to now is 16.4 secs Computing kpt #: 4 total cpu time spent up to now is 20.0 secs Computing kpt #: 5 total cpu time spent up to now is 23.6 secs Computing kpt #: 6 total cpu time spent up to now is 27.6 secs Computing kpt #: 7 total cpu time spent up to now is 31.1 secs Computing kpt #: 8 total cpu time spent up to now is 34.8 secs Computing kpt #: 9 total cpu time spent up to now is 38.4 secs Computing kpt #: 10 total cpu time spent up to now is 42.0 secs Computing kpt #: 11 total cpu time spent up to now is 45.6 secs Computing kpt #: 12 total cpu time spent up to now is 49.2 secs Computing kpt #: 13 total cpu time spent up to now is 52.8 secs Computing kpt #: 14 total cpu time spent up to now is 56.8 secs Computing kpt #: 15 total cpu time spent up to now is 60.9 secs Computing kpt #: 16 total cpu time spent up to now is 64.9 secs Computing kpt #: 17 total cpu time spent up to now is 68.9 secs Computing kpt #: 18 total cpu time spent up to now is 72.9 secs Computing kpt #: 19 total cpu time spent up to now is 76.9 secs Computing kpt #: 20 total cpu time spent up to now is 80.8 secs Computing kpt #: 21 total cpu time spent up to now is 84.8 secs Computing kpt #: 22 total cpu time spent up to now is 88.9 secs Computing kpt #: 23 total cpu time spent up to now is 94.0 secs Computing kpt #: 24 total cpu time spent up to now is 98.7 secs Computing kpt #: 25 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 105.0 secs Computing kpt #: 26 total cpu time spent up to now is 109.1 secs Computing kpt #: 27 total cpu time spent up to now is 113.8 secs Computing kpt #: 28 total cpu time spent up to now is 117.8 secs Computing kpt #: 29 total cpu time spent up to now is 121.8 secs Computing kpt #: 30 total cpu time spent up to now is 125.8 secs Computing kpt #: 31 total cpu time spent up to now is 129.9 secs Computing kpt #: 32 total cpu time spent up to now is 134.0 secs Computing kpt #: 33 total cpu time spent up to now is 137.6 secs Computing kpt #: 34 total cpu time spent up to now is 141.7 secs Computing kpt #: 35 total cpu time spent up to now is 145.7 secs Computing kpt #: 36 total cpu time spent up to now is 149.8 secs Computing kpt #: 37 total cpu time spent up to now is 153.8 secs Computing kpt #: 38 total cpu time spent up to now is 157.8 secs Computing kpt #: 39 total cpu time spent up to now is 161.8 secs Computing kpt #: 40 total cpu time spent up to now is 165.9 secs Computing kpt #: 41 total cpu time spent up to now is 169.9 secs Computing kpt #: 42 total cpu time spent up to now is 173.9 secs Computing kpt #: 43 total cpu time spent up to now is 177.9 secs Computing kpt #: 44 total cpu time spent up to now is 181.9 secs Computing kpt #: 45 total cpu time spent up to now is 185.6 secs Computing kpt #: 46 total cpu time spent up to now is 189.3 secs Computing kpt #: 47 total cpu time spent up to now is 192.9 secs Computing kpt #: 48 total cpu time spent up to now is 196.5 secs Computing kpt #: 49 total cpu time spent up to now is 200.2 secs Computing kpt #: 50 total cpu time spent up to now is 204.3 secs Computing kpt #: 51 total cpu time spent up to now is 207.9 secs Computing kpt #: 52 total cpu time spent up to now is 212.0 secs Computing kpt #: 53 total cpu time spent up to now is 215.7 secs Computing kpt #: 54 total cpu time spent up to now is 219.7 secs Computing kpt #: 55 total cpu time spent up to now is 223.9 secs Computing kpt #: 56 total cpu time spent up to now is 228.3 secs Computing kpt #: 57 total cpu time spent up to now is 232.5 secs Computing kpt #: 58 total cpu time spent up to now is 236.5 secs Computing kpt #: 59 total cpu time spent up to now is 240.7 secs Computing kpt #: 60 total cpu time spent up to now is 244.7 secs Computing kpt #: 61 total cpu time spent up to now is 248.8 secs Computing kpt #: 62 total cpu time spent up to now is 253.0 secs Computing kpt #: 63 total cpu time spent up to now is 257.3 secs Computing kpt #: 64 total cpu time spent up to now is 261.5 secs Computing kpt #: 65 total cpu time spent up to now is 265.7 secs Computing kpt #: 66 total cpu time spent up to now is 269.9 secs Computing kpt #: 67 total cpu time spent up to now is 274.3 secs Computing kpt #: 68 total cpu time spent up to now is 278.5 secs Computing kpt #: 69 total cpu time spent up to now is 282.7 secs Computing kpt #: 70 total cpu time spent up to now is 287.4 secs Computing kpt #: 71 total cpu time spent up to now is 291.6 secs Computing kpt #: 72 total cpu time spent up to now is 295.9 secs Computing kpt #: 73 total cpu time spent up to now is 300.8 secs Computing kpt #: 74 total cpu time spent up to now is 305.7 secs Computing kpt #: 75 total cpu time spent up to now is 310.8 secs Computing kpt #: 76 total cpu time spent up to now is 316.3 secs Computing kpt #: 77 total cpu time spent up to now is 321.2 secs Computing kpt #: 78 total cpu time spent up to now is 326.7 secs Computing kpt #: 79 total cpu time spent up to now is 332.7 secs Computing kpt #: 80 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 338.9 secs Computing kpt #: 81 total cpu time spent up to now is 343.7 secs Computing kpt #: 82 total cpu time spent up to now is 348.4 secs Computing kpt #: 83 total cpu time spent up to now is 353.8 secs Computing kpt #: 84 total cpu time spent up to now is 358.6 secs Computing kpt #: 85 total cpu time spent up to now is 363.3 secs Computing kpt #: 86 total cpu time spent up to now is 368.0 secs Computing kpt #: 87 total cpu time spent up to now is 372.6 secs Computing kpt #: 88 total cpu time spent up to now is 377.3 secs Computing kpt #: 89 total cpu time spent up to now is 381.8 secs Computing kpt #: 90 total cpu time spent up to now is 386.4 secs Computing kpt #: 91 total cpu time spent up to now is 390.5 secs Computing kpt #: 92 total cpu time spent up to now is 394.5 secs Computing kpt #: 93 total cpu time spent up to now is 398.5 secs Computing kpt #: 94 total cpu time spent up to now is 403.5 secs Computing kpt #: 95 total cpu time spent up to now is 407.6 secs Computing kpt #: 96 total cpu time spent up to now is 411.6 secs Computing kpt #: 97 total cpu time spent up to now is 415.7 secs Computing kpt #: 98 total cpu time spent up to now is 419.8 secs Computing kpt #: 99 total cpu time spent up to now is 423.9 secs Computing kpt #: 100 total cpu time spent up to now is 427.9 secs Computing kpt #: 101 total cpu time spent up to now is 432.0 secs Computing kpt #: 102 total cpu time spent up to now is 436.1 secs Computing kpt #: 103 total cpu time spent up to now is 440.1 secs Computing kpt #: 104 total cpu time spent up to now is 443.8 secs Computing kpt #: 105 total cpu time spent up to now is 447.5 secs Computing kpt #: 106 total cpu time spent up to now is 451.2 secs Computing kpt #: 107 total cpu time spent up to now is 454.8 secs Computing kpt #: 108 total cpu time spent up to now is 458.5 secs Computing kpt #: 109 total cpu time spent up to now is 462.1 secs Computing kpt #: 110 total cpu time spent up to now is 465.8 secs Computing kpt #: 111 total cpu time spent up to now is 469.4 secs Computing kpt #: 112 total cpu time spent up to now is 473.4 secs Computing kpt #: 113 total cpu time spent up to now is 477.0 secs Computing kpt #: 114 total cpu time spent up to now is 480.6 secs Computing kpt #: 115 total cpu time spent up to now is 484.6 secs Computing kpt #: 116 total cpu time spent up to now is 488.3 secs Computing kpt #: 117 total cpu time spent up to now is 491.8 secs Computing kpt #: 118 total cpu time spent up to now is 495.4 secs Computing kpt #: 119 total cpu time spent up to now is 499.0 secs Computing kpt #: 120 total cpu time spent up to now is 502.7 secs Computing kpt #: 121 total cpu time spent up to now is 506.6 secs Computing kpt #: 122 total cpu time spent up to now is 510.6 secs Computing kpt #: 123 total cpu time spent up to now is 514.5 secs Computing kpt #: 124 total cpu time spent up to now is 518.5 secs Computing kpt #: 125 total cpu time spent up to now is 522.4 secs Computing kpt #: 126 total cpu time spent up to now is 527.0 secs Computing kpt #: 127 total cpu time spent up to now is 530.9 secs Computing kpt #: 128 total cpu time spent up to now is 534.8 secs Computing kpt #: 129 total cpu time spent up to now is 538.7 secs Computing kpt #: 130 total cpu time spent up to now is 542.6 secs Computing kpt #: 131 total cpu time spent up to now is 546.5 secs Computing kpt #: 132 total cpu time spent up to now is 550.4 secs Computing kpt #: 133 total cpu time spent up to now is 554.3 secs Computing kpt #: 134 total cpu time spent up to now is 558.3 secs Computing kpt #: 135 total cpu time spent up to now is 561.9 secs Computing kpt #: 136 total cpu time spent up to now is 565.5 secs Computing kpt #: 137 total cpu time spent up to now is 569.5 secs Computing kpt #: 138 total cpu time spent up to now is 573.1 secs Computing kpt #: 139 total cpu time spent up to now is 576.7 secs Computing kpt #: 140 total cpu time spent up to now is 580.4 secs Computing kpt #: 141 total cpu time spent up to now is 584.0 secs Computing kpt #: 142 total cpu time spent up to now is 587.6 secs Computing kpt #: 143 total cpu time spent up to now is 591.3 secs Computing kpt #: 144 total cpu time spent up to now is 595.4 secs Computing kpt #: 145 total cpu time spent up to now is 599.1 secs Computing kpt #: 146 total cpu time spent up to now is 603.2 secs Computing kpt #: 147 total cpu time spent up to now is 607.2 secs Computing kpt #: 148 total cpu time spent up to now is 611.3 secs Computing kpt #: 149 total cpu time spent up to now is 615.4 secs Computing kpt #: 150 total cpu time spent up to now is 619.5 secs Computing kpt #: 151 total cpu time spent up to now is 623.5 secs Computing kpt #: 152 total cpu time spent up to now is 627.7 secs Computing kpt #: 153 total cpu time spent up to now is 631.9 secs Computing kpt #: 154 total cpu time spent up to now is 636.5 secs Computing kpt #: 155 total cpu time spent up to now is 641.4 secs Computing kpt #: 156 total cpu time spent up to now is 646.9 secs Computing kpt #: 157 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 652.9 secs Computing kpt #: 158 total cpu time spent up to now is 657.6 secs Computing kpt #: 159 total cpu time spent up to now is 661.6 secs Computing kpt #: 160 total cpu time spent up to now is 665.6 secs Computing kpt #: 161 total cpu time spent up to now is 669.6 secs Computing kpt #: 162 total cpu time spent up to now is 673.3 secs Computing kpt #: 163 total cpu time spent up to now is 677.4 secs Computing kpt #: 164 total cpu time spent up to now is 681.4 secs Computing kpt #: 165 total cpu time spent up to now is 685.5 secs Computing kpt #: 166 total cpu time spent up to now is 689.6 secs Computing kpt #: 167 total cpu time spent up to now is 693.8 secs Computing kpt #: 168 total cpu time spent up to now is 698.1 secs Computing kpt #: 169 total cpu time spent up to now is 702.9 secs Computing kpt #: 170 total cpu time spent up to now is 707.1 secs Computing kpt #: 171 total cpu time spent up to now is 712.0 secs Computing kpt #: 172 total cpu time spent up to now is 716.9 secs Computing kpt #: 173 total cpu time spent up to now is 721.9 secs Computing kpt #: 174 total cpu time spent up to now is 726.9 secs Computing kpt #: 175 total cpu time spent up to now is 731.7 secs Computing kpt #: 176 total cpu time spent up to now is 736.3 secs Computing kpt #: 177 total cpu time spent up to now is 741.0 secs Computing kpt #: 178 total cpu time spent up to now is 745.2 secs Computing kpt #: 179 total cpu time spent up to now is 749.5 secs Computing kpt #: 180 total cpu time spent up to now is 753.8 secs Computing kpt #: 181 total cpu time spent up to now is 759.3 secs Computing kpt #: 182 total cpu time spent up to now is 764.2 secs Computing kpt #: 183 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 770.4 secs Computing kpt #: 184 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 776.8 secs Computing kpt #: 185 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 783.1 secs Computing kpt #: 186 total cpu time spent up to now is 789.0 secs Computing kpt #: 187 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 795.1 secs Computing kpt #: 188 total cpu time spent up to now is 799.8 secs Computing kpt #: 189 total cpu time spent up to now is 804.0 secs Computing kpt #: 190 total cpu time spent up to now is 808.2 secs Computing kpt #: 191 total cpu time spent up to now is 811.9 secs Computing kpt #: 192 total cpu time spent up to now is 815.9 secs Computing kpt #: 193 total cpu time spent up to now is 819.6 secs Computing kpt #: 194 total cpu time spent up to now is 823.3 secs Computing kpt #: 195 total cpu time spent up to now is 827.7 secs Computing kpt #: 196 total cpu time spent up to now is 831.4 secs Computing kpt #: 197 total cpu time spent up to now is 835.1 secs Computing kpt #: 198 total cpu time spent up to now is 838.7 secs Computing kpt #: 199 total cpu time spent up to now is 842.3 secs Computing kpt #: 200 total cpu time spent up to now is 846.0 secs Computing kpt #: 201 total cpu time spent up to now is 849.6 secs Computing kpt #: 202 total cpu time spent up to now is 853.5 secs Computing kpt #: 203 total cpu time spent up to now is 857.5 secs Computing kpt #: 204 total cpu time spent up to now is 861.1 secs Computing kpt #: 205 total cpu time spent up to now is 864.8 secs Computing kpt #: 206 total cpu time spent up to now is 868.4 secs Computing kpt #: 207 total cpu time spent up to now is 872.1 secs Computing kpt #: 208 total cpu time spent up to now is 876.1 secs Computing kpt #: 209 total cpu time spent up to now is 880.1 secs Computing kpt #: 210 total cpu time spent up to now is 884.1 secs Computing kpt #: 211 total cpu time spent up to now is 887.7 secs Computing kpt #: 212 total cpu time spent up to now is 891.7 secs Computing kpt #: 213 total cpu time spent up to now is 897.3 secs Computing kpt #: 214 total cpu time spent up to now is 901.0 secs Computing kpt #: 215 total cpu time spent up to now is 904.7 secs Computing kpt #: 216 total cpu time spent up to now is 908.8 secs Computing kpt #: 217 total cpu time spent up to now is 912.5 secs Computing kpt #: 218 total cpu time spent up to now is 916.5 secs Computing kpt #: 219 total cpu time spent up to now is 920.6 secs Computing kpt #: 220 total cpu time spent up to now is 924.7 secs Computing kpt #: 221 total cpu time spent up to now is 928.9 secs Computing kpt #: 222 total cpu time spent up to now is 934.2 secs Computing kpt #: 223 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 940.5 secs Computing kpt #: 224 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 946.6 secs Computing kpt #: 225 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 952.5 secs Computing kpt #: 226 total cpu time spent up to now is 957.6 secs Computing kpt #: 227 total cpu time spent up to now is 962.2 secs Computing kpt #: 228 total cpu time spent up to now is 966.7 secs Computing kpt #: 229 total cpu time spent up to now is 970.7 secs Computing kpt #: 230 total cpu time spent up to now is 974.7 secs Computing kpt #: 231 total cpu time spent up to now is 978.7 secs Computing kpt #: 232 total cpu time spent up to now is 982.6 secs Computing kpt #: 233 total cpu time spent up to now is 986.6 secs Computing kpt #: 234 total cpu time spent up to now is 990.6 secs Computing kpt #: 235 total cpu time spent up to now is 994.6 secs Computing kpt #: 236 total cpu time spent up to now is 998.2 secs Computing kpt #: 237 total cpu time spent up to now is 1001.9 secs Computing kpt #: 238 total cpu time spent up to now is 1005.9 secs Computing kpt #: 239 total cpu time spent up to now is 1009.9 secs Computing kpt #: 240 total cpu time spent up to now is 1013.6 secs Computing kpt #: 241 total cpu time spent up to now is 1017.2 secs Computing kpt #: 242 total cpu time spent up to now is 1020.9 secs Computing kpt #: 243 total cpu time spent up to now is 1024.5 secs Computing kpt #: 244 total cpu time spent up to now is 1028.1 secs Computing kpt #: 245 total cpu time spent up to now is 1031.8 secs Computing kpt #: 246 total cpu time spent up to now is 1035.4 secs Computing kpt #: 247 total cpu time spent up to now is 1039.0 secs Computing kpt #: 248 total cpu time spent up to now is 1042.6 secs Computing kpt #: 249 total cpu time spent up to now is 1046.6 secs Computing kpt #: 250 total cpu time spent up to now is 1050.7 secs Computing kpt #: 251 total cpu time spent up to now is 1054.7 secs Computing kpt #: 252 total cpu time spent up to now is 1058.7 secs Computing kpt #: 253 total cpu time spent up to now is 1062.7 secs Computing kpt #: 254 total cpu time spent up to now is 1066.4 secs Computing kpt #: 255 total cpu time spent up to now is 1070.1 secs Computing kpt #: 256 total cpu time spent up to now is 1074.1 secs Computing kpt #: 257 total cpu time spent up to now is 1077.8 secs Computing kpt #: 258 total cpu time spent up to now is 1081.4 secs Computing kpt #: 259 total cpu time spent up to now is 1085.0 secs ethr = 2.08E-08, avg # of iterations = 50.4 total cpu time spent up to now is 1085.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8069 PWs) bands (ev): -37.6193 -37.6193 -35.6009 -35.6009 -35.5971 -35.5971 -18.8625 -18.8625 -18.4908 -18.4908 -18.4758 -18.4758 -16.8606 -16.8606 -16.8387 -16.8387 -16.5032 -16.5032 -16.4751 -16.4751 -16.4469 -16.4469 -16.4383 -16.4383 -11.4645 -11.4645 -11.3440 -11.3440 -0.9642 -0.9642 -0.1800 -0.1800 0.3785 0.3785 0.4625 0.4625 0.7153 0.7153 0.8492 0.8492 1.0345 1.0345 4.5204 4.5204 5.1343 5.1343 6.1549 6.1549 6.1721 6.1721 6.5057 6.5057 6.6015 6.6015 6.8280 6.8280 6.8293 6.8293 k = 0.0122-0.0290-0.0172 ( 8063 PWs) bands (ev): -37.6193 -37.6193 -35.6009 -35.6009 -35.5971 -35.5971 -18.8625 -18.8625 -18.4908 -18.4908 -18.4758 -18.4758 -16.8606 -16.8606 -16.8387 -16.8387 -16.5032 -16.5032 -16.4752 -16.4752 -16.4469 -16.4469 -16.4383 -16.4383 -11.4643 -11.4643 -11.3439 -11.3439 -0.9632 -0.9632 -0.1800 -0.1800 0.3760 0.3760 0.4637 0.4637 0.7145 0.7145 0.8489 0.8489 1.0331 1.0331 4.5209 4.5209 5.1372 5.1372 6.1526 6.1526 6.1701 6.1701 6.5064 6.5064 6.6022 6.6022 6.8286 6.8286 6.8304 6.8304 k = 0.0244-0.0581-0.0344 ( 8054 PWs) bands (ev): -37.6193 -37.6193 -35.6009 -35.6009 -35.5971 -35.5971 -18.8625 -18.8625 -18.4909 -18.4909 -18.4758 -18.4758 -16.8606 -16.8606 -16.8388 -16.8388 -16.5032 -16.5032 -16.4752 -16.4752 -16.4469 -16.4469 -16.4384 -16.4384 -11.4638 -11.4638 -11.3438 -11.3438 -0.9603 -0.9603 -0.1801 -0.1801 0.3690 0.3690 0.4668 0.4668 0.7119 0.7119 0.8479 0.8479 1.0290 1.0290 4.5226 4.5226 5.1458 5.1458 6.1443 6.1443 6.1658 6.1658 6.5085 6.5085 6.6042 6.6042 6.8296 6.8296 6.8344 6.8344 k = 0.0366-0.0871-0.0516 ( 8042 PWs) bands (ev): -37.6193 -37.6193 -35.6008 -35.6008 -35.5971 -35.5971 -18.8626 -18.8626 -18.4910 -18.4910 -18.4758 -18.4758 -16.8606 -16.8606 -16.8389 -16.8389 -16.5032 -16.5032 -16.4753 -16.4753 -16.4470 -16.4470 -16.4385 -16.4385 -11.4628 -11.4628 -11.3436 -11.3436 -0.9554 -0.9554 -0.1803 -0.1803 0.3583 0.3583 0.4710 0.4710 0.7077 0.7077 0.8462 0.8462 1.0223 1.0223 4.5255 4.5255 5.1597 5.1597 6.1283 6.1283 6.1615 6.1615 6.5120 6.5120 6.6071 6.6071 6.8311 6.8311 6.8413 6.8413 k = 0.0488-0.1161-0.0688 ( 8034 PWs) bands (ev): -37.6193 -37.6193 -35.6008 -35.6008 -35.5971 -35.5971 -18.8626 -18.8626 -18.4912 -18.4912 -18.4758 -18.4758 -16.8606 -16.8606 -16.8390 -16.8390 -16.5032 -16.5032 -16.4754 -16.4754 -16.4471 -16.4471 -16.4386 -16.4386 -11.4615 -11.4615 -11.3434 -11.3434 -0.9485 -0.9485 -0.1805 -0.1805 0.3449 0.3449 0.4754 0.4754 0.7018 0.7018 0.8438 0.8438 1.0133 1.0133 4.5297 4.5297 5.1785 5.1785 6.1055 6.1055 6.1572 6.1572 6.5171 6.5171 6.6103 6.6103 6.8332 6.8332 6.8508 6.8508 k = 0.0610-0.1451-0.0861 ( 8030 PWs) bands (ev): -37.6193 -37.6193 -35.6008 -35.6008 -35.5971 -35.5971 -18.8628 -18.8628 -18.4914 -18.4914 -18.4758 -18.4758 -16.8606 -16.8606 -16.8391 -16.8391 -16.5031 -16.5031 -16.4756 -16.4756 -16.4473 -16.4473 -16.4389 -16.4389 -11.4598 -11.4598 -11.3430 -11.3430 -0.9397 -0.9397 -0.1809 -0.1809 0.3292 0.3292 0.4796 0.4796 0.6942 0.6942 0.8404 0.8404 1.0024 1.0024 4.5352 4.5352 5.2012 5.2012 6.0774 6.0774 6.1526 6.1526 6.5238 6.5238 6.6131 6.6131 6.8362 6.8362 6.8629 6.8629 k = 0.0732-0.1742-0.1033 ( 8029 PWs) bands (ev): -37.6192 -37.6192 -35.6008 -35.6008 -35.5971 -35.5971 -18.8629 -18.8629 -18.4917 -18.4917 -18.4757 -18.4757 -16.8606 -16.8606 -16.8393 -16.8393 -16.5031 -16.5031 -16.4757 -16.4757 -16.4474 -16.4474 -16.4391 -16.4391 -11.4578 -11.4578 -11.3427 -11.3427 -0.9290 -0.9290 -0.1815 -0.1815 0.3118 0.3118 0.4831 0.4831 0.6849 0.6849 0.8360 0.8360 0.9901 0.9901 4.5421 4.5421 5.2270 5.2270 6.0457 6.0457 6.1475 6.1475 6.5322 6.5322 6.6148 6.6148 6.8405 6.8405 6.8774 6.8774 k = 0.0854-0.2032-0.1205 ( 8030 PWs) bands (ev): -37.6192 -37.6192 -35.6007 -35.6007 -35.5971 -35.5971 -18.8631 -18.8631 -18.4920 -18.4920 -18.4757 -18.4757 -16.8606 -16.8606 -16.8395 -16.8395 -16.5031 -16.5031 -16.4760 -16.4760 -16.4476 -16.4476 -16.4395 -16.4395 -11.4554 -11.4554 -11.3422 -11.3422 -0.9164 -0.9164 -0.1822 -0.1822 0.2928 0.2928 0.4858 0.4858 0.6739 0.6739 0.8304 0.8304 0.9768 0.9768 4.5506 4.5506 5.2542 5.2542 6.0122 6.0122 6.1418 6.1418 6.5422 6.5422 6.6151 6.6151 6.8464 6.8464 6.8942 6.8942 k = 0.0976-0.2322-0.1377 ( 8031 PWs) bands (ev): -37.6192 -37.6192 -35.6007 -35.6007 -35.5971 -35.5971 -18.8633 -18.8633 -18.4924 -18.4924 -18.4757 -18.4757 -16.8606 -16.8606 -16.8398 -16.8398 -16.5031 -16.5031 -16.4762 -16.4762 -16.4479 -16.4479 -16.4398 -16.4398 -11.4527 -11.4527 -11.3417 -11.3417 -0.9021 -0.9021 -0.1833 -0.1833 0.2725 0.2725 0.4875 0.4875 0.6614 0.6614 0.8234 0.8234 0.9632 0.9632 4.5607 4.5607 5.2811 5.2811 5.9789 5.9789 6.1355 6.1355 6.5533 6.5533 6.6138 6.6138 6.8542 6.8542 6.9130 6.9130 k = 0.1098-0.2612-0.1549 ( 8032 PWs) bands (ev): -37.6192 -37.6192 -35.6006 -35.6006 -35.5971 -35.5971 -18.8635 -18.8635 -18.4929 -18.4929 -18.4757 -18.4757 -16.8607 -16.8607 -16.8401 -16.8401 -16.5030 -16.5030 -16.4765 -16.4765 -16.4481 -16.4481 -16.4402 -16.4402 -11.4497 -11.4497 -11.3411 -11.3411 -0.8859 -0.8859 -0.1847 -0.1847 0.2511 0.2511 0.4881 0.4881 0.6474 0.6474 0.8151 0.8151 0.9497 0.9497 4.5724 4.5724 5.3051 5.3051 5.9484 5.9484 6.1288 6.1288 6.5639 6.5639 6.6126 6.6126 6.8641 6.8641 6.9338 6.9338 k = 0.1220-0.2903-0.1721 ( 8029 PWs) bands (ev): -37.6191 -37.6191 -35.6006 -35.6006 -35.5971 -35.5971 -18.8637 -18.8637 -18.4934 -18.4934 -18.4756 -18.4756 -16.8607 -16.8607 -16.8404 -16.8404 -16.5030 -16.5030 -16.4769 -16.4769 -16.4484 -16.4484 -16.4407 -16.4407 -11.4464 -11.4464 -11.3405 -11.3405 -0.8680 -0.8680 -0.1865 -0.1865 0.2286 0.2286 0.4874 0.4874 0.6322 0.6322 0.8054 0.8054 0.9366 0.9366 4.5857 4.5857 5.3231 5.3231 5.9236 5.9236 6.1216 6.1216 6.5699 6.5699 6.6157 6.6157 6.8762 6.8762 6.9564 6.9564 k = 0.1341-0.3193-0.1893 ( 8024 PWs) bands (ev): -37.6191 -37.6191 -35.6005 -35.6005 -35.5971 -35.5971 -18.8640 -18.8640 -18.4939 -18.4939 -18.4756 -18.4756 -16.8607 -16.8607 -16.8408 -16.8408 -16.5029 -16.5029 -16.4772 -16.4772 -16.4487 -16.4487 -16.4411 -16.4411 -11.4428 -11.4428 -11.3398 -11.3398 -0.8485 -0.8485 -0.1889 -0.1889 0.2052 0.2052 0.4852 0.4852 0.6163 0.6163 0.7943 0.7943 0.9242 0.9242 4.6008 4.6008 5.3317 5.3317 5.9077 5.9077 6.1140 6.1140 6.5670 6.5670 6.6278 6.6278 6.8903 6.8903 6.9806 6.9806 k = 0.1463-0.3483-0.2065 ( 8030 PWs) bands (ev): -37.6191 -37.6191 -35.6005 -35.6005 -35.5971 -35.5971 -18.8643 -18.8643 -18.4945 -18.4945 -18.4755 -18.4755 -16.8607 -16.8607 -16.8412 -16.8412 -16.5029 -16.5029 -16.4776 -16.4776 -16.4490 -16.4490 -16.4416 -16.4416 -11.4389 -11.4389 -11.3391 -11.3391 -0.8273 -0.8273 -0.1919 -0.1919 0.1810 0.1810 0.4813 0.4813 0.6002 0.6002 0.7821 0.7821 0.9126 0.9126 4.6176 4.6176 5.3281 5.3281 5.9032 5.9032 6.1061 6.1061 6.5573 6.5573 6.6471 6.6471 6.9062 6.9062 7.0063 7.0063 k = 0.1585-0.3773-0.2238 ( 8027 PWs) bands (ev): -37.6190 -37.6190 -35.6004 -35.6004 -35.5971 -35.5971 -18.8646 -18.8646 -18.4951 -18.4951 -18.4755 -18.4755 -16.8607 -16.8607 -16.8416 -16.8416 -16.5028 -16.5028 -16.4781 -16.4781 -16.4494 -16.4494 -16.4421 -16.4421 -11.4348 -11.4348 -11.3383 -11.3383 -0.8046 -0.8046 -0.1956 -0.1956 0.1560 0.1560 0.4753 0.4753 0.5845 0.5845 0.7691 0.7691 0.9016 0.9016 4.6361 4.6361 5.3112 5.3112 5.9108 5.9108 6.0980 6.0980 6.5444 6.5444 6.6710 6.6710 6.9237 6.9237 7.0333 7.0333 k = 0.1707-0.4064-0.2410 ( 8023 PWs) bands (ev): -37.6190 -37.6190 -35.6003 -35.6003 -35.5970 -35.5970 -18.8649 -18.8649 -18.4957 -18.4957 -18.4754 -18.4754 -16.8607 -16.8607 -16.8420 -16.8420 -16.5027 -16.5027 -16.4785 -16.4785 -16.4497 -16.4497 -16.4427 -16.4427 -11.4305 -11.4305 -11.3375 -11.3375 -0.7805 -0.7805 -0.2002 -0.2002 0.1305 0.1305 0.4670 0.4670 0.5700 0.5700 0.7555 0.7555 0.8912 0.8912 4.6561 4.6561 5.2818 5.2818 5.9289 5.9289 6.0897 6.0897 6.5303 6.5303 6.6983 6.6983 6.9425 6.9425 7.0615 7.0615 k = 0.1829-0.4354-0.2582 ( 8017 PWs) bands (ev): -37.6190 -37.6190 -35.6003 -35.6003 -35.5970 -35.5970 -18.8652 -18.8652 -18.4964 -18.4964 -18.4754 -18.4754 -16.8608 -16.8608 -16.8424 -16.8424 -16.5026 -16.5026 -16.4790 -16.4790 -16.4501 -16.4501 -16.4432 -16.4432 -11.4260 -11.4260 -11.3366 -11.3366 -0.7551 -0.7551 -0.2057 -0.2057 0.1044 0.1044 0.4563 0.4563 0.5573 0.5573 0.7415 0.7415 0.8811 0.8811 4.6776 4.6776 5.2421 5.2421 5.9546 5.9546 6.0811 6.0811 6.5163 6.5163 6.7284 6.7284 6.9624 6.9624 7.0907 7.0907 k = 0.1951-0.4644-0.2754 ( 8020 PWs) bands (ev): -37.6189 -37.6189 -35.6002 -35.6002 -35.5970 -35.5970 -18.8655 -18.8655 -18.4970 -18.4970 -18.4753 -18.4753 -16.8608 -16.8608 -16.8429 -16.8429 -16.5025 -16.5025 -16.4795 -16.4795 -16.4505 -16.4505 -16.4438 -16.4438 -11.4213 -11.4213 -11.3357 -11.3357 -0.7284 -0.7284 -0.2122 -0.2122 0.0779 0.0779 0.4434 0.4434 0.5466 0.5466 0.7274 0.7274 0.8712 0.8712 4.7005 4.7005 5.1949 5.1949 5.9842 5.9842 6.0725 6.0725 6.5040 6.5040 6.7609 6.7609 6.9830 6.9830 7.1209 7.1209 k = 0.2073-0.4934-0.2926 ( 8025 PWs) bands (ev): -37.6189 -37.6189 -35.6001 -35.6001 -35.5970 -35.5970 -18.8659 -18.8659 -18.4978 -18.4978 -18.4752 -18.4752 -16.8608 -16.8608 -16.8434 -16.8434 -16.5024 -16.5024 -16.4801 -16.4801 -16.4509 -16.4509 -16.4444 -16.4444 -11.4165 -11.4165 -11.3348 -11.3348 -0.7007 -0.7007 -0.2199 -0.2199 0.0512 0.0512 0.4290 0.4290 0.5376 0.5376 0.7134 0.7134 0.8613 0.8613 4.7245 4.7245 5.1426 5.1426 6.0141 6.0141 6.0639 6.0639 6.4948 6.4948 6.7955 6.7955 7.0044 7.0044 7.1518 7.1518 k = 0.2195-0.5225-0.3098 ( 8030 PWs) bands (ev): -37.6188 -37.6188 -35.6000 -35.6000 -35.5970 -35.5970 -18.8663 -18.8663 -18.4985 -18.4985 -18.4751 -18.4751 -16.8608 -16.8608 -16.8439 -16.8439 -16.5023 -16.5023 -16.4806 -16.4806 -16.4513 -16.4513 -16.4450 -16.4450 -11.4116 -11.4116 -11.3339 -11.3339 -0.6719 -0.6719 -0.2290 -0.2290 0.0246 0.0246 0.4138 0.4138 0.5299 0.5299 0.6995 0.6995 0.8513 0.8513 4.7490 4.7490 5.0872 5.0872 6.0407 6.0407 6.0559 6.0559 6.4902 6.4902 6.8317 6.8317 7.0264 7.0264 7.1834 7.1834 k = 0.2317-0.5515-0.3270 ( 8030 PWs) bands (ev): -37.6188 -37.6188 -35.5999 -35.5999 -35.5970 -35.5970 -18.8666 -18.8666 -18.4992 -18.4992 -18.4750 -18.4750 -16.8608 -16.8608 -16.8444 -16.8444 -16.5022 -16.5022 -16.4812 -16.4812 -16.4518 -16.4518 -16.4455 -16.4455 -11.4067 -11.4067 -11.3329 -11.3329 -0.6424 -0.6424 -0.2393 -0.2393 -0.0018 -0.0018 0.3986 0.3986 0.5232 0.5232 0.6859 0.6859 0.8412 0.8412 4.7730 4.7730 5.0311 5.0311 6.0451 6.0451 6.0646 6.0646 6.4920 6.4920 6.8689 6.8689 7.0487 7.0487 7.2156 7.2156 k = 0.2439-0.5805-0.3442 ( 8028 PWs) bands (ev): -37.6187 -37.6187 -35.5998 -35.5998 -35.5970 -35.5970 -18.8670 -18.8670 -18.5000 -18.5000 -18.4749 -18.4749 -16.8608 -16.8608 -16.8450 -16.8450 -16.5021 -16.5021 -16.4818 -16.4818 -16.4522 -16.4522 -16.4461 -16.4461 -11.4016 -11.4016 -11.3320 -11.3320 -0.6122 -0.6122 -0.2512 -0.2512 -0.0277 -0.0277 0.3841 0.3841 0.5171 0.5171 0.6727 0.6727 0.8308 0.8308 4.7939 4.7939 4.9777 4.9777 6.0368 6.0368 6.0788 6.0788 6.5009 6.5009 6.9064 6.9064 7.0714 7.0714 7.2482 7.2482 k = 0.2561-0.6095-0.3614 ( 8025 PWs) bands (ev): -37.6187 -37.6187 -35.5998 -35.5998 -35.5970 -35.5970 -18.8674 -18.8674 -18.5007 -18.5007 -18.4748 -18.4748 -16.8608 -16.8608 -16.8455 -16.8455 -16.5020 -16.5020 -16.4824 -16.4824 -16.4526 -16.4526 -16.4467 -16.4467 -11.3966 -11.3966 -11.3310 -11.3310 -0.5816 -0.5816 -0.2645 -0.2645 -0.0526 -0.0526 0.3705 0.3705 0.5112 0.5112 0.6600 0.6600 0.8203 0.8203 4.8035 4.8035 4.9361 4.9361 6.0282 6.0282 6.0855 6.0855 6.5172 6.5172 6.9434 6.9434 7.0940 7.0940 7.2811 7.2811 k = 0.2683-0.6386-0.3787 ( 8025 PWs) bands (ev): -37.6186 -37.6186 -35.5997 -35.5997 -35.5970 -35.5970 -18.8677 -18.8677 -18.5015 -18.5015 -18.4747 -18.4747 -16.8608 -16.8608 -16.8461 -16.8461 -16.5018 -16.5018 -16.4830 -16.4830 -16.4530 -16.4530 -16.4472 -16.4472 -11.3915 -11.3915 -11.3301 -11.3301 -0.5508 -0.5508 -0.2793 -0.2793 -0.0762 -0.0762 0.3582 0.3582 0.5054 0.5054 0.6479 0.6479 0.8095 0.8095 4.7854 4.7854 4.9228 4.9228 6.0196 6.0196 6.0851 6.0851 6.5398 6.5398 6.9790 6.9790 7.1156 7.1156 7.3143 7.3143 k = 0.2805-0.6676-0.3959 ( 8021 PWs) bands (ev): -37.6186 -37.6186 -35.5996 -35.5996 -35.5970 -35.5970 -18.8681 -18.8681 -18.5022 -18.5022 -18.4746 -18.4746 -16.8608 -16.8608 -16.8466 -16.8466 -16.5017 -16.5017 -16.4836 -16.4836 -16.4535 -16.4535 -16.4478 -16.4478 -11.3865 -11.3865 -11.3291 -11.3291 -0.5202 -0.5202 -0.2954 -0.2954 -0.0981 -0.0981 0.3473 0.3473 0.4995 0.4995 0.6365 0.6365 0.7985 0.7985 4.7414 4.7414 4.9364 4.9364 6.0112 6.0112 6.0788 6.0788 6.5672 6.5672 7.0126 7.0126 7.1346 7.1346 7.3475 7.3475 k = 0.2927-0.6966-0.4131 ( 8021 PWs) bands (ev): -37.6186 -37.6186 -35.5995 -35.5995 -35.5970 -35.5970 -18.8685 -18.8685 -18.5030 -18.5030 -18.4745 -18.4745 -16.8607 -16.8607 -16.8472 -16.8472 -16.5015 -16.5015 -16.4843 -16.4843 -16.4539 -16.4539 -16.4483 -16.4483 -11.3816 -11.3816 -11.3282 -11.3282 -0.4903 -0.4903 -0.3128 -0.3128 -0.1180 -0.1180 0.3379 0.3379 0.4933 0.4933 0.6259 0.6259 0.7872 0.7872 4.6875 4.6875 4.9612 4.9612 6.0029 6.0029 6.0682 6.0682 6.5977 6.5977 7.0438 7.0438 7.1481 7.1481 7.3817 7.3864 k = 0.3049-0.7256-0.4303 ( 8015 PWs) bands (ev): -37.6185 -37.6185 -35.5994 -35.5994 -35.5970 -35.5970 -18.8689 -18.8689 -18.5037 -18.5037 -18.4744 -18.4744 -16.8607 -16.8607 -16.8477 -16.8477 -16.5013 -16.5013 -16.4849 -16.4849 -16.4543 -16.4543 -16.4488 -16.4488 -11.3767 -11.3767 -11.3273 -11.3273 -0.4617 -0.4617 -0.3308 -0.3308 -0.1353 -0.1353 0.3299 0.3299 0.4868 0.4868 0.6163 0.6163 0.7758 0.7758 4.6311 4.6311 4.9899 4.9899 5.9948 5.9948 6.0547 6.0547 6.6300 6.6300 7.0724 7.0724 7.1528 7.1528 7.3814 7.3814 k = 0.3171-0.7547-0.4475 ( 8011 PWs) bands (ev): -37.6185 -37.6185 -35.5993 -35.5993 -35.5970 -35.5970 -18.8692 -18.8692 -18.5044 -18.5044 -18.4743 -18.4743 -16.8607 -16.8607 -16.8483 -16.8483 -16.5012 -16.5012 -16.4855 -16.4855 -16.4548 -16.4548 -16.4492 -16.4492 -11.3720 -11.3720 -11.3264 -11.3264 -0.4359 -0.4359 -0.3485 -0.3485 -0.1497 -0.1497 0.3232 0.3232 0.4798 0.4798 0.6077 0.6077 0.7642 0.7642 4.5746 4.5746 5.0201 5.0201 5.9870 5.9870 6.0395 6.0395 6.6628 6.6628 7.0987 7.0987 7.1475 7.1475 7.3863 7.3863 k = 0.3293-0.7837-0.4647 ( 8009 PWs) bands (ev): -37.6184 -37.6184 -35.5992 -35.5992 -35.5970 -35.5970 -18.8695 -18.8695 -18.5050 -18.5050 -18.4742 -18.4742 -16.8606 -16.8606 -16.8488 -16.8488 -16.5010 -16.5010 -16.4862 -16.4862 -16.4552 -16.4552 -16.4497 -16.4497 -11.3675 -11.3675 -11.3256 -11.3256 -0.4165 -0.4165 -0.3626 -0.3626 -0.1605 -0.1605 0.3178 0.3178 0.4724 0.4724 0.6002 0.6002 0.7526 0.7526 4.5193 4.5193 5.0508 5.0508 5.9794 5.9794 6.0234 6.0234 6.6954 6.6954 7.1220 7.1220 7.1356 7.1356 7.4017 7.4017 k = 0.3415-0.8127-0.4819 ( 8013 PWs) bands (ev): -37.6184 -37.6184 -35.5991 -35.5991 -35.5971 -35.5971 -18.8699 -18.8699 -18.5057 -18.5057 -18.4741 -18.4741 -16.8606 -16.8606 -16.8493 -16.8493 -16.5008 -16.5008 -16.4868 -16.4868 -16.4556 -16.4556 -16.4501 -16.4501 -11.3631 -11.3631 -11.3247 -11.3247 -0.4132 -0.4132 -0.3639 -0.3639 -0.1670 -0.1670 0.3136 0.3136 0.4644 0.4644 0.5938 0.5938 0.7408 0.7408 4.4657 4.4657 5.0812 5.0812 5.9722 5.9722 6.0071 6.0071 6.7273 6.7273 7.1163 7.1163 7.1473 7.1473 7.4231 7.4231 k = 0.3537-0.8417-0.4991 ( 8007 PWs) bands (ev): -37.6184 -37.6184 -35.5991 -35.5991 -35.5971 -35.5971 -18.8702 -18.8702 -18.5063 -18.5063 -18.4740 -18.4740 -16.8605 -16.8605 -16.8499 -16.8499 -16.5005 -16.5005 -16.4874 -16.4874 -16.4560 -16.4560 -16.4505 -16.4505 -11.3589 -11.3589 -11.3240 -11.3240 -0.4259 -0.4259 -0.3536 -0.3536 -0.1684 -0.1684 0.3105 0.3105 0.4560 0.4560 0.5887 0.5887 0.7291 0.7291 4.4145 4.4145 5.1110 5.1110 5.9654 5.9654 5.9911 5.9911 6.7581 6.7581 7.0984 7.0984 7.1689 7.1689 7.4467 7.4467 k = 0.3659-0.8708-0.5163 ( 8010 PWs) bands (ev): -37.6183 -37.6183 -35.5990 -35.5990 -35.5971 -35.5971 -18.8705 -18.8705 -18.5069 -18.5069 -18.4739 -18.4739 -16.8604 -16.8604 -16.8504 -16.8504 -16.5003 -16.5003 -16.4881 -16.4881 -16.4563 -16.4563 -16.4508 -16.4508 -11.3550 -11.3550 -11.3232 -11.3232 -0.4433 -0.4433 -0.3432 -0.3432 -0.1641 -0.1641 0.3084 0.3084 0.4470 0.4470 0.5847 0.5847 0.7174 0.7174 4.3659 4.3659 5.1396 5.1396 5.9589 5.9589 5.9756 5.9756 6.7875 6.7875 7.0808 7.0808 7.1897 7.1897 7.4700 7.4700 k = 0.3780-0.8998-0.5336 ( 8009 PWs) bands (ev): -37.6183 -37.6183 -35.5989 -35.5989 -35.5971 -35.5971 -18.8708 -18.8708 -18.5074 -18.5074 -18.4739 -18.4739 -16.8603 -16.8603 -16.8508 -16.8508 -16.5001 -16.5001 -16.4887 -16.4887 -16.4567 -16.4567 -16.4512 -16.4512 -11.3513 -11.3513 -11.3225 -11.3225 -0.4614 -0.4614 -0.3366 -0.3366 -0.1543 -0.1543 0.3072 0.3072 0.4377 0.4377 0.5819 0.5819 0.7058 0.7058 4.3203 4.3203 5.1668 5.1668 5.9529 5.9529 5.9612 5.9612 6.8155 6.8155 7.0647 7.0647 7.2096 7.2096 7.4913 7.4913 k = 0.3902-0.9288-0.5508 ( 8005 PWs) bands (ev): -37.6183 -37.6183 -35.5988 -35.5988 -35.5971 -35.5971 -18.8710 -18.8710 -18.5079 -18.5079 -18.4738 -18.4738 -16.8602 -16.8602 -16.8513 -16.8513 -16.4999 -16.4999 -16.4892 -16.4892 -16.4570 -16.4570 -16.4515 -16.4515 -11.3479 -11.3479 -11.3219 -11.3219 -0.4789 -0.4789 -0.3340 -0.3340 -0.1403 -0.1403 0.3068 0.3068 0.4281 0.4281 0.5802 0.5802 0.6943 0.6943 4.2781 4.2781 5.1922 5.1922 5.9469 5.9469 5.9482 5.9482 6.8419 6.8419 7.0507 7.0507 7.2285 7.2285 7.5095 7.5095 k = 0.4024-0.9578-0.5680 ( 8009 PWs) bands (ev): -37.6182 -37.6182 -35.5988 -35.5988 -35.5971 -35.5971 -18.8713 -18.8713 -18.5083 -18.5083 -18.4737 -18.4737 -16.8601 -16.8601 -16.8517 -16.8517 -16.4996 -16.4996 -16.4898 -16.4898 -16.4573 -16.4573 -16.4517 -16.4517 -11.3447 -11.3447 -11.3213 -11.3213 -0.4953 -0.4953 -0.3341 -0.3341 -0.1237 -0.1237 0.3072 0.3072 0.4183 0.4183 0.5795 0.5795 0.6830 0.6830 4.2394 4.2394 5.2155 5.2155 5.9355 5.9355 5.9425 5.9425 6.8666 6.8666 7.0391 7.0391 7.2461 7.2461 7.5237 7.5237 k = 0.4146-0.9869-0.5852 ( 8013 PWs) bands (ev): -37.6182 -37.6182 -35.5987 -35.5987 -35.5971 -35.5971 -18.8715 -18.8715 -18.5088 -18.5088 -18.4736 -18.4736 -16.8600 -16.8600 -16.8522 -16.8522 -16.4994 -16.4994 -16.4903 -16.4903 -16.4575 -16.4575 -16.4520 -16.4520 -11.3420 -11.3420 -11.3208 -11.3208 -0.5103 -0.5103 -0.3360 -0.3360 -0.1061 -0.1061 0.3084 0.3084 0.4083 0.4083 0.5799 0.5799 0.6721 0.6721 4.2046 4.2046 5.2366 5.2366 5.9248 5.9248 5.9379 5.9379 6.8890 6.8890 7.0305 7.0305 7.2621 7.2621 7.5336 7.5336 k = 0.4268-1.0159-0.6024 ( 8021 PWs) bands (ev): -37.6182 -37.6182 -35.5986 -35.5986 -35.5972 -35.5972 -18.8717 -18.8717 -18.5091 -18.5091 -18.4736 -18.4736 -16.8599 -16.8599 -16.8525 -16.8525 -16.4991 -16.4991 -16.4908 -16.4908 -16.4578 -16.4578 -16.4522 -16.4522 -11.3395 -11.3395 -11.3203 -11.3203 -0.5236 -0.5236 -0.3387 -0.3387 -0.0887 -0.0887 0.3103 0.3103 0.3984 0.3984 0.5812 0.5812 0.6614 0.6614 4.1740 4.1740 5.2551 5.2551 5.9154 5.9154 5.9339 5.9339 6.9086 6.9086 7.0253 7.0253 7.2761 7.2761 7.5392 7.5393 k = 0.4390-1.0449-0.6196 ( 8008 PWs) bands (ev): -37.6182 -37.6182 -35.5986 -35.5986 -35.5972 -35.5972 -18.8718 -18.8718 -18.5094 -18.5094 -18.4735 -18.4735 -16.8598 -16.8598 -16.8528 -16.8528 -16.4989 -16.4989 -16.4912 -16.4912 -16.4580 -16.4580 -16.4524 -16.4524 -11.3374 -11.3374 -11.3200 -11.3200 -0.5352 -0.5352 -0.3417 -0.3417 -0.0726 -0.0726 0.3130 0.3130 0.3886 0.3886 0.5835 0.5835 0.6512 0.6512 4.1476 4.1476 5.2710 5.2710 5.9076 5.9076 5.9306 5.9306 6.9243 6.9243 7.0242 7.0242 7.2880 7.2880 7.5411 7.5411 k = 0.4512-1.0739-0.6368 ( 8012 PWs) bands (ev): -37.6181 -37.6181 -35.5985 -35.5985 -35.5972 -35.5972 -18.8720 -18.8720 -18.5097 -18.5097 -18.4735 -18.4735 -16.8598 -16.8598 -16.8531 -16.8531 -16.4987 -16.4987 -16.4916 -16.4916 -16.4581 -16.4581 -16.4525 -16.4525 -11.3357 -11.3357 -11.3196 -11.3196 -0.5448 -0.5448 -0.3445 -0.3445 -0.0584 -0.0584 0.3164 0.3164 0.3792 0.3792 0.5867 0.5867 0.6414 0.6414 4.1258 4.1258 5.2841 5.2841 5.9012 5.9012 5.9278 5.9278 6.9353 6.9353 7.0273 7.0273 7.2973 7.2973 7.5399 7.5399 k = 0.4634-1.1030-0.6540 ( 8004 PWs) bands (ev): -37.6181 -37.6181 -35.5985 -35.5985 -35.5972 -35.5972 -18.8721 -18.8721 -18.5099 -18.5099 -18.4735 -18.4735 -16.8597 -16.8597 -16.8533 -16.8533 -16.4985 -16.4985 -16.4919 -16.4919 -16.4583 -16.4583 -16.4526 -16.4526 -11.3343 -11.3343 -11.3194 -11.3194 -0.5523 -0.5523 -0.3469 -0.3469 -0.0468 -0.0468 0.3204 0.3204 0.3702 0.3702 0.5908 0.5908 0.6322 0.6322 4.1086 4.1086 5.2943 5.2943 5.8962 5.8962 5.9256 5.9256 6.9418 6.9418 7.0335 7.0335 7.3041 7.3041 7.5371 7.5371 k = 0.4756-1.1320-0.6713 ( 8005 PWs) bands (ev): -37.6181 -37.6181 -35.5985 -35.5985 -35.5972 -35.5972 -18.8722 -18.8722 -18.5100 -18.5100 -18.4734 -18.4734 -16.8596 -16.8596 -16.8535 -16.8535 -16.4984 -16.4984 -16.4922 -16.4922 -16.4584 -16.4584 -16.4527 -16.4527 -11.3333 -11.3333 -11.3192 -11.3192 -0.5578 -0.5578 -0.3487 -0.3487 -0.0382 -0.0382 0.3248 0.3248 0.3621 0.3621 0.5957 0.5957 0.6235 0.6235 4.0963 4.0963 5.3017 5.3017 5.8927 5.8927 5.9240 5.9240 6.9451 6.9451 7.0405 7.0405 7.3084 7.3084 7.5339 7.5339 k = 0.4878-1.1610-0.6885 ( 8008 PWs) bands (ev): -37.6181 -37.6181 -35.5985 -35.5985 -35.5972 -35.5972 -18.8722 -18.8722 -18.5101 -18.5101 -18.4734 -18.4734 -16.8596 -16.8596 -16.8536 -16.8536 -16.4983 -16.4983 -16.4923 -16.4923 -16.4584 -16.4584 -16.4527 -16.4527 -11.3327 -11.3327 -11.3191 -11.3191 -0.5610 -0.5610 -0.3498 -0.3498 -0.0329 -0.0329 0.3289 0.3289 0.3558 0.3558 0.6014 0.6014 0.6156 0.6156 4.0889 4.0889 5.3061 5.3061 5.8906 5.8906 5.9230 5.9230 6.9465 6.9465 7.0458 7.0458 7.3108 7.3108 7.5314 7.5314 k = 0.5000-1.1900-0.7057 ( 7990 PWs) bands (ev): -37.6181 -37.6181 -35.5984 -35.5984 -35.5972 -35.5972 -18.8722 -18.8722 -18.5101 -18.5101 -18.4734 -18.4734 -16.8595 -16.8595 -16.8536 -16.8536 -16.4982 -16.4982 -16.4924 -16.4924 -16.4584 -16.4584 -16.4527 -16.4527 -11.3325 -11.3325 -11.3191 -11.3191 -0.5621 -0.5621 -0.3502 -0.3502 -0.0311 -0.0311 0.3308 0.3308 0.3531 0.3531 0.6065 0.6065 0.6097 0.6097 4.0864 4.0864 5.3075 5.3075 5.8899 5.8899 5.9227 5.9227 6.9468 6.9468 7.0478 7.0478 7.3116 7.3116 7.5305 7.5305 k = 0.5000-1.1900-0.7057 ( 7990 PWs) bands (ev): -37.6181 -37.6181 -35.5984 -35.5984 -35.5972 -35.5972 -18.8722 -18.8722 -18.5101 -18.5101 -18.4734 -18.4734 -16.8595 -16.8595 -16.8536 -16.8536 -16.4982 -16.4982 -16.4924 -16.4924 -16.4584 -16.4584 -16.4527 -16.4527 -11.3325 -11.3325 -11.3191 -11.3191 -0.5621 -0.5621 -0.3502 -0.3502 -0.0311 -0.0311 0.3308 0.3308 0.3531 0.3531 0.6065 0.6065 0.6097 0.6097 4.0864 4.0864 5.3075 5.3075 5.8899 5.8899 5.9227 5.9227 6.9468 6.9468 7.0478 7.0478 7.3116 7.3116 7.5305 7.5305 k = 0.5000-1.1719-0.7363 ( 8002 PWs) bands (ev): -37.6181 -37.6181 -35.5984 -35.5984 -35.5972 -35.5972 -18.8722 -18.8722 -18.5101 -18.5101 -18.4734 -18.4734 -16.8596 -16.8596 -16.8537 -16.8537 -16.4982 -16.4982 -16.4924 -16.4924 -16.4584 -16.4584 -16.4527 -16.4527 -11.3325 -11.3325 -11.3190 -11.3190 -0.5615 -0.5615 -0.3497 -0.3497 -0.0309 -0.0309 0.3299 0.3299 0.3533 0.3533 0.6035 0.6035 0.6108 0.6108 4.0874 4.0874 5.3083 5.3083 5.8926 5.8926 5.9167 5.9167 6.9504 6.9504 7.0499 7.0499 7.3125 7.3125 7.5299 7.5299 k = 0.5000-1.1537-0.7669 ( 8000 PWs) bands (ev): -37.6181 -37.6181 -35.5984 -35.5984 -35.5972 -35.5972 -18.8722 -18.8722 -18.5101 -18.5101 -18.4734 -18.4734 -16.8595 -16.8595 -16.8537 -16.8537 -16.4982 -16.4982 -16.4924 -16.4924 -16.4585 -16.4585 -16.4528 -16.4528 -11.3323 -11.3323 -11.3190 -11.3190 -0.5595 -0.5595 -0.3482 -0.3482 -0.0303 -0.0303 0.3272 0.3272 0.3537 0.3537 0.5973 0.5973 0.6110 0.6110 4.0906 4.0906 5.3105 5.3105 5.8989 5.8989 5.9006 5.9006 6.9605 6.9605 7.0563 7.0563 7.3153 7.3153 7.5281 7.5281 k = 0.5000-1.1356-0.7975 ( 8002 PWs) bands (ev): -37.6181 -37.6181 -35.5984 -35.5984 -35.5972 -35.5972 -18.8722 -18.8722 -18.5101 -18.5101 -18.4735 -18.4735 -16.8595 -16.8595 -16.8537 -16.8537 -16.4982 -16.4982 -16.4924 -16.4924 -16.4585 -16.4585 -16.4529 -16.4529 -11.3320 -11.3320 -11.3189 -11.3189 -0.5561 -0.5561 -0.3458 -0.3458 -0.0293 -0.0293 0.3229 0.3229 0.3541 0.3541 0.5891 0.5891 0.6096 0.6096 4.0959 4.0959 5.3142 5.3142 5.8704 5.8704 5.9138 5.9138 6.9750 6.9750 7.0681 7.0681 7.3194 7.3194 7.5255 7.5255 k = 0.5000-1.1174-0.8281 ( 8002 PWs) bands (ev): -37.6181 -37.6181 -35.5984 -35.5984 -35.5972 -35.5972 -18.8723 -18.8723 -18.5102 -18.5102 -18.4735 -18.4735 -16.8595 -16.8595 -16.8538 -16.8538 -16.4982 -16.4982 -16.4924 -16.4924 -16.4586 -16.4586 -16.4530 -16.4530 -11.3315 -11.3315 -11.3189 -11.3189 -0.5515 -0.5515 -0.3425 -0.3425 -0.0280 -0.0280 0.3172 0.3172 0.3542 0.3542 0.5791 0.5791 0.6067 0.6067 4.1033 4.1033 5.3191 5.3191 5.8325 5.8325 5.9321 5.9321 6.9912 6.9912 7.0865 7.0865 7.3244 7.3244 7.5227 7.5227 k = 0.5000-1.0993-0.8588 ( 8002 PWs) bands (ev): -37.6181 -37.6181 -35.5984 -35.5984 -35.5972 -35.5972 -18.8723 -18.8723 -18.5102 -18.5102 -18.4736 -18.4736 -16.8595 -16.8595 -16.8538 -16.8538 -16.4982 -16.4982 -16.4923 -16.4923 -16.4586 -16.4586 -16.4531 -16.4531 -11.3310 -11.3310 -11.3188 -11.3188 -0.5455 -0.5455 -0.3383 -0.3383 -0.0263 -0.0263 0.3100 0.3100 0.3537 0.3537 0.5676 0.5676 0.6023 0.6023 4.1127 4.1127 5.3253 5.3253 5.7868 5.7868 5.9553 5.9553 7.0065 7.0065 7.1123 7.1123 7.3291 7.3291 7.5207 7.5207 k = 0.5000-1.0811-0.8894 ( 8008 PWs) bands (ev): -37.6181 -37.6181 -35.5984 -35.5984 -35.5972 -35.5972 -18.8723 -18.8723 -18.5103 -18.5103 -18.4736 -18.4736 -16.8595 -16.8595 -16.8539 -16.8539 -16.4982 -16.4982 -16.4923 -16.4923 -16.4587 -16.4587 -16.4533 -16.4533 -11.3303 -11.3303 -11.3186 -11.3186 -0.5383 -0.5383 -0.3332 -0.3332 -0.0243 -0.0243 0.3014 0.3014 0.3526 0.3526 0.5550 0.5550 0.5969 0.5969 4.1243 4.1243 5.3326 5.3326 5.7347 5.7347 5.9833 5.9833 7.0200 7.0200 7.1447 7.1447 7.3321 7.3321 7.5209 7.5209 k = 0.5000-1.0629-0.9200 ( 8004 PWs) bands (ev): -37.6181 -37.6181 -35.5984 -35.5984 -35.5973 -35.5973 -18.8724 -18.8724 -18.5103 -18.5103 -18.4737 -18.4737 -16.8594 -16.8594 -16.8540 -16.8540 -16.4981 -16.4981 -16.4923 -16.4923 -16.4588 -16.4588 -16.4535 -16.4535 -11.3295 -11.3295 -11.3185 -11.3185 -0.5299 -0.5299 -0.3274 -0.3274 -0.0221 -0.0221 0.2911 0.2911 0.3505 0.3505 0.5416 0.5416 0.5906 0.5906 4.1379 4.1379 5.3407 5.3407 5.6776 5.6776 6.0157 6.0157 7.0319 7.0319 7.1820 7.1820 7.3320 7.3320 7.5246 7.5246 k = 0.5000-1.0448-0.9506 ( 8000 PWs) bands (ev): -37.6181 -37.6181 -35.5983 -35.5983 -35.5973 -35.5973 -18.8724 -18.8724 -18.5104 -18.5104 -18.4737 -18.4737 -16.8594 -16.8594 -16.8541 -16.8541 -16.4981 -16.4981 -16.4923 -16.4923 -16.4590 -16.4590 -16.4537 -16.4537 -11.3287 -11.3287 -11.3183 -11.3183 -0.5203 -0.5203 -0.3208 -0.3208 -0.0195 -0.0195 0.2792 0.2792 0.3473 0.3473 0.5281 0.5281 0.5838 0.5838 4.1534 4.1534 5.3497 5.3497 5.6166 5.6166 6.0523 6.0523 7.0425 7.0425 7.2221 7.2221 7.3275 7.3275 7.5330 7.5330 k = 0.5000-1.0266-0.9812 ( 7998 PWs) bands (ev): -37.6181 -37.6181 -35.5983 -35.5983 -35.5973 -35.5973 -18.8725 -18.8725 -18.5104 -18.5104 -18.4738 -18.4738 -16.8593 -16.8593 -16.8543 -16.8543 -16.4980 -16.4980 -16.4923 -16.4923 -16.4591 -16.4591 -16.4539 -16.4539 -11.3278 -11.3278 -11.3182 -11.3182 -0.5096 -0.5096 -0.3137 -0.3137 -0.0168 -0.0168 0.2655 0.2655 0.3429 0.3429 0.5150 0.5150 0.5765 0.5765 4.1710 4.1710 5.3592 5.3592 5.5527 5.5527 6.0927 6.0927 7.0522 7.0522 7.2636 7.2636 7.3181 7.3181 7.5464 7.5464 k = 0.5000-1.0085-1.0118 ( 7992 PWs) bands (ev): -37.6181 -37.6181 -35.5983 -35.5983 -35.5973 -35.5973 -18.8725 -18.8725 -18.5105 -18.5105 -18.4739 -18.4739 -16.8593 -16.8593 -16.8544 -16.8544 -16.4980 -16.4980 -16.4922 -16.4922 -16.4592 -16.4592 -16.4541 -16.4541 -11.3268 -11.3268 -11.3180 -11.3180 -0.4978 -0.4978 -0.3060 -0.3060 -0.0140 -0.0140 0.2500 0.2500 0.3369 0.3369 0.5029 0.5029 0.5692 0.5692 4.1906 4.1906 5.3691 5.3691 5.4867 5.4867 6.1364 6.1364 7.0607 7.0607 7.3021 7.3021 7.3068 7.3068 7.5643 7.5643 k = 0.5000-0.9903-1.0425 ( 7994 PWs) bands (ev): -37.6181 -37.6181 -35.5982 -35.5982 -35.5973 -35.5973 -18.8726 -18.8726 -18.5106 -18.5106 -18.4740 -18.4740 -16.8592 -16.8592 -16.8546 -16.8546 -16.4979 -16.4979 -16.4922 -16.4922 -16.4594 -16.4594 -16.4543 -16.4543 -11.3258 -11.3258 -11.3178 -11.3178 -0.4851 -0.4851 -0.2980 -0.2980 -0.0111 -0.0111 0.2330 0.2330 0.3294 0.3294 0.4921 0.4921 0.5619 0.5619 4.2121 4.2121 5.3791 5.3791 5.4197 5.4197 6.1832 6.1832 7.0681 7.0681 7.2853 7.2853 7.3453 7.3453 7.5855 7.5855 k = 0.5000-0.9722-1.0731 ( 7992 PWs) bands (ev): -37.6181 -37.6181 -35.5982 -35.5982 -35.5973 -35.5973 -18.8726 -18.8726 -18.5106 -18.5106 -18.4740 -18.4740 -16.8591 -16.8591 -16.8547 -16.8547 -16.4979 -16.4979 -16.4922 -16.4922 -16.4595 -16.4595 -16.4546 -16.4546 -11.3247 -11.3247 -11.3176 -11.3176 -0.4715 -0.4715 -0.2897 -0.2897 -0.0083 -0.0083 0.2145 0.2145 0.3203 0.3203 0.4830 0.4830 0.5549 0.5549 4.2354 4.2354 5.3502 5.3502 5.3909 5.3909 6.2326 6.2326 7.0740 7.0740 7.2638 7.2638 7.3830 7.3830 7.6090 7.6090 k = 0.5000-0.9540-1.1037 ( 8000 PWs) bands (ev): -37.6180 -37.6180 -35.5982 -35.5982 -35.5973 -35.5973 -18.8727 -18.8727 -18.5107 -18.5107 -18.4741 -18.4741 -16.8591 -16.8591 -16.8549 -16.8549 -16.4978 -16.4978 -16.4922 -16.4922 -16.4597 -16.4597 -16.4548 -16.4548 -11.3236 -11.3236 -11.3174 -11.3174 -0.4571 -0.4571 -0.2814 -0.2814 -0.0058 -0.0058 0.1952 0.1952 0.3098 0.3098 0.4756 0.4756 0.5482 0.5482 4.2607 4.2607 5.2822 5.2822 5.4010 5.4010 6.2842 6.2842 7.0781 7.0781 7.2395 7.2395 7.4171 7.4171 7.6333 7.6333 k = 0.5000-0.9359-1.1343 ( 8012 PWs) bands (ev): -37.6180 -37.6180 -35.5981 -35.5981 -35.5974 -35.5974 -18.8728 -18.8728 -18.5108 -18.5108 -18.4742 -18.4742 -16.8590 -16.8590 -16.8551 -16.8551 -16.4978 -16.4978 -16.4922 -16.4922 -16.4598 -16.4598 -16.4551 -16.4551 -11.3226 -11.3226 -11.3172 -11.3172 -0.4421 -0.4421 -0.2733 -0.2733 -0.0037 -0.0037 0.1754 0.1754 0.2981 0.2981 0.4698 0.4698 0.5420 0.5420 4.2877 4.2877 5.2141 5.2141 5.4113 5.4113 6.3376 6.3376 7.0802 7.0802 7.2133 7.2133 7.4464 7.4464 7.6575 7.6575 k = 0.5000-0.9177-1.1649 ( 8008 PWs) bands (ev): -37.6180 -37.6180 -35.5981 -35.5981 -35.5974 -35.5974 -18.8729 -18.8729 -18.5109 -18.5109 -18.4742 -18.4742 -16.8589 -16.8589 -16.8553 -16.8553 -16.4978 -16.4978 -16.4922 -16.4922 -16.4600 -16.4600 -16.4553 -16.4553 -11.3215 -11.3215 -11.3169 -11.3169 -0.4266 -0.4266 -0.2657 -0.2657 -0.0022 -0.0022 0.1560 0.1560 0.2857 0.2857 0.4656 0.4656 0.5362 0.5362 4.3165 4.3165 5.1468 5.1468 5.4214 5.4214 6.3924 6.3924 7.0798 7.0798 7.1855 7.1855 7.4707 7.4707 7.6802 7.6803 k = 0.5000-0.8995-1.1956 ( 8002 PWs) bands (ev): -37.6180 -37.6180 -35.5980 -35.5980 -35.5974 -35.5974 -18.8729 -18.8729 -18.5110 -18.5110 -18.4743 -18.4743 -16.8588 -16.8588 -16.8555 -16.8555 -16.4977 -16.4977 -16.4922 -16.4922 -16.4601 -16.4601 -16.4555 -16.4555 -11.3205 -11.3205 -11.3167 -11.3167 -0.4108 -0.4108 -0.2588 -0.2588 -0.0017 -0.0017 0.1379 0.1379 0.2730 0.2730 0.4626 0.4626 0.5309 0.5309 4.3470 4.3470 5.0805 5.0805 5.4310 5.4310 6.4483 6.4483 7.0767 7.0767 7.1567 7.1567 7.4901 7.4901 7.7008 7.7008 k = 0.5000-0.8814-1.2262 ( 8002 PWs) bands (ev): -37.6180 -37.6180 -35.5980 -35.5980 -35.5974 -35.5974 -18.8730 -18.8730 -18.5111 -18.5111 -18.4744 -18.4744 -16.8586 -16.8586 -16.8557 -16.8557 -16.4976 -16.4976 -16.4922 -16.4922 -16.4603 -16.4603 -16.4557 -16.4557 -11.3196 -11.3196 -11.3165 -11.3165 -0.3950 -0.3950 -0.2530 -0.2530 -0.0025 -0.0025 0.1218 0.1218 0.2605 0.2605 0.4607 0.4607 0.5260 0.5260 4.3793 4.3793 5.0158 5.0158 5.4399 5.4399 6.5048 6.5048 7.0705 7.0705 7.1275 7.1275 7.5057 7.5057 7.7184 7.7184 k = 0.5000-0.8632-1.2568 ( 8002 PWs) bands (ev): -37.6180 -37.6180 -35.5980 -35.5980 -35.5975 -35.5975 -18.8730 -18.8730 -18.5112 -18.5112 -18.4744 -18.4744 -16.8585 -16.8585 -16.8559 -16.8559 -16.4976 -16.4976 -16.4922 -16.4922 -16.4604 -16.4604 -16.4559 -16.4559 -11.3187 -11.3187 -11.3163 -11.3163 -0.3794 -0.3794 -0.2487 -0.2487 -0.0048 -0.0048 0.1086 0.1086 0.2485 0.2485 0.4596 0.4596 0.5215 0.5215 4.4131 4.4131 4.9529 4.9529 5.4481 5.4481 6.5615 6.5615 7.0607 7.0607 7.0988 7.0988 7.5189 7.5189 7.7325 7.7325 k = 0.5000-0.8451-1.2874 ( 7996 PWs) bands (ev): -37.6180 -37.6180 -35.5979 -35.5979 -35.5975 -35.5975 -18.8731 -18.8731 -18.5112 -18.5112 -18.4744 -18.4744 -16.8583 -16.8583 -16.8562 -16.8562 -16.4975 -16.4975 -16.4923 -16.4923 -16.4605 -16.4605 -16.4560 -16.4560 -11.3180 -11.3180 -11.3161 -11.3161 -0.3644 -0.3644 -0.2461 -0.2461 -0.0084 -0.0084 0.0987 0.0987 0.2377 0.2377 0.4592 0.4592 0.5175 0.5175 4.4485 4.4485 4.8923 4.8923 5.4554 5.4554 6.6179 6.6179 7.0458 7.0458 7.0725 7.0725 7.5311 7.5311 7.7432 7.7432 k = 0.5000-0.8269-1.3180 ( 7998 PWs) bands (ev): -37.6180 -37.6180 -35.5979 -35.5979 -35.5975 -35.5975 -18.8731 -18.8731 -18.5113 -18.5113 -18.4745 -18.4745 -16.8582 -16.8582 -16.8564 -16.8564 -16.4975 -16.4975 -16.4923 -16.4923 -16.4606 -16.4606 -16.4562 -16.4562 -11.3174 -11.3174 -11.3159 -11.3159 -0.3505 -0.3505 -0.2453 -0.2453 -0.0128 -0.0128 0.0922 0.0922 0.2283 0.2283 0.4593 0.4593 0.5139 0.5139 4.4854 4.4854 4.8342 4.8342 5.4615 5.4615 6.6733 6.6733 7.0246 7.0246 7.0509 7.0509 7.5434 7.5434 7.7505 7.7505 k = 0.5000-0.8088-1.3486 ( 7996 PWs) bands (ev): -37.6180 -37.6180 -35.5978 -35.5978 -35.5976 -35.5976 -18.8731 -18.8731 -18.5114 -18.5114 -18.4745 -18.4745 -16.8580 -16.8580 -16.8566 -16.8566 -16.4975 -16.4975 -16.4923 -16.4923 -16.4607 -16.4607 -16.4563 -16.4563 -11.3170 -11.3170 -11.3157 -11.3157 -0.3385 -0.3385 -0.2461 -0.2461 -0.0172 -0.0172 0.0884 0.0884 0.2208 0.2208 0.4596 0.4596 0.5108 0.5108 4.5238 4.5238 4.7789 4.7789 5.4663 5.4663 6.7264 6.7264 7.0002 7.0002 7.0322 7.0322 7.5563 7.5563 7.7547 7.7547 k = 0.5000-0.7906-1.3793 ( 7998 PWs) bands (ev): -37.6180 -37.6180 -35.5978 -35.5978 -35.5976 -35.5976 -18.8732 -18.8732 -18.5114 -18.5114 -18.4745 -18.4745 -16.8578 -16.8578 -16.8568 -16.8568 -16.4974 -16.4974 -16.4923 -16.4923 -16.4607 -16.4607 -16.4563 -16.4563 -11.3167 -11.3167 -11.3155 -11.3155 -0.3293 -0.3293 -0.2478 -0.2478 -0.0209 -0.0209 0.0869 0.0869 0.2155 0.2155 0.4599 0.4599 0.5084 0.5084 4.5636 4.5636 4.7267 4.7267 5.4697 5.4697 6.7743 6.7743 6.9781 6.9781 7.0142 7.0142 7.5704 7.5704 7.7563 7.7563 k = 0.5000-0.7725-1.4099 ( 8008 PWs) bands (ev): -37.6180 -37.6180 -35.5977 -35.5977 -35.5977 -35.5977 -18.8732 -18.8732 -18.5114 -18.5114 -18.4745 -18.4745 -16.8576 -16.8576 -16.8571 -16.8571 -16.4974 -16.4974 -16.4924 -16.4924 -16.4608 -16.4608 -16.4564 -16.4564 -11.3165 -11.3165 -11.3154 -11.3154 -0.3239 -0.3239 -0.2494 -0.2494 -0.0232 -0.0232 0.0871 0.0871 0.2126 0.2126 0.4599 0.4599 0.5070 0.5070 4.6046 4.6046 4.6778 4.6778 5.4715 5.4715 6.8106 6.8106 6.9646 6.9646 6.9970 6.9970 7.5856 7.5856 7.7558 7.7558 k = 0.5000-0.7543-1.4405 ( 8014 PWs) bands (ev): -37.6180 -37.6180 -35.5977 -35.5977 -35.5977 -35.5977 -18.8732 -18.8732 -18.5114 -18.5114 -18.4745 -18.4745 -16.8575 -16.8575 -16.8572 -16.8572 -16.4974 -16.4974 -16.4924 -16.4924 -16.4608 -16.4608 -16.4564 -16.4564 -11.3165 -11.3165 -11.3154 -11.3154 -0.3231 -0.3231 -0.2501 -0.2501 -0.0241 -0.0241 0.0887 0.0887 0.2123 0.2123 0.4592 0.4592 0.5068 0.5068 4.6324 4.6324 4.6471 4.6471 5.4717 5.4717 6.8250 6.8250 6.9603 6.9603 6.9906 6.9906 7.6020 7.6020 7.7535 7.7535 k = 0.5000-0.7361-1.4711 ( 7998 PWs) bands (ev): -37.6180 -37.6180 -35.5978 -35.5978 -35.5976 -35.5976 -18.8732 -18.8732 -18.5114 -18.5114 -18.4745 -18.4745 -16.8576 -16.8576 -16.8571 -16.8571 -16.4974 -16.4974 -16.4924 -16.4924 -16.4608 -16.4608 -16.4564 -16.4564 -11.3166 -11.3166 -11.3155 -11.3155 -0.3266 -0.3266 -0.2497 -0.2497 -0.0235 -0.0235 0.0914 0.0914 0.2145 0.2145 0.4575 0.4575 0.5081 0.5081 4.5911 4.5911 4.6905 4.6905 5.4702 5.4702 6.8169 6.8169 6.9455 6.9455 7.0154 7.0154 7.6197 7.6197 7.7499 7.7499 k = 0.8242-0.6708-1.3516 ( 7998 PWs) bands (ev): -37.6180 -37.6180 -35.5978 -35.5978 -35.5976 -35.5976 -18.8732 -18.8732 -18.5114 -18.5114 -18.4745 -18.4745 -16.8576 -16.8576 -16.8571 -16.8571 -16.4974 -16.4974 -16.4924 -16.4924 -16.4608 -16.4608 -16.4564 -16.4564 -11.3166 -11.3166 -11.3155 -11.3155 -0.3266 -0.3266 -0.2497 -0.2497 -0.0235 -0.0235 0.0914 0.0914 0.2145 0.2145 0.4575 0.4575 0.5081 0.5081 4.5911 4.5911 4.6905 4.6905 5.4702 5.4702 6.8169 6.8169 6.9455 6.9455 7.0154 7.0154 7.6197 7.6197 7.7499 7.7499 k = 0.8170-0.6537-1.3202 ( 7992 PWs) bands (ev): -37.6180 -37.6180 -35.5978 -35.5978 -35.5976 -35.5976 -18.8731 -18.8731 -18.5114 -18.5114 -18.4745 -18.4745 -16.8578 -16.8578 -16.8568 -16.8568 -16.4974 -16.4974 -16.4923 -16.4923 -16.4607 -16.4607 -16.4563 -16.4563 -11.3169 -11.3169 -11.3157 -11.3157 -0.3334 -0.3334 -0.2492 -0.2492 -0.0217 -0.0217 0.0954 0.0954 0.2191 0.2191 0.4547 0.4547 0.5111 0.5111 4.5528 4.5528 4.7362 4.7362 5.4667 5.4667 6.7965 6.7965 6.9247 6.9247 7.0563 7.0563 7.6388 7.6388 7.7451 7.7451 k = 0.8098-0.6365-1.2889 ( 8006 PWs) bands (ev): -37.6180 -37.6180 -35.5979 -35.5979 -35.5975 -35.5975 -18.8731 -18.8731 -18.5113 -18.5113 -18.4745 -18.4745 -16.8580 -16.8580 -16.8565 -16.8565 -16.4975 -16.4975 -16.4923 -16.4923 -16.4606 -16.4606 -16.4562 -16.4562 -11.3174 -11.3174 -11.3159 -11.3159 -0.3419 -0.3419 -0.2496 -0.2496 -0.0190 -0.0190 0.1008 0.1008 0.2261 0.2261 0.4509 0.4509 0.5157 0.5157 4.5190 4.5190 4.7828 4.7828 5.4613 5.4613 6.7715 6.7715 6.9027 6.9027 7.1005 7.1005 7.6588 7.6588 7.7394 7.7394 k = 0.8026-0.6194-1.2575 ( 8006 PWs) bands (ev): -37.6180 -37.6180 -35.5979 -35.5979 -35.5975 -35.5975 -18.8731 -18.8731 -18.5112 -18.5112 -18.4745 -18.4745 -16.8583 -16.8583 -16.8562 -16.8562 -16.4975 -16.4975 -16.4922 -16.4922 -16.4605 -16.4605 -16.4561 -16.4561 -11.3182 -11.3182 -11.3162 -11.3162 -0.3510 -0.3510 -0.2514 -0.2514 -0.0161 -0.0161 0.1076 0.1076 0.2350 0.2350 0.4462 0.4462 0.5218 0.5218 4.4898 4.4898 4.8305 4.8305 5.4538 5.4538 6.7451 6.7451 6.8804 6.8804 7.1433 7.1433 7.6794 7.6794 7.7335 7.7335 k = 0.7954-0.6022-1.2261 ( 8018 PWs) bands (ev): -37.6180 -37.6180 -35.5980 -35.5980 -35.5974 -35.5974 -18.8730 -18.8730 -18.5111 -18.5111 -18.4745 -18.4745 -16.8585 -16.8585 -16.8559 -16.8559 -16.4977 -16.4977 -16.4921 -16.4921 -16.4604 -16.4604 -16.4560 -16.4560 -11.3193 -11.3193 -11.3165 -11.3165 -0.3597 -0.3597 -0.2550 -0.2550 -0.0134 -0.0134 0.1160 0.1160 0.2456 0.2456 0.4410 0.4410 0.5292 0.5292 4.4653 4.4653 4.8789 4.8789 5.4444 5.4444 6.7186 6.7186 6.8581 6.8581 7.1821 7.1821 7.7000 7.7000 7.7277 7.7277 k = 0.7882-0.5851-1.1948 ( 8020 PWs) bands (ev): -37.6180 -37.6180 -35.5981 -35.5981 -35.5974 -35.5974 -18.8729 -18.8729 -18.5109 -18.5109 -18.4744 -18.4744 -16.8587 -16.8587 -16.8555 -16.8555 -16.4978 -16.4978 -16.4919 -16.4919 -16.4602 -16.4602 -16.4558 -16.4558 -11.3206 -11.3206 -11.3167 -11.3167 -0.3675 -0.3675 -0.2601 -0.2601 -0.0115 -0.0115 0.1260 0.1260 0.2576 0.2576 0.4355 0.4355 0.5379 0.5379 4.4457 4.4457 4.9279 4.9279 5.4330 5.4330 6.6926 6.6926 6.8362 6.8362 7.2147 7.2147 7.7182 7.7182 7.7247 7.7247 k = 0.7810-0.5679-1.1634 ( 8004 PWs) bands (ev): -37.6180 -37.6180 -35.5981 -35.5981 -35.5974 -35.5974 -18.8728 -18.8728 -18.5107 -18.5107 -18.4744 -18.4744 -16.8589 -16.8589 -16.8552 -16.8552 -16.4979 -16.4979 -16.4917 -16.4917 -16.4600 -16.4600 -16.4555 -16.4555 -11.3223 -11.3223 -11.3171 -11.3171 -0.3740 -0.3740 -0.2667 -0.2667 -0.0107 -0.0107 0.1376 0.1376 0.2706 0.2706 0.4300 0.4300 0.5476 0.5476 4.4311 4.4311 4.9775 4.9775 5.4198 5.4198 6.6677 6.6677 6.8148 6.8148 7.2390 7.2390 7.7182 7.7182 7.7389 7.7389 k = 0.7738-0.5508-1.1321 ( 8004 PWs) bands (ev): -37.6180 -37.6180 -35.5982 -35.5982 -35.5973 -35.5973 -18.8726 -18.8726 -18.5105 -18.5105 -18.4744 -18.4744 -16.8591 -16.8591 -16.8548 -16.8548 -16.4981 -16.4981 -16.4915 -16.4915 -16.4597 -16.4597 -16.4553 -16.4553 -11.3242 -11.3242 -11.3175 -11.3175 -0.3790 -0.3790 -0.2746 -0.2746 -0.0112 -0.0112 0.1505 0.1505 0.2843 0.2843 0.4249 0.4249 0.5583 0.5583 4.4216 4.4216 5.0272 5.0272 5.4048 5.4048 6.6439 6.6439 6.7941 6.7941 7.2531 7.2531 7.7172 7.7172 7.7481 7.7481 k = 0.7666-0.5336-1.1007 ( 8000 PWs) bands (ev): -37.6181 -37.6181 -35.5983 -35.5983 -35.5973 -35.5973 -18.8725 -18.8725 -18.5102 -18.5102 -18.4744 -18.4744 -16.8592 -16.8592 -16.8544 -16.8544 -16.4983 -16.4983 -16.4912 -16.4912 -16.4594 -16.4594 -16.4550 -16.4550 -11.3265 -11.3265 -11.3179 -11.3179 -0.3821 -0.3821 -0.2836 -0.2836 -0.0130 -0.0130 0.1641 0.1641 0.2983 0.2983 0.4206 0.4206 0.5699 0.5699 4.4172 4.4172 5.0768 5.0768 5.3884 5.3884 6.6215 6.6215 6.7742 6.7742 7.2556 7.2556 7.7184 7.7184 7.7356 7.7356 k = 0.7593-0.5165-1.0693 ( 7994 PWs) bands (ev): -37.6181 -37.6181 -35.5984 -35.5984 -35.5973 -35.5973 -18.8723 -18.8723 -18.5099 -18.5099 -18.4744 -18.4744 -16.8594 -16.8594 -16.8539 -16.8539 -16.4985 -16.4985 -16.4908 -16.4908 -16.4591 -16.4591 -16.4547 -16.4547 -11.3290 -11.3290 -11.3184 -11.3184 -0.3834 -0.3834 -0.2936 -0.2936 -0.0157 -0.0157 0.1781 0.1781 0.3121 0.3121 0.4177 0.4177 0.5824 0.5824 4.4179 4.4179 5.1257 5.1257 5.3710 5.3710 6.6006 6.6006 6.7552 6.7552 7.2462 7.2462 7.7003 7.7003 7.7229 7.7229 k = 0.7521-0.4993-1.0380 ( 7994 PWs) bands (ev): -37.6181 -37.6181 -35.5984 -35.5984 -35.5972 -35.5972 -18.8721 -18.8721 -18.5095 -18.5095 -18.4744 -18.4744 -16.8596 -16.8596 -16.8535 -16.8535 -16.4987 -16.4987 -16.4905 -16.4905 -16.4588 -16.4588 -16.4543 -16.4543 -11.3318 -11.3318 -11.3189 -11.3189 -0.3828 -0.3828 -0.3045 -0.3045 -0.0191 -0.0191 0.1919 0.1919 0.3252 0.3252 0.4170 0.4170 0.5957 0.5957 4.4237 4.4237 5.1722 5.1722 5.3541 5.3541 6.5812 6.5812 6.7373 6.7373 7.2254 7.2254 7.6578 7.6578 7.7256 7.7256 k = 0.7449-0.4822-1.0066 ( 7998 PWs) bands (ev): -37.6181 -37.6181 -35.5985 -35.5985 -35.5972 -35.5972 -18.8719 -18.8719 -18.5091 -18.5091 -18.4744 -18.4744 -16.8597 -16.8597 -16.8530 -16.8530 -16.4990 -16.4990 -16.4900 -16.4900 -16.4585 -16.4585 -16.4540 -16.4540 -11.3349 -11.3349 -11.3195 -11.3195 -0.3803 -0.3803 -0.3163 -0.3163 -0.0230 -0.0230 0.2048 0.2048 0.3371 0.3371 0.4194 0.4194 0.6097 0.6097 4.4346 4.4346 5.2123 5.2123 5.3416 5.3416 6.5635 6.5635 6.7204 6.7204 7.1947 7.1947 7.6117 7.6117 7.7227 7.7227 k = 0.7377-0.4651-0.9752 ( 8000 PWs) bands (ev): -37.6182 -37.6182 -35.5986 -35.5986 -35.5972 -35.5972 -18.8716 -18.8716 -18.5087 -18.5087 -18.4744 -18.4744 -16.8598 -16.8598 -16.8525 -16.8525 -16.4992 -16.4992 -16.4896 -16.4896 -16.4581 -16.4581 -16.4536 -16.4536 -11.3382 -11.3382 -11.3201 -11.3201 -0.3760 -0.3760 -0.3291 -0.3291 -0.0270 -0.0270 0.2164 0.2164 0.3475 0.3475 0.4255 0.4255 0.6243 0.6243 4.4505 4.4505 5.2349 5.2349 5.3446 5.3446 6.5475 6.5475 6.7047 6.7047 7.1561 7.1561 7.5639 7.5639 7.7035 7.7036 k = 0.7305-0.4479-0.9439 ( 8000 PWs) bands (ev): -37.6182 -37.6182 -35.5987 -35.5987 -35.5971 -35.5971 -18.8714 -18.8714 -18.5082 -18.5082 -18.4744 -18.4744 -16.8600 -16.8600 -16.8520 -16.8520 -16.4994 -16.4994 -16.4891 -16.4891 -16.4577 -16.4577 -16.4531 -16.4531 -11.3418 -11.3418 -11.3208 -11.3208 -0.3702 -0.3702 -0.3426 -0.3426 -0.0307 -0.0307 0.2260 0.2260 0.3569 0.3569 0.4352 0.4352 0.6394 0.6394 4.4714 4.4714 5.2310 5.2310 5.3719 5.3719 6.5331 6.5331 6.6902 6.6902 7.1114 7.1114 7.5153 7.5153 7.6715 7.6716 k = 0.7233-0.4308-0.9125 ( 8008 PWs) bands (ev): -37.6182 -37.6182 -35.5988 -35.5988 -35.5971 -35.5971 -18.8711 -18.8711 -18.5077 -18.5077 -18.4744 -18.4744 -16.8601 -16.8601 -16.8515 -16.8515 -16.4997 -16.4997 -16.4886 -16.4886 -16.4574 -16.4574 -16.4527 -16.4527 -11.3456 -11.3456 -11.3215 -11.3215 -0.3648 -0.3648 -0.3553 -0.3553 -0.0337 -0.0337 0.2335 0.2335 0.3663 0.3663 0.4479 0.4479 0.6550 0.6550 4.4971 4.4971 5.2107 5.2107 5.4131 5.4131 6.5202 6.5202 6.6769 6.6769 7.0626 7.0626 7.4661 7.4661 7.6371 7.6372 k = 0.7161-0.4136-0.8811 ( 8018 PWs) bands (ev): -37.6183 -37.6183 -35.5989 -35.5989 -35.5971 -35.5971 -18.8708 -18.8708 -18.5072 -18.5072 -18.4744 -18.4744 -16.8602 -16.8602 -16.8510 -16.8510 -16.4999 -16.4999 -16.4881 -16.4881 -16.4569 -16.4569 -16.4523 -16.4523 -11.3497 -11.3497 -11.3223 -11.3223 -0.3750 -0.3750 -0.3523 -0.3523 -0.0358 -0.0358 0.2390 0.2390 0.3764 0.3764 0.4627 0.4627 0.6709 0.6709 4.5274 4.5274 5.1834 5.1834 5.4589 5.4589 6.5087 6.5087 6.6648 6.6648 7.0112 7.0112 7.4168 7.4168 7.6037 7.6037 k = 0.7089-0.3965-0.8498 ( 8016 PWs) bands (ev): -37.6183 -37.6183 -35.5990 -35.5990 -35.5971 -35.5971 -18.8705 -18.8705 -18.5066 -18.5066 -18.4745 -18.4745 -16.8603 -16.8603 -16.8505 -16.8505 -16.5002 -16.5002 -16.4876 -16.4876 -16.4565 -16.4565 -16.4518 -16.4518 -11.3540 -11.3540 -11.3231 -11.3231 -0.3916 -0.3916 -0.3431 -0.3431 -0.0366 -0.0366 0.2428 0.2428 0.3876 0.3876 0.4790 0.4790 0.6872 0.6872 4.5623 4.5623 5.1521 5.1521 5.5059 5.5059 6.4981 6.4981 6.6540 6.6540 6.9588 6.9588 7.3676 7.3676 7.5718 7.5718 k = 0.7017-0.3793-0.8184 ( 8010 PWs) bands (ev): -37.6184 -37.6184 -35.5991 -35.5991 -35.5971 -35.5971 -18.8701 -18.8701 -18.5060 -18.5060 -18.4745 -18.4745 -16.8604 -16.8604 -16.8499 -16.8499 -16.5004 -16.5004 -16.4870 -16.4870 -16.4561 -16.4561 -16.4513 -16.4513 -11.3585 -11.3585 -11.3240 -11.3240 -0.4097 -0.4097 -0.3332 -0.3332 -0.0356 -0.0356 0.2457 0.2457 0.3998 0.3998 0.4961 0.4961 0.7036 0.7036 4.6015 4.6015 5.1180 5.1180 5.5529 5.5529 6.4882 6.4882 6.6445 6.6445 6.9067 6.9067 7.3186 7.3186 7.5414 7.5414 k = 0.6945-0.3622-0.7871 ( 8010 PWs) bands (ev): -37.6184 -37.6184 -35.5991 -35.5991 -35.5971 -35.5971 -18.8698 -18.8698 -18.5053 -18.5053 -18.4745 -18.4745 -16.8604 -16.8604 -16.8493 -16.8493 -16.5006 -16.5006 -16.4864 -16.4864 -16.4556 -16.4556 -16.4507 -16.4507 -11.3632 -11.3632 -11.3249 -11.3249 -0.4289 -0.4289 -0.3234 -0.3234 -0.0325 -0.0325 0.2484 0.2484 0.4129 0.4129 0.5138 0.5138 0.7201 0.7201 4.6450 4.6450 5.0815 5.0815 5.5992 5.5992 6.4780 6.4780 6.6361 6.6361 6.8563 6.8563 7.2701 7.2701 7.5124 7.5124 k = 0.6873-0.3450-0.7557 ( 8014 PWs) bands (ev): -37.6184 -37.6184 -35.5992 -35.5992 -35.5970 -35.5970 -18.8694 -18.8694 -18.5047 -18.5047 -18.4746 -18.4746 -16.8605 -16.8605 -16.8488 -16.8488 -16.5008 -16.5008 -16.4858 -16.4858 -16.4552 -16.4552 -16.4502 -16.4502 -11.3680 -11.3680 -11.3258 -11.3258 -0.4490 -0.4490 -0.3143 -0.3143 -0.0270 -0.0270 0.2516 0.2516 0.4264 0.4264 0.5318 0.5318 0.7366 0.7366 4.6923 4.6923 5.0431 5.0431 5.6444 5.6444 6.4666 6.4666 6.6289 6.6289 6.8092 6.8092 7.2222 7.2222 7.4844 7.4844 k = 0.6801-0.3279-0.7243 ( 8010 PWs) bands (ev): -37.6185 -37.6185 -35.5993 -35.5993 -35.5970 -35.5970 -18.8691 -18.8691 -18.5040 -18.5040 -18.4746 -18.4746 -16.8605 -16.8605 -16.8482 -16.8482 -16.5010 -16.5010 -16.4852 -16.4852 -16.4547 -16.4547 -16.4496 -16.4496 -11.3730 -11.3730 -11.3267 -11.3267 -0.4700 -0.4700 -0.3066 -0.3066 -0.0186 -0.0186 0.2558 0.2558 0.4403 0.4403 0.5501 0.5501 0.7531 0.7531 4.7435 4.7435 5.0029 5.0029 5.6881 5.6881 6.4524 6.4524 6.6228 6.6228 6.7673 6.7673 7.1751 7.1751 7.4570 7.4570 k = 0.6729-0.3107-0.6930 ( 8004 PWs) bands (ev): -37.6185 -37.6185 -35.5994 -35.5994 -35.5970 -35.5970 -18.8687 -18.8687 -18.5032 -18.5032 -18.4747 -18.4747 -16.8606 -16.8606 -16.8476 -16.8476 -16.5012 -16.5012 -16.4846 -16.4846 -16.4542 -16.4542 -16.4490 -16.4490 -11.3780 -11.3780 -11.3277 -11.3277 -0.4918 -0.4918 -0.3007 -0.3007 -0.0071 -0.0071 0.2614 0.2614 0.4542 0.4542 0.5686 0.5686 0.7695 0.7695 4.7981 4.7981 4.9610 4.9610 5.7300 5.7300 6.4336 6.4336 6.6176 6.6176 6.7326 6.7326 7.1291 7.1291 7.4298 7.4298 k = 0.6657-0.2936-0.6616 ( 7996 PWs) bands (ev): -37.6186 -37.6186 -35.5995 -35.5995 -35.5970 -35.5970 -18.8683 -18.8683 -18.5025 -18.5025 -18.4748 -18.4748 -16.8606 -16.8606 -16.8470 -16.8470 -16.5013 -16.5013 -16.4840 -16.4840 -16.4538 -16.4538 -16.4484 -16.4484 -11.3832 -11.3832 -11.3287 -11.3287 -0.5141 -0.5141 -0.2971 -0.2971 0.0075 0.0075 0.2688 0.2688 0.4680 0.4680 0.5871 0.5871 0.7857 0.7857 4.8560 4.8560 4.9176 4.9176 5.7699 5.7699 6.4088 6.4088 6.6133 6.6133 6.7067 6.7067 7.0844 7.0844 7.4022 7.4022 k = 0.6585-0.2764-0.6302 ( 8010 PWs) bands (ev): -37.6186 -37.6186 -35.5996 -35.5996 -35.5970 -35.5970 -18.8679 -18.8679 -18.5018 -18.5018 -18.4748 -18.4748 -16.8606 -16.8606 -16.8465 -16.8465 -16.5015 -16.5015 -16.4834 -16.4834 -16.4533 -16.4533 -16.4478 -16.4478 -11.3884 -11.3884 -11.3297 -11.3297 -0.5368 -0.5368 -0.2959 -0.2959 0.0253 0.0253 0.2781 0.2781 0.4817 0.4817 0.6057 0.6057 0.8015 0.8015 4.8729 4.8729 4.9169 4.9169 5.8076 5.8076 6.3774 6.3774 6.6096 6.6096 6.6902 6.6902 7.0411 7.0411 7.3739 7.3739 k = 0.6513-0.2593-0.5989 ( 8016 PWs) bands (ev): -37.6187 -37.6187 -35.5997 -35.5997 -35.5970 -35.5970 -18.8676 -18.8676 -18.5010 -18.5010 -18.4749 -18.4749 -16.8606 -16.8606 -16.8459 -16.8459 -16.5017 -16.5017 -16.4828 -16.4828 -16.4529 -16.4529 -16.4472 -16.4472 -11.3936 -11.3936 -11.3307 -11.3307 -0.5597 -0.5597 -0.2972 -0.2972 0.0459 0.0459 0.2895 0.2895 0.4951 0.4951 0.6244 0.6244 0.8170 0.8170 4.8270 4.8270 4.9804 4.9804 5.8427 5.8427 6.3402 6.3402 6.6066 6.6066 6.6822 6.6822 6.9996 6.9996 7.3443 7.3443 k = 0.6441-0.2422-0.5675 ( 8018 PWs) bands (ev): -37.6187 -37.6187 -35.5998 -35.5998 -35.5970 -35.5970 -18.8672 -18.8672 -18.5003 -18.5003 -18.4750 -18.4750 -16.8606 -16.8606 -16.8454 -16.8454 -16.5018 -16.5018 -16.4822 -16.4822 -16.4524 -16.4524 -16.4466 -16.4466 -11.3988 -11.3988 -11.3317 -11.3317 -0.5826 -0.5826 -0.3007 -0.3007 0.0689 0.0689 0.3027 0.3027 0.5084 0.5084 0.6431 0.6431 0.8321 0.8321 4.7802 4.7802 5.0463 5.0463 5.8751 5.8751 6.2988 6.2988 6.6040 6.6040 6.6812 6.6812 6.9601 6.9601 7.3134 7.3134 k = 0.6369-0.2250-0.5361 ( 8008 PWs) bands (ev): -37.6188 -37.6188 -35.5999 -35.5999 -35.5970 -35.5970 -18.8668 -18.8668 -18.4995 -18.4995 -18.4751 -18.4751 -16.8606 -16.8606 -16.8448 -16.8448 -16.5019 -16.5019 -16.4816 -16.4816 -16.4519 -16.4519 -16.4459 -16.4459 -11.4041 -11.4041 -11.3327 -11.3327 -0.6054 -0.6054 -0.3061 -0.3061 0.0937 0.0937 0.3178 0.3178 0.5214 0.5214 0.6620 0.6620 0.8467 0.8467 4.7327 4.7327 5.1142 5.1142 5.9044 5.9044 6.2548 6.2548 6.6015 6.6015 6.6855 6.6855 6.9233 6.9233 7.2812 7.2812 k = 0.6297-0.2079-0.5048 ( 8010 PWs) bands (ev): -37.6188 -37.6188 -35.6000 -35.6000 -35.5970 -35.5970 -18.8664 -18.8664 -18.4988 -18.4988 -18.4751 -18.4751 -16.8606 -16.8606 -16.8443 -16.8443 -16.5021 -16.5021 -16.4810 -16.4810 -16.4515 -16.4515 -16.4453 -16.4453 -11.4092 -11.4092 -11.3337 -11.3337 -0.6280 -0.6280 -0.3131 -0.3131 0.1198 0.1198 0.3344 0.3344 0.5344 0.5344 0.6810 0.6810 0.8608 0.8608 4.6845 4.6845 5.1838 5.1838 5.9302 5.9302 6.2099 6.2099 6.5986 6.5986 6.6937 6.6937 6.8895 6.8895 7.2479 7.2479 k = 0.6225-0.1907-0.4734 ( 8010 PWs) bands (ev): -37.6189 -37.6189 -35.6001 -35.6001 -35.5970 -35.5970 -18.8660 -18.8660 -18.4980 -18.4980 -18.4752 -18.4752 -16.8606 -16.8606 -16.8437 -16.8437 -16.5022 -16.5022 -16.4804 -16.4804 -16.4511 -16.4511 -16.4447 -16.4447 -11.4143 -11.4143 -11.3347 -11.3347 -0.6502 -0.6502 -0.3213 -0.3213 0.1468 0.1468 0.3521 0.3521 0.5473 0.5473 0.7003 0.7003 0.8743 0.8743 4.6361 4.6361 5.2548 5.2548 5.9516 5.9516 6.1660 6.1660 6.5946 6.5946 6.7048 6.7048 6.8593 6.8593 7.2139 7.2139 k = 0.6153-0.1736-0.4421 ( 8012 PWs) bands (ev): -37.6189 -37.6189 -35.6001 -35.6001 -35.5970 -35.5970 -18.8657 -18.8657 -18.4973 -18.4973 -18.4753 -18.4753 -16.8606 -16.8606 -16.8432 -16.8432 -16.5023 -16.5023 -16.4799 -16.4799 -16.4506 -16.4506 -16.4441 -16.4441 -11.4193 -11.4193 -11.3356 -11.3356 -0.6717 -0.6717 -0.3305 -0.3305 0.1741 0.1741 0.3706 0.3706 0.5604 0.5604 0.7199 0.7199 0.8871 0.8871 4.5874 4.5874 5.3265 5.3265 5.9666 5.9666 6.1257 6.1257 6.5889 6.5889 6.7180 6.7180 6.8337 6.8337 7.1796 7.1797 k = 0.6081-0.1564-0.4107 ( 8012 PWs) bands (ev): -37.6189 -37.6189 -35.6002 -35.6002 -35.5970 -35.5970 -18.8653 -18.8653 -18.4966 -18.4966 -18.4754 -18.4754 -16.8606 -16.8606 -16.8428 -16.8428 -16.5024 -16.5024 -16.4794 -16.4794 -16.4502 -16.4502 -16.4435 -16.4435 -11.4241 -11.4241 -11.3366 -11.3366 -0.6926 -0.6926 -0.3403 -0.3403 0.2013 0.2013 0.3893 0.3893 0.5736 0.5736 0.7399 0.7399 0.8993 0.8993 4.5390 4.5390 5.3987 5.3987 5.9707 5.9707 6.0944 6.0944 6.5807 6.5807 6.7326 6.7326 6.8131 6.8131 7.1456 7.1456 k = 0.6009-0.1393-0.3793 ( 8022 PWs) bands (ev): -37.6190 -37.6190 -35.6003 -35.6003 -35.5970 -35.5970 -18.8650 -18.8650 -18.4959 -18.4959 -18.4754 -18.4754 -16.8606 -16.8606 -16.8423 -16.8423 -16.5025 -16.5025 -16.4789 -16.4789 -16.4498 -16.4498 -16.4429 -16.4429 -11.4287 -11.4287 -11.3375 -11.3375 -0.7127 -0.7127 -0.3505 -0.3505 0.2281 0.2281 0.4077 0.4077 0.5871 0.5871 0.7603 0.7603 0.9108 0.9108 4.4909 4.4909 5.4708 5.4708 5.9577 5.9577 6.0787 6.0787 6.5696 6.5696 6.7481 6.7481 6.7982 6.7982 7.1124 7.1124 k = 0.5937-0.1221-0.3480 ( 8028 PWs) bands (ev): -37.6190 -37.6190 -35.6004 -35.6004 -35.5971 -35.5971 -18.8647 -18.8647 -18.4952 -18.4952 -18.4755 -18.4755 -16.8606 -16.8606 -16.8419 -16.8419 -16.5026 -16.5026 -16.4784 -16.4784 -16.4495 -16.4495 -16.4423 -16.4423 -11.4332 -11.4332 -11.3383 -11.3383 -0.7319 -0.7319 -0.3608 -0.3608 0.2542 0.2542 0.4251 0.4251 0.6009 0.6009 0.7813 0.7813 0.9216 0.9216 4.4435 4.4435 5.5423 5.5423 5.9292 5.9292 6.0774 6.0774 6.5556 6.5556 6.7639 6.7639 6.7892 6.7892 7.0802 7.0802 k = 0.5864-0.1050-0.3166 ( 8030 PWs) bands (ev): -37.6191 -37.6191 -35.6004 -35.6004 -35.5971 -35.5971 -18.8643 -18.8643 -18.4946 -18.4946 -18.4755 -18.4755 -16.8605 -16.8605 -16.8414 -16.8414 -16.5026 -16.5026 -16.4780 -16.4780 -16.4491 -16.4491 -16.4418 -16.4418 -11.4374 -11.4374 -11.3392 -11.3392 -0.7500 -0.7500 -0.3710 -0.3710 0.2795 0.2795 0.4411 0.4411 0.6148 0.6148 0.8029 0.8029 0.9318 0.9318 4.3971 4.3971 5.6126 5.6126 5.8937 5.8937 6.0830 6.0830 6.5392 6.5392 6.7773 6.7773 6.7877 6.7877 7.0495 7.0495 k = 0.5792-0.0878-0.2852 ( 8040 PWs) bands (ev): -37.6191 -37.6191 -35.6005 -35.6005 -35.5971 -35.5971 -18.8641 -18.8641 -18.4940 -18.4940 -18.4756 -18.4756 -16.8605 -16.8605 -16.8411 -16.8411 -16.5027 -16.5027 -16.4776 -16.4776 -16.4488 -16.4488 -16.4413 -16.4413 -11.4414 -11.4414 -11.3400 -11.3400 -0.7670 -0.7670 -0.3810 -0.3810 0.3036 0.3036 0.4555 0.4555 0.6287 0.6287 0.8248 0.8248 0.9414 0.9414 4.3521 4.3521 5.6810 5.6810 5.8563 5.8563 6.0904 6.0904 6.5211 6.5211 6.7816 6.7816 6.7991 6.7991 7.0205 7.0205 k = 0.5720-0.0707-0.2539 ( 8040 PWs) bands (ev): -37.6191 -37.6191 -35.6006 -35.6006 -35.5971 -35.5971 -18.8638 -18.8638 -18.4935 -18.4935 -18.4756 -18.4756 -16.8605 -16.8605 -16.8407 -16.8407 -16.5027 -16.5027 -16.4772 -16.4772 -16.4485 -16.4485 -16.4408 -16.4408 -11.4452 -11.4452 -11.3407 -11.3407 -0.7828 -0.7828 -0.3905 -0.3905 0.3265 0.3265 0.4679 0.4679 0.6422 0.6422 0.8467 0.8467 0.9506 0.9506 4.3089 4.3089 5.7466 5.7466 5.8199 5.8199 6.0979 6.0979 6.5020 6.5020 6.7853 6.7853 6.8141 6.8141 6.9937 6.9937 k = 0.5648-0.0535-0.2225 ( 8048 PWs) bands (ev): -37.6192 -37.6192 -35.6006 -35.6006 -35.5971 -35.5971 -18.8635 -18.8635 -18.4930 -18.4930 -18.4757 -18.4757 -16.8605 -16.8605 -16.8404 -16.8404 -16.5028 -16.5028 -16.4769 -16.4769 -16.4482 -16.4482 -16.4403 -16.4403 -11.4486 -11.4486 -11.3414 -11.3414 -0.7974 -0.7974 -0.3996 -0.3996 0.3479 0.3479 0.4786 0.4786 0.6551 0.6551 0.8683 0.8683 0.9596 0.9596 4.2678 4.2678 5.7821 5.7821 5.8123 5.8123 6.1047 6.1047 6.4828 6.4828 6.7910 6.7910 6.8286 6.8286 6.9693 6.9693 k = 0.5576-0.0364-0.1912 ( 8046 PWs) bands (ev): -37.6192 -37.6192 -35.6007 -35.6007 -35.5971 -35.5971 -18.8633 -18.8633 -18.4925 -18.4925 -18.4757 -18.4757 -16.8605 -16.8605 -16.8401 -16.8401 -16.5028 -16.5028 -16.4766 -16.4766 -16.4479 -16.4479 -16.4399 -16.4399 -11.4518 -11.4518 -11.3420 -11.3420 -0.8106 -0.8106 -0.4079 -0.4079 0.3678 0.3678 0.4874 0.4874 0.6671 0.6671 0.8886 0.8886 0.9687 0.9687 4.2293 4.2293 5.7510 5.7510 5.8699 5.8699 6.1106 6.1106 6.4638 6.4638 6.7983 6.7983 6.8420 6.8420 6.9475 6.9475 k = 0.5504-0.0193-0.1598 ( 8066 PWs) bands (ev): -37.6192 -37.6192 -35.6007 -35.6007 -35.5971 -35.5971 -18.8631 -18.8631 -18.4921 -18.4921 -18.4758 -18.4758 -16.8605 -16.8605 -16.8398 -16.8398 -16.5029 -16.5029 -16.4763 -16.4763 -16.4477 -16.4477 -16.4395 -16.4395 -11.4546 -11.4546 -11.3425 -11.3425 -0.8223 -0.8223 -0.4155 -0.4155 0.3859 0.3859 0.4947 0.4947 0.6779 0.6779 0.9068 0.9068 0.9784 0.9784 4.1938 4.1938 5.7216 5.7216 5.9244 5.9244 6.1156 6.1156 6.4456 6.4456 6.8065 6.8065 6.8534 6.8534 6.9290 6.9290 k = 0.5432-0.0021-0.1284 ( 8070 PWs) bands (ev): -37.6193 -37.6193 -35.6008 -35.6008 -35.5971 -35.5971 -18.8630 -18.8630 -18.4918 -18.4918 -18.4758 -18.4758 -16.8604 -16.8604 -16.8396 -16.8396 -16.5029 -16.5029 -16.4761 -16.4761 -16.4475 -16.4475 -16.4392 -16.4392 -11.4571 -11.4571 -11.3430 -11.3430 -0.8326 -0.8326 -0.4223 -0.4223 0.4022 0.4022 0.5005 0.5005 0.6875 0.6875 0.9220 0.9220 0.9890 0.9890 4.1618 4.1618 5.6954 5.6954 5.9740 5.9740 6.1197 6.1197 6.4283 6.4283 6.8153 6.8153 6.8619 6.8619 6.9147 6.9147 k = 0.5360 0.0150-0.0971 ( 8066 PWs) bands (ev): -37.6193 -37.6193 -35.6008 -35.6008 -35.5971 -35.5971 -18.8628 -18.8628 -18.4915 -18.4915 -18.4758 -18.4758 -16.8604 -16.8604 -16.8394 -16.8394 -16.5030 -16.5030 -16.4759 -16.4759 -16.4473 -16.4473 -16.4389 -16.4389 -11.4592 -11.4592 -11.3434 -11.3434 -0.8414 -0.8414 -0.4281 -0.4281 0.4164 0.4164 0.5051 0.5051 0.6956 0.6956 0.9337 0.9337 1.0002 1.0002 4.1338 4.1338 5.6727 5.6727 6.0179 6.0179 6.1231 6.1231 6.4123 6.4123 6.8239 6.8239 6.8653 6.8653 6.9066 6.9066 k = 0.5288 0.0322-0.0657 ( 8062 PWs) bands (ev): -37.6193 -37.6193 -35.6008 -35.6008 -35.5971 -35.5971 -18.8627 -18.8627 -18.4912 -18.4912 -18.4758 -18.4758 -16.8604 -16.8604 -16.8392 -16.8392 -16.5030 -16.5030 -16.4757 -16.4757 -16.4472 -16.4472 -16.4387 -16.4387 -11.4609 -11.4609 -11.3438 -11.3438 -0.8487 -0.8487 -0.4330 -0.4330 0.4284 0.4284 0.5085 0.5085 0.7022 0.7022 0.9421 0.9421 1.0114 1.0114 4.1102 4.1102 5.6539 5.6539 6.0554 6.0554 6.1258 6.1258 6.3978 6.3978 6.8318 6.8318 6.8630 6.8630 6.9053 6.9053 k = 0.5216 0.0493-0.0343 ( 8056 PWs) bands (ev): -37.6193 -37.6193 -35.6008 -35.6008 -35.5971 -35.5971 -18.8626 -18.8626 -18.4910 -18.4910 -18.4758 -18.4758 -16.8604 -16.8604 -16.8390 -16.8390 -16.5030 -16.5030 -16.4756 -16.4756 -16.4470 -16.4470 -16.4385 -16.4385 -11.4623 -11.4623 -11.3441 -11.3441 -0.8543 -0.8543 -0.4368 -0.4368 0.4379 0.4379 0.5110 0.5110 0.7074 0.7074 0.9479 0.9479 1.0215 1.0215 4.0914 4.0914 5.6390 5.6390 6.0858 6.0858 6.1281 6.1281 6.3853 6.3853 6.8385 6.8385 6.8578 6.8578 6.9078 6.9078 k = 0.5144 0.0665-0.0030 ( 8060 PWs) bands (ev): -37.6193 -37.6193 -35.6009 -35.6009 -35.5971 -35.5971 -18.8625 -18.8625 -18.4909 -18.4909 -18.4758 -18.4758 -16.8604 -16.8604 -16.8390 -16.8390 -16.5030 -16.5030 -16.4755 -16.4755 -16.4470 -16.4470 -16.4383 -16.4383 -11.4633 -11.4633 -11.3442 -11.3442 -0.8584 -0.8584 -0.4395 -0.4395 0.4449 0.4449 0.5126 0.5126 0.7111 0.7111 0.9516 0.9516 1.0295 1.0295 4.0777 4.0777 5.6284 5.6284 6.1077 6.1077 6.1305 6.1305 6.3754 6.3754 6.8435 6.8435 6.8531 6.8531 6.9108 6.9108 k = 0.5072 0.0836 0.0284 ( 8054 PWs) bands (ev): -37.6193 -37.6193 -35.6009 -35.6009 -35.5971 -35.5971 -18.8625 -18.8625 -18.4908 -18.4908 -18.4758 -18.4758 -16.8604 -16.8604 -16.8389 -16.8389 -16.5030 -16.5030 -16.4754 -16.4754 -16.4469 -16.4469 -16.4382 -16.4382 -11.4639 -11.4639 -11.3444 -11.3444 -0.8609 -0.8609 -0.4412 -0.4412 0.4492 0.4492 0.5135 0.5135 0.7133 0.7133 0.9537 0.9537 1.0345 1.0345 4.0694 4.0694 5.6219 5.6219 6.1194 6.1194 6.1339 6.1339 6.3689 6.3689 6.8461 6.8461 6.8506 6.8506 6.9129 6.9129 k = 0.5000 0.1008 0.0598 ( 8052 PWs) bands (ev): -37.6193 -37.6193 -35.6009 -35.6009 -35.5971 -35.5971 -18.8624 -18.8624 -18.4907 -18.4907 -18.4758 -18.4758 -16.8604 -16.8604 -16.8389 -16.8389 -16.5030 -16.5030 -16.4754 -16.4754 -16.4469 -16.4469 -16.4382 -16.4382 -11.4641 -11.4641 -11.3444 -11.3444 -0.8617 -0.8617 -0.4418 -0.4418 0.4507 0.4507 0.5138 0.5138 0.7140 0.7140 0.9544 0.9544 1.0363 1.0363 4.0666 4.0666 5.6198 5.6198 6.1224 6.1224 6.1362 6.1362 6.3667 6.3667 6.8464 6.8464 6.8503 6.8503 6.9137 6.9137 k = 0.5000 0.1008 0.0598 ( 8052 PWs) bands (ev): -37.6193 -37.6193 -35.6009 -35.6009 -35.5971 -35.5971 -18.8624 -18.8624 -18.4907 -18.4907 -18.4758 -18.4758 -16.8604 -16.8604 -16.8389 -16.8389 -16.5030 -16.5030 -16.4754 -16.4754 -16.4469 -16.4469 -16.4382 -16.4382 -11.4641 -11.4641 -11.3444 -11.3444 -0.8617 -0.8617 -0.4418 -0.4418 0.4507 0.4507 0.5138 0.5138 0.7140 0.7140 0.9544 0.9544 1.0363 1.0363 4.0666 4.0666 5.6198 5.6198 6.1224 6.1224 6.1362 6.1362 6.3667 6.3667 6.8464 6.8464 6.8503 6.8503 6.9137 6.9137 k = 0.4667 0.0941 0.0558 ( 8046 PWs) bands (ev): -37.6193 -37.6193 -35.6009 -35.6009 -35.5971 -35.5971 -18.8624 -18.8624 -18.4907 -18.4907 -18.4758 -18.4758 -16.8604 -16.8604 -16.8389 -16.8389 -16.5030 -16.5030 -16.4754 -16.4754 -16.4469 -16.4469 -16.4382 -16.4382 -11.4641 -11.4641 -11.3444 -11.3444 -0.8633 -0.8633 -0.4388 -0.4388 0.4506 0.4506 0.5131 0.5131 0.7140 0.7140 0.9531 0.9531 1.0362 1.0362 4.0701 4.0701 5.6160 5.6160 6.1227 6.1227 6.1365 6.1365 6.3673 6.3673 6.8461 6.8461 6.8500 6.8500 6.9106 6.9106 k = 0.4333 0.0873 0.0518 ( 8046 PWs) bands (ev): -37.6193 -37.6193 -35.6009 -35.6009 -35.5971 -35.5971 -18.8624 -18.8624 -18.4907 -18.4907 -18.4758 -18.4758 -16.8604 -16.8604 -16.8389 -16.8389 -16.5030 -16.5030 -16.4754 -16.4754 -16.4469 -16.4469 -16.4382 -16.4382 -11.4641 -11.4641 -11.3444 -11.3444 -0.8678 -0.8678 -0.4303 -0.4303 0.4504 0.4504 0.5107 0.5107 0.7141 0.7141 0.9492 0.9492 1.0362 1.0362 4.0808 4.0808 5.6046 5.6046 6.1237 6.1237 6.1376 6.1376 6.3693 6.3693 6.8449 6.8449 6.8494 6.8494 6.9017 6.9017 k = 0.4000 0.0806 0.0478 ( 8049 PWs) bands (ev): -37.6193 -37.6193 -35.6009 -35.6009 -35.5971 -35.5971 -18.8624 -18.8624 -18.4907 -18.4907 -18.4758 -18.4758 -16.8604 -16.8604 -16.8388 -16.8388 -16.5030 -16.5030 -16.4754 -16.4754 -16.4469 -16.4469 -16.4382 -16.4382 -11.4641 -11.4641 -11.3444 -11.3444 -0.8749 -0.8749 -0.4166 -0.4166 0.4500 0.4500 0.5069 0.5069 0.7141 0.7141 0.9431 0.9431 1.0361 1.0361 4.0983 4.0983 5.5859 5.5859 6.1254 6.1254 6.1394 6.1394 6.3727 6.3727 6.8428 6.8428 6.8483 6.8483 6.8879 6.8879 k = 0.3667 0.0739 0.0438 ( 8049 PWs) bands (ev): -37.6193 -37.6193 -35.6009 -35.6009 -35.5971 -35.5971 -18.8624 -18.8624 -18.4907 -18.4907 -18.4758 -18.4758 -16.8604 -16.8604 -16.8388 -16.8388 -16.5031 -16.5031 -16.4753 -16.4753 -16.4469 -16.4469 -16.4382 -16.4382 -11.4642 -11.4642 -11.3443 -11.3443 -0.8839 -0.8839 -0.3986 -0.3986 0.4493 0.4493 0.5017 0.5017 0.7142 0.7142 0.9349 0.9349 1.0360 1.0360 4.1222 4.1222 5.5602 5.5602 6.1275 6.1275 6.1418 6.1418 6.3775 6.3775 6.8385 6.8385 6.8468 6.8468 6.8711 6.8711 k = 0.3333 0.0672 0.0398 ( 8043 PWs) bands (ev): -37.6193 -37.6193 -35.6009 -35.6009 -35.5971 -35.5971 -18.8624 -18.8624 -18.4907 -18.4907 -18.4758 -18.4758 -16.8605 -16.8605 -16.8388 -16.8388 -16.5031 -16.5031 -16.4753 -16.4753 -16.4469 -16.4469 -16.4382 -16.4382 -11.4642 -11.4642 -11.3443 -11.3443 -0.8941 -0.8941 -0.3771 -0.3771 0.4481 0.4481 0.4952 0.4952 0.7143 0.7143 0.9253 0.9253 1.0358 1.0358 4.1523 4.1523 5.5280 5.5280 6.1302 6.1302 6.1448 6.1448 6.3839 6.3839 6.8284 6.8284 6.8450 6.8450 6.8562 6.8562 k = 0.3000 0.0605 0.0359 ( 8049 PWs) bands (ev): -37.6193 -37.6193 -35.6009 -35.6009 -35.5971 -35.5971 -18.8624 -18.8624 -18.4907 -18.4907 -18.4758 -18.4758 -16.8605 -16.8605 -16.8388 -16.8388 -16.5031 -16.5031 -16.4753 -16.4753 -16.4469 -16.4469 -16.4382 -16.4382 -11.4642 -11.4642 -11.3442 -11.3442 -0.9048 -0.9048 -0.3532 -0.3532 0.4460 0.4460 0.4879 0.4879 0.7145 0.7145 0.9146 0.9146 1.0357 1.0357 4.1877 4.1877 5.4898 5.4898 6.1332 6.1332 6.1481 6.1481 6.3919 6.3919 6.8087 6.8087 6.8429 6.8429 6.8480 6.8480 k = 0.2667 0.0537 0.0319 ( 8055 PWs) bands (ev): -37.6193 -37.6193 -35.6009 -35.6009 -35.5971 -35.5971 -18.8624 -18.8624 -18.4907 -18.4907 -18.4758 -18.4758 -16.8605 -16.8605 -16.8388 -16.8388 -16.5031 -16.5031 -16.4752 -16.4752 -16.4469 -16.4469 -16.4382 -16.4382 -11.4643 -11.4643 -11.3442 -11.3442 -0.9156 -0.9156 -0.3275 -0.3275 0.4426 0.4426 0.4805 0.4805 0.7146 0.7146 0.9035 0.9035 1.0355 1.0355 4.2277 4.2277 5.4467 5.4467 6.1365 6.1365 6.1517 6.1517 6.4016 6.4016 6.7833 6.7833 6.8406 6.8406 6.8436 6.8436 k = 0.2333 0.0470 0.0279 ( 8054 PWs) bands (ev): -37.6193 -37.6193 -35.6009 -35.6009 -35.5971 -35.5971 -18.8624 -18.8624 -18.4907 -18.4907 -18.4758 -18.4758 -16.8605 -16.8605 -16.8387 -16.8387 -16.5032 -16.5032 -16.4752 -16.4752 -16.4469 -16.4469 -16.4382 -16.4382 -11.4643 -11.4643 -11.3442 -11.3442 -0.9259 -0.9259 -0.3012 -0.3012 0.4368 0.4368 0.4740 0.4740 0.7147 0.7147 0.8924 0.8924 1.0353 1.0353 4.2714 4.2714 5.3996 5.3996 6.1399 6.1399 6.1555 6.1555 6.4130 6.4130 6.7558 6.7558 6.8383 6.8383 6.8404 6.8404 k = 0.2000 0.0403 0.0239 ( 8042 PWs) bands (ev): -37.6193 -37.6193 -35.6009 -35.6009 -35.5971 -35.5971 -18.8624 -18.8624 -18.4907 -18.4907 -18.4758 -18.4758 -16.8605 -16.8605 -16.8387 -16.8387 -16.5032 -16.5032 -16.4752 -16.4752 -16.4469 -16.4469 -16.4382 -16.4382 -11.4644 -11.4644 -11.3441 -11.3441 -0.9354 -0.9354 -0.2750 -0.2750 0.4283 0.4283 0.4693 0.4693 0.7149 0.7149 0.8819 0.8819 1.0351 1.0351 4.3176 4.3176 5.3499 5.3499 6.1433 6.1433 6.1592 6.1592 6.4259 6.4259 6.7276 6.7276 6.8360 6.8360 6.8377 6.8377 k = 0.1667 0.0336 0.0199 ( 8051 PWs) bands (ev): -37.6193 -37.6193 -35.6009 -35.6009 -35.5971 -35.5971 -18.8624 -18.8624 -18.4907 -18.4907 -18.4758 -18.4758 -16.8605 -16.8605 -16.8387 -16.8387 -16.5032 -16.5032 -16.4752 -16.4752 -16.4469 -16.4469 -16.4382 -16.4382 -11.4644 -11.4644 -11.3441 -11.3441 -0.9438 -0.9438 -0.2500 -0.2500 0.4177 0.4177 0.4663 0.4663 0.7150 0.7150 0.8725 0.8725 1.0349 1.0349 4.3647 4.3647 5.2994 5.2994 6.1464 6.1464 6.1627 6.1627 6.4403 6.4403 6.6996 6.6996 6.8339 6.8339 6.8353 6.8353 k = 0.1333 0.0269 0.0159 ( 8054 PWs) bands (ev): -37.6193 -37.6193 -35.6009 -35.6009 -35.5971 -35.5971 -18.8624 -18.8624 -18.4907 -18.4907 -18.4758 -18.4758 -16.8605 -16.8605 -16.8387 -16.8387 -16.5032 -16.5032 -16.4752 -16.4752 -16.4469 -16.4469 -16.4383 -16.4383 -11.4645 -11.4645 -11.3440 -11.3440 -0.9510 -0.9510 -0.2272 -0.2272 0.4062 0.4062 0.4646 0.4646 0.7151 0.7151 0.8643 0.8643 1.0348 1.0348 4.4108 4.4108 5.2502 5.2502 6.1493 6.1493 6.1659 6.1659 6.4558 6.4558 6.6725 6.6725 6.8319 6.8319 6.8333 6.8333 k = 0.1000 0.0202 0.0120 ( 8054 PWs) bands (ev): -37.6193 -37.6193 -35.6009 -35.6009 -35.5971 -35.5971 -18.8624 -18.8624 -18.4907 -18.4907 -18.4758 -18.4758 -16.8606 -16.8606 -16.8387 -16.8387 -16.5032 -16.5032 -16.4752 -16.4752 -16.4469 -16.4469 -16.4383 -16.4383 -11.4645 -11.4645 -11.3440 -11.3440 -0.9567 -0.9567 -0.2077 -0.2077 0.3954 0.3954 0.4635 0.4635 0.7152 0.7152 0.8578 0.8578 1.0347 1.0347 4.4531 4.4531 5.2052 5.2052 6.1516 6.1516 6.1685 6.1685 6.4720 6.4720 6.6472 6.6472 6.8303 6.8303 6.8316 6.8316 k = 0.0667 0.0134 0.0080 ( 8057 PWs) bands (ev): -37.6193 -37.6193 -35.6009 -35.6009 -35.5971 -35.5971 -18.8624 -18.8624 -18.4908 -18.4908 -18.4758 -18.4758 -16.8606 -16.8606 -16.8387 -16.8387 -16.5032 -16.5032 -16.4751 -16.4751 -16.4469 -16.4469 -16.4383 -16.4383 -11.4645 -11.4645 -11.3440 -11.3440 -0.9608 -0.9608 -0.1927 -0.1927 0.3865 0.3865 0.4629 0.4629 0.7152 0.7152 0.8531 0.8531 1.0346 1.0346 4.4883 4.4883 5.1681 5.1681 6.1534 6.1534 6.1705 6.1705 6.4877 6.4877 6.6249 6.6249 6.8290 6.8290 6.8304 6.8304 k = 0.0333 0.0067 0.0040 ( 8069 PWs) bands (ev): -37.6193 -37.6193 -35.6009 -35.6009 -35.5971 -35.5971 -18.8625 -18.8625 -18.4908 -18.4908 -18.4758 -18.4758 -16.8606 -16.8606 -16.8387 -16.8387 -16.5032 -16.5032 -16.4751 -16.4751 -16.4469 -16.4469 -16.4383 -16.4383 -11.4645 -11.4645 -11.3440 -11.3440 -0.9634 -0.9634 -0.1833 -0.1833 0.3806 0.3806 0.4626 0.4626 0.7153 0.7153 0.8502 0.8502 1.0345 1.0345 4.5119 4.5119 5.1432 5.1432 6.1545 6.1545 6.1717 6.1717 6.5004 6.5004 6.6081 6.6081 6.8282 6.8282 6.8296 6.8296 k = 0.0000 0.0000 0.0000 ( 8069 PWs) bands (ev): -37.6193 -37.6193 -35.6009 -35.6009 -35.5971 -35.5971 -18.8625 -18.8625 -18.4908 -18.4908 -18.4758 -18.4758 -16.8606 -16.8606 -16.8387 -16.8387 -16.5032 -16.5032 -16.4751 -16.4751 -16.4469 -16.4469 -16.4383 -16.4383 -11.4645 -11.4645 -11.3440 -11.3440 -0.9642 -0.9642 -0.1800 -0.1800 0.3785 0.3785 0.4625 0.4625 0.7153 0.7153 0.8492 0.8492 1.0345 1.0345 4.5204 4.5204 5.1343 5.1343 6.1549 6.1549 6.1721 6.1721 6.5057 6.5057 6.6015 6.6015 6.8280 6.8280 6.8293 6.8293 k = 0.0000 0.0000 0.0000 ( 8069 PWs) bands (ev): -37.6193 -37.6193 -35.6009 -35.6009 -35.5971 -35.5971 -18.8625 -18.8625 -18.4908 -18.4908 -18.4758 -18.4758 -16.8606 -16.8606 -16.8387 -16.8387 -16.5032 -16.5032 -16.4751 -16.4751 -16.4469 -16.4469 -16.4383 -16.4383 -11.4645 -11.4645 -11.3440 -11.3440 -0.9642 -0.9642 -0.1800 -0.1800 0.3785 0.3785 0.4625 0.4625 0.7153 0.7153 0.8492 0.8492 1.0345 1.0345 4.5204 4.5204 5.1343 5.1343 6.1549 6.1549 6.1721 6.1721 6.5057 6.5057 6.6015 6.6015 6.8280 6.8280 6.8293 6.8293 k = 0.0072-0.0171-0.0313 ( 8063 PWs) bands (ev): -37.6193 -37.6193 -35.6009 -35.6009 -35.5971 -35.5971 -18.8625 -18.8625 -18.4908 -18.4908 -18.4758 -18.4758 -16.8606 -16.8606 -16.8387 -16.8387 -16.5032 -16.5032 -16.4752 -16.4752 -16.4469 -16.4469 -16.4383 -16.4383 -11.4643 -11.4643 -11.3439 -11.3439 -0.9632 -0.9632 -0.1800 -0.1800 0.3759 0.3759 0.4637 0.4637 0.7144 0.7144 0.8488 0.8488 1.0330 1.0330 4.5211 4.5211 5.1372 5.1372 6.1525 6.1525 6.1701 6.1701 6.5065 6.5065 6.6021 6.6021 6.8286 6.8286 6.8304 6.8304 k = 0.0144-0.0342-0.0626 ( 8049 PWs) bands (ev): -37.6193 -37.6193 -35.6009 -35.6009 -35.5971 -35.5971 -18.8625 -18.8625 -18.4909 -18.4909 -18.4758 -18.4758 -16.8606 -16.8606 -16.8388 -16.8388 -16.5032 -16.5032 -16.4752 -16.4752 -16.4469 -16.4469 -16.4384 -16.4384 -11.4637 -11.4637 -11.3438 -11.3438 -0.9602 -0.9602 -0.1799 -0.1799 0.3685 0.3685 0.4669 0.4669 0.7118 0.7118 0.8478 0.8478 1.0287 1.0287 4.5232 4.5232 5.1457 5.1457 6.1438 6.1438 6.1656 6.1656 6.5089 6.5089 6.6039 6.6039 6.8298 6.8298 6.8345 6.8345 k = 0.0216-0.0513-0.0939 ( 8039 PWs) bands (ev): -37.6193 -37.6193 -35.6008 -35.6008 -35.5971 -35.5971 -18.8626 -18.8626 -18.4910 -18.4910 -18.4758 -18.4758 -16.8606 -16.8606 -16.8388 -16.8388 -16.5032 -16.5032 -16.4753 -16.4753 -16.4470 -16.4470 -16.4385 -16.4385 -11.4628 -11.4628 -11.3436 -11.3436 -0.9551 -0.9551 -0.1798 -0.1798 0.3573 0.3573 0.4712 0.4712 0.7074 0.7074 0.8460 0.8460 1.0218 1.0218 4.5269 4.5269 5.1596 5.1596 6.1272 6.1272 6.1611 6.1611 6.5130 6.5130 6.6065 6.6065 6.8313 6.8313 6.8414 6.8414 k = 0.0288-0.0684-0.1252 ( 8039 PWs) bands (ev): -37.6193 -37.6193 -35.6008 -35.6008 -35.5971 -35.5971 -18.8627 -18.8627 -18.4912 -18.4912 -18.4758 -18.4758 -16.8606 -16.8606 -16.8390 -16.8390 -16.5032 -16.5032 -16.4754 -16.4754 -16.4471 -16.4471 -16.4387 -16.4387 -11.4614 -11.4614 -11.3433 -11.3433 -0.9480 -0.9480 -0.1798 -0.1798 0.3432 0.3432 0.4757 0.4757 0.7012 0.7012 0.8433 0.8433 1.0124 1.0124 4.5320 4.5320 5.1783 5.1783 6.1037 6.1037 6.1564 6.1564 6.5189 6.5189 6.6095 6.6095 6.8333 6.8333 6.8512 6.8512 k = 0.0359-0.0856-0.1565 ( 8039 PWs) bands (ev): -37.6193 -37.6193 -35.6008 -35.6008 -35.5971 -35.5971 -18.8628 -18.8628 -18.4914 -18.4914 -18.4758 -18.4758 -16.8606 -16.8606 -16.8391 -16.8391 -16.5032 -16.5032 -16.4756 -16.4756 -16.4473 -16.4473 -16.4389 -16.4389 -11.4596 -11.4596 -11.3430 -11.3430 -0.9390 -0.9390 -0.1797 -0.1797 0.3268 0.3268 0.4799 0.4799 0.6933 0.6933 0.8396 0.8396 1.0011 1.0011 4.5385 4.5385 5.2011 5.2011 6.0751 6.0751 6.1508 6.1508 6.5266 6.5266 6.6124 6.6124 6.8357 6.8357 6.8638 6.8638 k = 0.0431-0.1027-0.1878 ( 8039 PWs) bands (ev): -37.6192 -37.6192 -35.6008 -35.6008 -35.5971 -35.5971 -18.8629 -18.8629 -18.4917 -18.4917 -18.4758 -18.4758 -16.8606 -16.8606 -16.8393 -16.8393 -16.5031 -16.5031 -16.4758 -16.4758 -16.4475 -16.4475 -16.4392 -16.4392 -11.4575 -11.4575 -11.3426 -11.3426 -0.9280 -0.9280 -0.1798 -0.1798 0.3086 0.3086 0.4833 0.4833 0.6836 0.6836 0.8349 0.8349 0.9883 0.9883 4.5467 4.5467 5.2269 5.2269 6.0434 6.0434 6.1441 6.1441 6.5360 6.5360 6.6148 6.6148 6.8386 6.8386 6.8792 6.8792 k = 0.0503-0.1198-0.2191 ( 8045 PWs) bands (ev): -37.6192 -37.6192 -35.6007 -35.6007 -35.5971 -35.5971 -18.8631 -18.8631 -18.4921 -18.4921 -18.4757 -18.4757 -16.8606 -16.8606 -16.8396 -16.8396 -16.5031 -16.5031 -16.4760 -16.4760 -16.4477 -16.4477 -16.4395 -16.4395 -11.4550 -11.4550 -11.3421 -11.3421 -0.9150 -0.9150 -0.1801 -0.1801 0.2888 0.2888 0.4859 0.4859 0.6721 0.6721 0.8289 0.8289 0.9745 0.9745 4.5563 4.5563 5.2541 5.2541 6.0104 6.0104 6.1359 6.1359 6.5470 6.5470 6.6163 6.6163 6.8421 6.8421 6.8974 6.8974 k = 0.0575-0.1369-0.2504 ( 8043 PWs) bands (ev): -37.6192 -37.6192 -35.6007 -35.6007 -35.5971 -35.5971 -18.8633 -18.8633 -18.4925 -18.4925 -18.4757 -18.4757 -16.8607 -16.8607 -16.8399 -16.8399 -16.5031 -16.5031 -16.4763 -16.4763 -16.4479 -16.4479 -16.4399 -16.4399 -11.4522 -11.4522 -11.3416 -11.3416 -0.9002 -0.9002 -0.1806 -0.1806 0.2678 0.2678 0.4874 0.4874 0.6590 0.6590 0.8217 0.8217 0.9603 0.9603 4.5676 4.5676 5.2809 5.2809 5.9786 5.9786 6.1263 6.1263 6.5591 6.5591 6.6168 6.6168 6.8465 6.8465 6.9184 6.9184 k = 0.0647-0.1540-0.2817 ( 8049 PWs) bands (ev): -37.6192 -37.6192 -35.6006 -35.6006 -35.5971 -35.5971 -18.8635 -18.8635 -18.4930 -18.4930 -18.4757 -18.4757 -16.8607 -16.8607 -16.8402 -16.8402 -16.5030 -16.5030 -16.4766 -16.4766 -16.4482 -16.4482 -16.4403 -16.4403 -11.4491 -11.4491 -11.3410 -11.3410 -0.8836 -0.8836 -0.1814 -0.1814 0.2456 0.2456 0.4877 0.4877 0.6443 0.6443 0.8130 0.8130 0.9460 0.9460 4.5805 4.5805 5.3047 5.3047 5.9508 5.9508 6.1151 6.1151 6.5716 6.5716 6.6164 6.6164 6.8523 6.8523 6.9424 6.9424 k = 0.0719-0.1711-0.3130 ( 8041 PWs) bands (ev): -37.6191 -37.6191 -35.6006 -35.6006 -35.5971 -35.5971 -18.8638 -18.8638 -18.4935 -18.4935 -18.4756 -18.4756 -16.8607 -16.8607 -16.8405 -16.8405 -16.5030 -16.5030 -16.4770 -16.4770 -16.4485 -16.4485 -16.4408 -16.4408 -11.4456 -11.4456 -11.3403 -11.3403 -0.8652 -0.8652 -0.1827 -0.1827 0.2226 0.2226 0.4866 0.4866 0.6283 0.6283 0.8029 0.8029 0.9321 0.9321 4.5950 4.5950 5.3221 5.3221 5.9303 5.9303 6.1024 6.1024 6.5835 6.5835 6.6153 6.6153 6.8601 6.8601 6.9691 6.9691 k = 0.0791-0.1882-0.3443 ( 8033 PWs) bands (ev): -37.6191 -37.6191 -35.6005 -35.6005 -35.5971 -35.5971 -18.8640 -18.8640 -18.4940 -18.4940 -18.4756 -18.4756 -16.8607 -16.8607 -16.8409 -16.8409 -16.5029 -16.5029 -16.4773 -16.4773 -16.4488 -16.4488 -16.4412 -16.4412 -11.4419 -11.4419 -11.3396 -11.3396 -0.8451 -0.8451 -0.1846 -0.1846 0.1988 0.1988 0.4842 0.4842 0.6113 0.6113 0.7916 0.7916 0.9186 0.9186 4.6112 4.6112 5.3298 5.3298 5.9207 5.9207 6.0881 6.0881 6.5927 6.5927 6.6151 6.6151 6.8707 6.8707 6.9984 6.9984 k = 0.0863-0.2053-0.3756 ( 8031 PWs) bands (ev): -37.6191 -37.6191 -35.6004 -35.6004 -35.5971 -35.5971 -18.8643 -18.8643 -18.4946 -18.4946 -18.4755 -18.4755 -16.8607 -16.8607 -16.8412 -16.8412 -16.5029 -16.5029 -16.4777 -16.4777 -16.4491 -16.4491 -16.4417 -16.4417 -11.4379 -11.4379 -11.3389 -11.3389 -0.8233 -0.8233 -0.1871 -0.1871 0.1745 0.1745 0.4801 0.4801 0.5939 0.5939 0.7791 0.7791 0.9057 0.9057 4.6291 4.6291 5.3253 5.3253 5.9245 5.9245 6.0721 6.0721 6.5960 6.5960 6.6181 6.6181 6.8849 6.8849 7.0302 7.0302 k = 0.0935-0.2225-0.4069 ( 8025 PWs) bands (ev): -37.6190 -37.6190 -35.6004 -35.6004 -35.5971 -35.5971 -18.8646 -18.8646 -18.4952 -18.4952 -18.4755 -18.4755 -16.8608 -16.8608 -16.8417 -16.8417 -16.5028 -16.5028 -16.4782 -16.4782 -16.4495 -16.4495 -16.4423 -16.4423 -11.4336 -11.4336 -11.3380 -11.3380 -0.7999 -0.7999 -0.1904 -0.1904 0.1498 0.1498 0.4741 0.4741 0.5765 0.5765 0.7656 0.7656 0.8933 0.8933 4.6487 4.6487 5.3078 5.3078 5.9424 5.9424 6.0546 6.0546 6.5938 6.5938 6.6234 6.6234 6.9034 6.9034 7.0643 7.0643 k = 0.1007-0.2396-0.4382 ( 8019 PWs) bands (ev): -37.6190 -37.6190 -35.6003 -35.6003 -35.5970 -35.5970 -18.8650 -18.8650 -18.4959 -18.4959 -18.4754 -18.4754 -16.8608 -16.8608 -16.8421 -16.8421 -16.5027 -16.5027 -16.4786 -16.4786 -16.4498 -16.4498 -16.4428 -16.4428 -11.4292 -11.4292 -11.3372 -11.3372 -0.7751 -0.7751 -0.1946 -0.1946 0.1249 0.1249 0.4661 0.4661 0.5599 0.5599 0.7514 0.7514 0.8812 0.8812 4.6699 4.6699 5.2786 5.2786 5.9729 5.9729 6.0356 6.0356 6.5893 6.5893 6.6278 6.6278 6.9265 6.9265 7.1004 7.1004 k = 0.1078-0.2567-0.4695 ( 8027 PWs) bands (ev): -37.6189 -37.6189 -35.6002 -35.6002 -35.5970 -35.5970 -18.8653 -18.8653 -18.4966 -18.4966 -18.4754 -18.4754 -16.8608 -16.8608 -16.8426 -16.8426 -16.5026 -16.5026 -16.4791 -16.4791 -16.4502 -16.4502 -16.4434 -16.4434 -11.4245 -11.4245 -11.3363 -11.3363 -0.7489 -0.7489 -0.1999 -0.1999 0.1000 0.1000 0.4559 0.4559 0.5445 0.5445 0.7365 0.7365 0.8693 0.8693 4.6929 4.6929 5.2401 5.2401 6.0090 6.0090 6.0195 6.0195 6.5841 6.5841 6.6302 6.6302 6.9542 6.9542 7.1382 7.1382 k = 0.1150-0.2738-0.5008 ( 8027 PWs) bands (ev): -37.6189 -37.6189 -35.6001 -35.6001 -35.5970 -35.5970 -18.8657 -18.8657 -18.4973 -18.4973 -18.4753 -18.4753 -16.8608 -16.8608 -16.8431 -16.8431 -16.5025 -16.5025 -16.4797 -16.4797 -16.4506 -16.4506 -16.4440 -16.4440 -11.4197 -11.4197 -11.3354 -11.3354 -0.7214 -0.7214 -0.2062 -0.2062 0.0754 0.0754 0.4438 0.4438 0.5305 0.5305 0.7211 0.7211 0.8574 0.8574 4.7174 4.7174 5.1949 5.1949 5.9909 5.9909 6.0634 6.0634 6.5788 6.5788 6.6306 6.6306 6.9862 6.9862 7.1773 7.1773 k = 0.1222-0.2909-0.5321 ( 8019 PWs) bands (ev): -37.6189 -37.6189 -35.6001 -35.6001 -35.5970 -35.5970 -18.8660 -18.8660 -18.4980 -18.4980 -18.4752 -18.4752 -16.8608 -16.8608 -16.8436 -16.8436 -16.5024 -16.5024 -16.4802 -16.4802 -16.4511 -16.4511 -16.4446 -16.4446 -11.4147 -11.4147 -11.3345 -11.3345 -0.6928 -0.6928 -0.2137 -0.2137 0.0511 0.0511 0.4302 0.4302 0.5178 0.5178 0.7053 0.7053 0.8454 0.8454 4.7436 4.7436 5.1453 5.1453 5.9664 5.9664 6.1169 6.1169 6.5742 6.5742 6.6292 6.6292 7.0220 7.0220 7.2174 7.2174 k = 0.1294-0.3080-0.5634 ( 8009 PWs) bands (ev): -37.6188 -37.6188 -35.6000 -35.6000 -35.5970 -35.5970 -18.8664 -18.8664 -18.4987 -18.4987 -18.4751 -18.4751 -16.8608 -16.8608 -16.8441 -16.8441 -16.5023 -16.5023 -16.4808 -16.4808 -16.4515 -16.4515 -16.4453 -16.4453 -11.4096 -11.4096 -11.3335 -11.3335 -0.6631 -0.6631 -0.2224 -0.2224 0.0275 0.0275 0.4157 0.4157 0.5062 0.5062 0.6892 0.6892 0.8333 0.8333 4.7713 4.7713 5.0928 5.0928 5.9399 5.9399 6.1736 6.1736 6.5709 6.5709 6.6268 6.6268 7.0608 7.0608 7.2582 7.2582 k = 0.1366-0.3251-0.5947 ( 8021 PWs) bands (ev): -37.6188 -37.6188 -35.5999 -35.5999 -35.5970 -35.5970 -18.8668 -18.8668 -18.4995 -18.4995 -18.4751 -18.4751 -16.8608 -16.8608 -16.8446 -16.8446 -16.5022 -16.5022 -16.4814 -16.4814 -16.4519 -16.4519 -16.4459 -16.4459 -11.4045 -11.4045 -11.3325 -11.3325 -0.6325 -0.6325 -0.2323 -0.2323 0.0046 0.0046 0.4011 0.4011 0.4952 0.4952 0.6727 0.6727 0.8209 0.8209 4.8004 4.8004 5.0389 5.0389 5.9113 5.9113 6.2313 6.2313 6.5698 6.5698 6.6237 6.6237 7.1023 7.1023 7.2991 7.2991 k = 0.1438-0.3422-0.6260 ( 8021 PWs) bands (ev): -37.6187 -37.6187 -35.5998 -35.5998 -35.5970 -35.5970 -18.8672 -18.8672 -18.5002 -18.5002 -18.4750 -18.4750 -16.8608 -16.8608 -16.8452 -16.8452 -16.5020 -16.5020 -16.4819 -16.4819 -16.4524 -16.4524 -16.4465 -16.4465 -11.3993 -11.3993 -11.3315 -11.3315 -0.6013 -0.6013 -0.2433 -0.2433 -0.0172 -0.0172 0.3866 0.3866 0.4845 0.4845 0.6560 0.6560 0.8081 0.8081 4.8309 4.8309 4.9845 4.9845 5.8807 5.8807 6.2880 6.2880 6.5723 6.5723 6.6206 6.6206 7.1456 7.1456 7.3398 7.3398 k = 0.1510-0.3593-0.6573 ( 8027 PWs) bands (ev): -37.6187 -37.6187 -35.5997 -35.5997 -35.5970 -35.5970 -18.8675 -18.8675 -18.5010 -18.5010 -18.4749 -18.4749 -16.8608 -16.8608 -16.8458 -16.8458 -16.5019 -16.5019 -16.4825 -16.4825 -16.4528 -16.4528 -16.4472 -16.4472 -11.3940 -11.3940 -11.3305 -11.3305 -0.5695 -0.5695 -0.2553 -0.2553 -0.0378 -0.0378 0.3728 0.3728 0.4738 0.4738 0.6391 0.6391 0.7951 0.7951 4.8626 4.8626 4.9304 4.9304 5.8481 5.8481 6.3407 6.3407 6.5804 6.5804 6.6181 6.6181 7.1904 7.1904 7.3797 7.3797 k = 0.1582-0.3765-0.6886 ( 8033 PWs) bands (ev): -37.6186 -37.6186 -35.5996 -35.5996 -35.5970 -35.5970 -18.8679 -18.8679 -18.5018 -18.5018 -18.4749 -18.4749 -16.8608 -16.8608 -16.8463 -16.8463 -16.5017 -16.5017 -16.4832 -16.4832 -16.4533 -16.4533 -16.4478 -16.4478 -11.3888 -11.3888 -11.3296 -11.3296 -0.5374 -0.5374 -0.2679 -0.2679 -0.0570 -0.0570 0.3596 0.3596 0.4631 0.4631 0.6220 0.6220 0.7818 0.7818 4.8770 4.8770 4.8956 4.8956 5.8134 5.8134 6.3858 6.3858 6.5955 6.5955 6.6185 6.6185 7.2358 7.2358 7.4180 7.4180 k = 0.1654-0.3936-0.7199 ( 8031 PWs) bands (ev): -37.6186 -37.6186 -35.5995 -35.5995 -35.5970 -35.5970 -18.8683 -18.8683 -18.5025 -18.5025 -18.4748 -18.4748 -16.8608 -16.8608 -16.8469 -16.8469 -16.5016 -16.5016 -16.4838 -16.4838 -16.4538 -16.4538 -16.4484 -16.4484 -11.3836 -11.3836 -11.3286 -11.3286 -0.5054 -0.5054 -0.2808 -0.2808 -0.0747 -0.0747 0.3471 0.3471 0.4524 0.4524 0.6048 0.6048 0.7681 0.7681 4.8253 4.8253 4.9292 4.9292 5.7767 5.7767 6.4199 6.4199 6.6067 6.6067 6.6359 6.6359 7.2812 7.2812 7.4540 7.4540 k = 0.1725-0.4107-0.7512 ( 8027 PWs) bands (ev): -37.6185 -37.6185 -35.5994 -35.5994 -35.5970 -35.5970 -18.8687 -18.8687 -18.5032 -18.5032 -18.4747 -18.4747 -16.8607 -16.8607 -16.8475 -16.8475 -16.5014 -16.5014 -16.4844 -16.4844 -16.4542 -16.4542 -16.4490 -16.4490 -11.3784 -11.3784 -11.3276 -11.3276 -0.4739 -0.4739 -0.2936 -0.2936 -0.0908 -0.0908 0.3352 0.3352 0.4415 0.4415 0.5876 0.5876 0.7542 0.7542 4.7753 4.7753 4.9636 4.9636 5.7382 5.7382 6.4430 6.4430 6.6084 6.6084 6.6760 6.6760 7.3258 7.3258 7.4856 7.4856 k = 0.1797-0.4278-0.7825 ( 8030 PWs) bands (ev): -37.6185 -37.6185 -35.5993 -35.5993 -35.5970 -35.5970 -18.8691 -18.8691 -18.5039 -18.5039 -18.4747 -18.4747 -16.8607 -16.8607 -16.8480 -16.8480 -16.5012 -16.5012 -16.4850 -16.4850 -16.4547 -16.4547 -16.4496 -16.4496 -11.3733 -11.3733 -11.3266 -11.3266 -0.4437 -0.4437 -0.3055 -0.3055 -0.1051 -0.1051 0.3236 0.3236 0.4307 0.4307 0.5705 0.5705 0.7400 0.7400 4.7276 4.7276 4.9985 4.9985 5.6979 5.6979 6.4580 6.4580 6.6093 6.6093 6.7268 6.7268 7.3683 7.3683 7.5099 7.5099 k = 0.1869-0.4449-0.8138 ( 8036 PWs) bands (ev): -37.6184 -37.6184 -35.5992 -35.5992 -35.5970 -35.5970 -18.8694 -18.8694 -18.5046 -18.5046 -18.4746 -18.4746 -16.8607 -16.8607 -16.8486 -16.8486 -16.5010 -16.5010 -16.4856 -16.4856 -16.4552 -16.4552 -16.4501 -16.4501 -11.3684 -11.3684 -11.3257 -11.3257 -0.4162 -0.4162 -0.3149 -0.3149 -0.1175 -0.1175 0.3120 0.3120 0.4201 0.4201 0.5536 0.5536 0.7256 0.7256 4.6824 4.6824 5.0337 5.0337 5.6560 5.6560 6.4686 6.4686 6.6111 6.6111 6.7827 6.7827 7.4074 7.4074 7.5224 7.5224 k = 0.1941-0.4620-0.8451 ( 8034 PWs) bands (ev): -37.6184 -37.6184 -35.5992 -35.5992 -35.5971 -35.5971 -18.8698 -18.8698 -18.5053 -18.5053 -18.4746 -18.4746 -16.8606 -16.8606 -16.8492 -16.8492 -16.5008 -16.5008 -16.4862 -16.4862 -16.4556 -16.4556 -16.4507 -16.4507 -11.3635 -11.3635 -11.3248 -11.3248 -0.3947 -0.3947 -0.3187 -0.3187 -0.1277 -0.1277 0.3001 0.3001 0.4096 0.4096 0.5370 0.5370 0.7111 0.7111 4.6400 4.6400 5.0688 5.0688 5.6126 5.6126 6.4773 6.4773 6.6141 6.6141 6.8409 6.8409 7.4417 7.4417 7.5237 7.5237 k = 0.2013-0.4791-0.8764 ( 8026 PWs) bands (ev): -37.6184 -37.6184 -35.5991 -35.5991 -35.5971 -35.5971 -18.8701 -18.8701 -18.5059 -18.5059 -18.4745 -18.4745 -16.8605 -16.8605 -16.8497 -16.8497 -16.5006 -16.5006 -16.4868 -16.4868 -16.4561 -16.4561 -16.4512 -16.4512 -11.3588 -11.3588 -11.3239 -11.3239 -0.3842 -0.3842 -0.3122 -0.3122 -0.1354 -0.1354 0.2876 0.2876 0.3994 0.3994 0.5210 0.5210 0.6966 0.6966 4.6008 4.6008 5.1035 5.1035 5.5681 5.5681 6.4855 6.4855 6.6185 6.6185 6.8994 6.8994 7.4701 7.4701 7.5194 7.5194 k = 0.2085-0.4962-0.9077 ( 8016 PWs) bands (ev): -37.6183 -37.6183 -35.5990 -35.5990 -35.5971 -35.5971 -18.8705 -18.8705 -18.5065 -18.5065 -18.4745 -18.4745 -16.8605 -16.8605 -16.8503 -16.8503 -16.5004 -16.5004 -16.4873 -16.4873 -16.4565 -16.4565 -16.4517 -16.4517 -11.3543 -11.3543 -11.3231 -11.3231 -0.3843 -0.3843 -0.2962 -0.2962 -0.1400 -0.1400 0.2742 0.2742 0.3895 0.3895 0.5058 0.5058 0.6820 0.6820 4.5649 4.5649 5.1374 5.1374 5.5226 5.5226 6.4940 6.4940 6.6244 6.6244 6.9567 6.9567 7.4923 7.4923 7.5141 7.5141 k = 0.2157-0.5133-0.9390 ( 8032 PWs) bands (ev): -37.6183 -37.6183 -35.5989 -35.5989 -35.5971 -35.5971 -18.8708 -18.8708 -18.5071 -18.5071 -18.4744 -18.4744 -16.8604 -16.8604 -16.8508 -16.8508 -16.5001 -16.5001 -16.4879 -16.4879 -16.4569 -16.4569 -16.4522 -16.4522 -11.3500 -11.3500 -11.3223 -11.3223 -0.3892 -0.3892 -0.2776 -0.2776 -0.1408 -0.1408 0.2599 0.2599 0.3796 0.3796 0.4917 0.4917 0.6675 0.6675 4.5327 4.5327 5.1698 5.1698 5.4768 5.4768 6.5033 6.5033 6.6317 6.6317 7.0118 7.0118 7.5058 7.5058 7.5137 7.5137 k = 0.2229-0.5305-0.9703 ( 8044 PWs) bands (ev): -37.6182 -37.6182 -35.5988 -35.5988 -35.5971 -35.5971 -18.8711 -18.8711 -18.5077 -18.5077 -18.4744 -18.4744 -16.8603 -16.8603 -16.8514 -16.8514 -16.4999 -16.4999 -16.4885 -16.4885 -16.4574 -16.4574 -16.4527 -16.4527 -11.3460 -11.3460 -11.3215 -11.3215 -0.3950 -0.3950 -0.2610 -0.2610 -0.1369 -0.1369 0.2445 0.2445 0.3696 0.3696 0.4791 0.4791 0.6531 0.6531 4.5042 4.5042 5.1998 5.1998 5.4315 5.4315 6.5138 6.5138 6.6406 6.6406 7.0636 7.0636 7.5051 7.5051 7.5263 7.5263 k = 0.2301-0.5476-1.0016 ( 8042 PWs) bands (ev): -37.6182 -37.6182 -35.5987 -35.5987 -35.5971 -35.5971 -18.8714 -18.8714 -18.5082 -18.5082 -18.4744 -18.4744 -16.8602 -16.8602 -16.8519 -16.8519 -16.4997 -16.4997 -16.4890 -16.4890 -16.4578 -16.4578 -16.4532 -16.4532 -11.3421 -11.3421 -11.3208 -11.3208 -0.4001 -0.4001 -0.2485 -0.2485 -0.1277 -0.1277 0.2282 0.2282 0.3591 0.3591 0.4683 0.4683 0.6389 0.6389 4.4798 4.4798 5.2249 5.2249 5.3888 5.3888 6.5255 6.5255 6.6511 6.6511 7.1114 7.1114 7.5047 7.5047 7.5394 7.5394 k = 0.2373-0.5647-1.0329 ( 8036 PWs) bands (ev): -37.6182 -37.6182 -35.5986 -35.5986 -35.5972 -35.5972 -18.8716 -18.8716 -18.5087 -18.5087 -18.4744 -18.4744 -16.8601 -16.8601 -16.8524 -16.8524 -16.4994 -16.4994 -16.4894 -16.4894 -16.4581 -16.4581 -16.4536 -16.4536 -11.3385 -11.3385 -11.3201 -11.3201 -0.4041 -0.4041 -0.2402 -0.2402 -0.1141 -0.1141 0.2111 0.2111 0.3479 0.3479 0.4595 0.4595 0.6250 0.6250 4.4595 4.4595 5.2388 5.2388 5.3552 5.3552 6.5387 6.5387 6.6633 6.6633 7.1541 7.1541 7.5058 7.5058 7.5528 7.5528 k = 0.2444-0.5818-1.0642 ( 8034 PWs) bands (ev): -37.6181 -37.6181 -35.5985 -35.5985 -35.5972 -35.5972 -18.8719 -18.8719 -18.5091 -18.5091 -18.4744 -18.4744 -16.8599 -16.8599 -16.8529 -16.8529 -16.4992 -16.4992 -16.4899 -16.4899 -16.4585 -16.4585 -16.4540 -16.4540 -11.3351 -11.3351 -11.3195 -11.3195 -0.4064 -0.4064 -0.2352 -0.2352 -0.0977 -0.0977 0.1934 0.1934 0.3359 0.3359 0.4529 0.4529 0.6114 0.6114 4.4436 4.4436 5.2284 5.2284 5.3436 5.3436 6.5534 6.5534 6.6772 6.6772 7.1911 7.1911 7.5077 7.5077 7.5670 7.5670 k = 0.2516-0.5989-1.0955 ( 8042 PWs) bands (ev): -37.6181 -37.6181 -35.5984 -35.5984 -35.5972 -35.5972 -18.8721 -18.8721 -18.5095 -18.5095 -18.4744 -18.4744 -16.8598 -16.8598 -16.8534 -16.8534 -16.4990 -16.4990 -16.4903 -16.4903 -16.4588 -16.4588 -16.4543 -16.4543 -11.3320 -11.3320 -11.3189 -11.3189 -0.4069 -0.4069 -0.2322 -0.2322 -0.0802 -0.0802 0.1753 0.1753 0.3230 0.3230 0.4484 0.4484 0.5983 0.5983 4.4321 4.4321 5.1942 5.1942 5.3534 5.3534 6.5695 6.5695 6.6928 6.6928 7.2216 7.2216 7.5090 7.5090 7.5825 7.5825 k = 0.2588-0.6160-1.1268 ( 8036 PWs) bands (ev): -37.6181 -37.6181 -35.5984 -35.5984 -35.5973 -35.5973 -18.8723 -18.8723 -18.5099 -18.5099 -18.4744 -18.4744 -16.8596 -16.8596 -16.8538 -16.8538 -16.4987 -16.4987 -16.4907 -16.4907 -16.4591 -16.4591 -16.4547 -16.4547 -11.3292 -11.3292 -11.3184 -11.3184 -0.4055 -0.4055 -0.2303 -0.2303 -0.0629 -0.0629 0.1574 0.1574 0.3095 0.3095 0.4458 0.4458 0.5856 0.5856 4.4253 4.4253 5.1499 5.1499 5.3708 5.3708 6.5872 6.5872 6.7102 6.7102 7.2449 7.2449 7.5084 7.5084 7.5995 7.5995 k = 0.2660-0.6331-1.1581 ( 8034 PWs) bands (ev): -37.6181 -37.6181 -35.5983 -35.5983 -35.5973 -35.5973 -18.8725 -18.8725 -18.5102 -18.5102 -18.4744 -18.4744 -16.8594 -16.8594 -16.8542 -16.8542 -16.4985 -16.4985 -16.4910 -16.4910 -16.4594 -16.4594 -16.4550 -16.4550 -11.3267 -11.3267 -11.3179 -11.3179 -0.4022 -0.4022 -0.2290 -0.2290 -0.0470 -0.0470 0.1400 0.1400 0.2958 0.2958 0.4448 0.4448 0.5735 0.5735 4.4232 4.4232 5.1020 5.1020 5.3893 5.3893 6.6065 6.6065 6.7293 6.7293 7.2600 7.2600 7.5056 7.5056 7.6178 7.6178 k = 0.2732-0.6502-1.1894 ( 8032 PWs) bands (ev): -37.6181 -37.6181 -35.5982 -35.5982 -35.5973 -35.5973 -18.8726 -18.8726 -18.5105 -18.5105 -18.4744 -18.4744 -16.8593 -16.8593 -16.8546 -16.8546 -16.4983 -16.4983 -16.4913 -16.4913 -16.4597 -16.4597 -16.4553 -16.4553 -11.3244 -11.3244 -11.3175 -11.3175 -0.3971 -0.3971 -0.2282 -0.2282 -0.0332 -0.0332 0.1237 0.1237 0.2820 0.2820 0.4452 0.4452 0.5620 0.5620 4.4258 4.4258 5.0527 5.0527 5.4068 5.4068 6.6271 6.6271 6.7501 6.7501 7.2655 7.2655 7.5024 7.5024 7.6371 7.6371 k = 0.2804-0.6674-1.2207 ( 8022 PWs) bands (ev): -37.6180 -37.6180 -35.5981 -35.5981 -35.5974 -35.5974 -18.8728 -18.8728 -18.5107 -18.5107 -18.4744 -18.4744 -16.8591 -16.8591 -16.8550 -16.8550 -16.4981 -16.4981 -16.4916 -16.4916 -16.4600 -16.4600 -16.4555 -16.4555 -11.3225 -11.3225 -11.3171 -11.3171 -0.3901 -0.3901 -0.2279 -0.2279 -0.0223 -0.0223 0.1094 0.1094 0.2686 0.2686 0.4465 0.4465 0.5512 0.5512 4.4333 4.4333 5.0028 5.0028 5.4224 5.4224 6.6492 6.6492 6.7726 6.7726 7.2596 7.2596 7.5014 7.5014 7.6570 7.6570 k = 0.2876-0.6845-1.2520 ( 8020 PWs) bands (ev): -37.6180 -37.6180 -35.5981 -35.5981 -35.5974 -35.5974 -18.8729 -18.8729 -18.5109 -18.5109 -18.4744 -18.4744 -16.8589 -16.8589 -16.8554 -16.8554 -16.4979 -16.4979 -16.4918 -16.4918 -16.4602 -16.4602 -16.4557 -16.4557 -11.3208 -11.3208 -11.3168 -11.3168 -0.3815 -0.3815 -0.2284 -0.2284 -0.0150 -0.0150 0.0979 0.0979 0.2560 0.2560 0.4486 0.4486 0.5411 0.5411 4.4456 4.4456 4.9528 4.9528 5.4359 5.4359 6.6725 6.6725 6.7965 6.7965 7.2417 7.2417 7.5050 7.5050 7.6769 7.6769 k = 0.2948-0.7016-1.2833 ( 8022 PWs) bands (ev): -37.6180 -37.6180 -35.5980 -35.5980 -35.5974 -35.5974 -18.8730 -18.8730 -18.5111 -18.5111 -18.4745 -18.4745 -16.8587 -16.8587 -16.8557 -16.8557 -16.4978 -16.4978 -16.4920 -16.4920 -16.4604 -16.4604 -16.4559 -16.4559 -11.3194 -11.3194 -11.3165 -11.3165 -0.3715 -0.3715 -0.2298 -0.2298 -0.0117 -0.0117 0.0899 0.0899 0.2443 0.2443 0.4512 0.4512 0.5320 0.5320 4.4628 4.4628 4.9030 4.9030 5.4472 5.4472 6.6970 6.6970 6.8219 6.8219 7.2129 7.2129 7.5137 7.5137 7.6960 7.6960 k = 0.3020-0.7187-1.3146 ( 8004 PWs) bands (ev): -37.6180 -37.6180 -35.5979 -35.5979 -35.5975 -35.5975 -18.8730 -18.8730 -18.5112 -18.5112 -18.4745 -18.4745 -16.8584 -16.8584 -16.8560 -16.8560 -16.4976 -16.4976 -16.4921 -16.4921 -16.4605 -16.4605 -16.4561 -16.4561 -11.3183 -11.3183 -11.3162 -11.3162 -0.3604 -0.3604 -0.2324 -0.2324 -0.0120 -0.0120 0.0856 0.0856 0.2340 0.2340 0.4539 0.4539 0.5239 0.5239 4.4847 4.4847 4.8535 4.8535 5.4562 5.4562 6.7224 6.7224 6.8485 6.8485 7.1755 7.1755 7.5265 7.5265 7.7135 7.7135 k = 0.3092-0.7358-1.3459 ( 7992 PWs) bands (ev): -37.6180 -37.6180 -35.5979 -35.5979 -35.5975 -35.5975 -18.8731 -18.8731 -18.5113 -18.5113 -18.4745 -18.4745 -16.8582 -16.8582 -16.8563 -16.8563 -16.4975 -16.4975 -16.4922 -16.4922 -16.4606 -16.4606 -16.4562 -16.4562 -11.3174 -11.3174 -11.3159 -11.3159 -0.3489 -0.3489 -0.2363 -0.2363 -0.0147 -0.0147 0.0841 0.0841 0.2253 0.2253 0.4565 0.4565 0.5171 0.5171 4.5114 4.5114 4.8046 4.8046 5.4630 5.4630 6.7485 6.7485 6.8762 6.8762 7.1320 7.1320 7.5420 7.5420 7.7288 7.7288 k = 0.3163-0.7529-1.3772 ( 7996 PWs) bands (ev): -37.6180 -37.6180 -35.5978 -35.5978 -35.5976 -35.5976 -18.8731 -18.8731 -18.5114 -18.5114 -18.4745 -18.4745 -16.8580 -16.8580 -16.8566 -16.8566 -16.4975 -16.4975 -16.4923 -16.4923 -16.4607 -16.4607 -16.4563 -16.4563 -11.3169 -11.3169 -11.3157 -11.3157 -0.3377 -0.3377 -0.2412 -0.2412 -0.0183 -0.0183 0.0845 0.0845 0.2186 0.2186 0.4586 0.4586 0.5118 0.5118 4.5427 4.5427 4.7564 4.7564 5.4678 5.4678 6.7746 6.7746 6.9045 6.9045 7.0849 7.0849 7.5588 7.5588 7.7413 7.7413 k = 0.3235-0.7700-1.4085 ( 7998 PWs) bands (ev): -37.6180 -37.6180 -35.5978 -35.5978 -35.5976 -35.5976 -18.8732 -18.8732 -18.5114 -18.5114 -18.4745 -18.4745 -16.8578 -16.8578 -16.8569 -16.8569 -16.4974 -16.4974 -16.4923 -16.4923 -16.4607 -16.4607 -16.4564 -16.4564 -11.3166 -11.3166 -11.3155 -11.3155 -0.3284 -0.3284 -0.2463 -0.2463 -0.0216 -0.0216 0.0858 0.0858 0.2142 0.2142 0.4597 0.4597 0.5083 0.5083 4.5784 4.5784 4.7090 4.7090 5.4707 5.4707 6.7993 6.7993 6.9329 6.9329 7.0372 7.0372 7.5757 7.5757 7.7504 7.7504 k = 0.3307-0.7871-1.4398 ( 8004 PWs) bands (ev): -37.6180 -37.6180 -35.5977 -35.5977 -35.5977 -35.5977 -18.8732 -18.8732 -18.5114 -18.5114 -18.4745 -18.4745 -16.8575 -16.8575 -16.8571 -16.8571 -16.4974 -16.4974 -16.4924 -16.4924 -16.4608 -16.4608 -16.4564 -16.4564 -11.3165 -11.3165 -11.3154 -11.3154 -0.3232 -0.3232 -0.2496 -0.2496 -0.0236 -0.0236 0.0874 0.0874 0.2122 0.2122 0.4598 0.4598 0.5068 0.5068 4.6185 4.6185 4.6625 4.6625 5.4718 5.4718 6.8191 6.8191 6.9583 6.9583 6.9963 6.9963 7.5913 7.5913 7.7561 7.7561 k = 0.3379-0.8042-1.4711 ( 8006 PWs) bands (ev): -37.6180 -37.6180 -35.5977 -35.5977 -35.5977 -35.5977 -18.8732 -18.8732 -18.5114 -18.5114 -18.4745 -18.4745 -16.8575 -16.8575 -16.8572 -16.8572 -16.4974 -16.4974 -16.4924 -16.4924 -16.4608 -16.4608 -16.4564 -16.4564 -11.3165 -11.3165 -11.3154 -11.3154 -0.3243 -0.3243 -0.2494 -0.2494 -0.0240 -0.0240 0.0893 0.0893 0.2128 0.2128 0.4587 0.4587 0.5071 0.5071 4.6169 4.6169 4.6628 4.6628 5.4715 5.4715 6.8240 6.8240 6.9543 6.9543 6.9988 6.9988 7.6046 7.6046 7.7585 7.7585 k = 0.6621-0.7035-1.4114 ( 8006 PWs) bands (ev): -37.6180 -37.6180 -35.5977 -35.5977 -35.5977 -35.5977 -18.8732 -18.8732 -18.5114 -18.5114 -18.4745 -18.4745 -16.8575 -16.8575 -16.8572 -16.8572 -16.4974 -16.4974 -16.4924 -16.4924 -16.4608 -16.4608 -16.4564 -16.4564 -11.3165 -11.3165 -11.3154 -11.3154 -0.3243 -0.3243 -0.2494 -0.2494 -0.0240 -0.0240 0.0893 0.0893 0.2128 0.2128 0.4587 0.4587 0.5071 0.5071 4.6169 4.6169 4.6628 4.6628 5.4715 5.4715 6.8240 6.8240 6.9543 6.9543 6.9988 6.9988 7.6046 7.6046 7.7585 7.7585 k = 0.6550-0.6685-1.4114 ( 8002 PWs) bands (ev): -37.6180 -37.6180 -35.5978 -35.5978 -35.5976 -35.5976 -18.8732 -18.8732 -18.5114 -18.5114 -18.4745 -18.4745 -16.8576 -16.8576 -16.8570 -16.8570 -16.4974 -16.4974 -16.4924 -16.4924 -16.4607 -16.4607 -16.4563 -16.4563 -11.3167 -11.3167 -11.3155 -11.3155 -0.3319 -0.3319 -0.2458 -0.2458 -0.0227 -0.0227 0.0916 0.0916 0.2158 0.2158 0.4570 0.4570 0.5089 0.5089 4.5734 4.5734 4.7098 4.7098 5.4698 5.4698 6.8017 6.8017 6.9527 6.9527 7.0254 7.0254 7.6144 7.6144 7.7581 7.7581 k = 0.6480-0.6335-1.4114 ( 7996 PWs) bands (ev): -37.6180 -37.6180 -35.5978 -35.5978 -35.5976 -35.5976 -18.8731 -18.8731 -18.5114 -18.5114 -18.4745 -18.4745 -16.8578 -16.8578 -16.8568 -16.8568 -16.4974 -16.4974 -16.4924 -16.4924 -16.4607 -16.4607 -16.4563 -16.4563 -11.3169 -11.3169 -11.3157 -11.3157 -0.3441 -0.3441 -0.2407 -0.2407 -0.0197 -0.0197 0.0945 0.0945 0.2211 0.2211 0.4550 0.4550 0.5117 0.5117 4.5311 4.5311 4.7604 4.7604 5.4671 5.4671 6.7586 6.7586 6.9699 6.9699 7.0534 7.0534 7.6200 7.6200 7.7555 7.7555 k = 0.6409-0.5986-1.4114 ( 8004 PWs) bands (ev): -37.6180 -37.6180 -35.5979 -35.5979 -35.5975 -35.5975 -18.8731 -18.8731 -18.5113 -18.5113 -18.4745 -18.4745 -16.8580 -16.8580 -16.8566 -16.8566 -16.4974 -16.4974 -16.4924 -16.4924 -16.4606 -16.4606 -16.4562 -16.4562 -11.3174 -11.3174 -11.3159 -11.3159 -0.3590 -0.3590 -0.2362 -0.2362 -0.0154 -0.0154 0.0988 0.0988 0.2284 0.2284 0.4531 0.4531 0.5152 0.5152 4.4901 4.4901 4.8142 4.8142 5.4635 5.4635 6.7067 6.7067 6.9954 6.9954 7.0809 7.0809 7.6205 7.6205 7.7513 7.7513 k = 0.6339-0.5636-1.4114 ( 7990 PWs) bands (ev): -37.6180 -37.6180 -35.5979 -35.5979 -35.5975 -35.5975 -18.8731 -18.8731 -18.5112 -18.5112 -18.4744 -18.4744 -16.8582 -16.8582 -16.8563 -16.8563 -16.4975 -16.4975 -16.4923 -16.4923 -16.4605 -16.4605 -16.4561 -16.4561 -11.3180 -11.3180 -11.3161 -11.3161 -0.3756 -0.3756 -0.2332 -0.2332 -0.0105 -0.0105 0.1050 0.1050 0.2376 0.2376 0.4516 0.4516 0.5193 0.5193 4.4504 4.4504 4.8709 4.8709 5.4591 5.4591 6.6515 6.6515 7.0240 7.0240 7.1074 7.1074 7.6150 7.6150 7.7464 7.7465 k = 0.6269-0.5286-1.4114 ( 7994 PWs) bands (ev): -37.6180 -37.6180 -35.5980 -35.5980 -35.5975 -35.5975 -18.8730 -18.8730 -18.5112 -18.5112 -18.4744 -18.4744 -16.8583 -16.8583 -16.8561 -16.8561 -16.4975 -16.4975 -16.4923 -16.4923 -16.4604 -16.4604 -16.4559 -16.4559 -11.3187 -11.3187 -11.3163 -11.3163 -0.3931 -0.3931 -0.2322 -0.2322 -0.0059 -0.0059 0.1138 0.1138 0.2481 0.2481 0.4508 0.4508 0.5237 0.5237 4.4121 4.4121 4.9302 4.9302 5.4540 5.4540 6.5949 6.5949 7.0538 7.0538 7.1325 7.1325 7.6026 7.6026 7.7414 7.7419 k = 0.6198-0.4937-1.4114 ( 7990 PWs) bands (ev): -37.6180 -37.6180 -35.5980 -35.5980 -35.5974 -35.5974 -18.8730 -18.8730 -18.5111 -18.5111 -18.4743 -18.4743 -16.8585 -16.8585 -16.8559 -16.8559 -16.4975 -16.4975 -16.4923 -16.4923 -16.4603 -16.4603 -16.4557 -16.4557 -11.3196 -11.3196 -11.3165 -11.3165 -0.4109 -0.4109 -0.2332 -0.2332 -0.0023 -0.0023 0.1256 0.1256 0.2596 0.2596 0.4509 0.4509 0.5286 0.5286 4.3754 4.3754 4.9917 4.9917 5.4486 5.4486 6.5381 6.5381 7.0837 7.0837 7.1557 7.1557 7.5821 7.5821 7.7234 7.7236 k = 0.6128-0.4587-1.4114 ( 7994 PWs) bands (ev): -37.6180 -37.6180 -35.5980 -35.5980 -35.5974 -35.5974 -18.8729 -18.8729 -18.5110 -18.5110 -18.4743 -18.4743 -16.8586 -16.8586 -16.8557 -16.8557 -16.4976 -16.4976 -16.4923 -16.4923 -16.4601 -16.4601 -16.4555 -16.4555 -11.3205 -11.3205 -11.3167 -11.3167 -0.4287 -0.4287 -0.2359 -0.2359 -0.0002 -0.0002 0.1402 0.1402 0.2716 0.2716 0.4520 0.4520 0.5338 0.5338 4.3403 4.3403 5.0551 5.0551 5.4428 5.4428 6.4814 6.4814 7.1129 7.1129 7.1767 7.1767 7.5520 7.5520 7.6738 7.6738 k = 0.6057-0.4237-1.4114 ( 8002 PWs) bands (ev): -37.6180 -37.6180 -35.5981 -35.5981 -35.5974 -35.5974 -18.8728 -18.8728 -18.5109 -18.5109 -18.4742 -18.4742 -16.8587 -16.8587 -16.8555 -16.8555 -16.4976 -16.4976 -16.4923 -16.4923 -16.4600 -16.4600 -16.4553 -16.4553 -11.3215 -11.3215 -11.3169 -11.3169 -0.4462 -0.4462 -0.2400 -0.2400 0.0003 0.0003 0.1571 0.1571 0.2838 0.2838 0.4545 0.4545 0.5394 0.5394 4.3068 4.3068 5.1200 5.1200 5.4368 5.4368 6.4254 6.4254 7.1405 7.1405 7.1952 7.1952 7.5130 7.5130 7.6317 7.6317 k = 0.5987-0.3888-1.4114 ( 8000 PWs) bands (ev): -37.6180 -37.6180 -35.5981 -35.5981 -35.5974 -35.5974 -18.8728 -18.8728 -18.5108 -18.5108 -18.4742 -18.4742 -16.8588 -16.8588 -16.8553 -16.8553 -16.4977 -16.4977 -16.4923 -16.4923 -16.4598 -16.4598 -16.4551 -16.4551 -11.3225 -11.3225 -11.3172 -11.3172 -0.4633 -0.4633 -0.2450 -0.2450 -0.0006 -0.0006 0.1755 0.1755 0.2955 0.2955 0.4586 0.4586 0.5454 0.5454 4.2751 4.2751 5.1858 5.1858 5.4307 5.4307 6.3704 6.3704 7.1655 7.1655 7.2109 7.2109 7.4687 7.4687 7.5958 7.5958 k = 0.5916-0.3538-1.4114 ( 8008 PWs) bands (ev): -37.6180 -37.6180 -35.5982 -35.5982 -35.5973 -35.5973 -18.8727 -18.8727 -18.5107 -18.5107 -18.4741 -18.4741 -16.8589 -16.8589 -16.8551 -16.8551 -16.4977 -16.4977 -16.4924 -16.4924 -16.4597 -16.4597 -16.4549 -16.4549 -11.3236 -11.3236 -11.3174 -11.3174 -0.4797 -0.4797 -0.2508 -0.2508 -0.0025 -0.0025 0.1945 0.1945 0.3064 0.3064 0.4645 0.4645 0.5518 0.5518 4.2452 4.2452 5.2520 5.2520 5.4246 5.4246 6.3167 6.3167 7.1859 7.1859 7.2236 7.2236 7.4248 7.4248 7.5633 7.5633 k = 0.5846-0.3188-1.4114 ( 8008 PWs) bands (ev): -37.6181 -37.6181 -35.5982 -35.5982 -35.5973 -35.5973 -18.8727 -18.8727 -18.5107 -18.5107 -18.4740 -18.4740 -16.8590 -16.8590 -16.8549 -16.8549 -16.4977 -16.4977 -16.4924 -16.4924 -16.4595 -16.4595 -16.4546 -16.4546 -11.3247 -11.3247 -11.3176 -11.3176 -0.4953 -0.4953 -0.2568 -0.2568 -0.0051 -0.0051 0.2133 0.2133 0.3161 0.3161 0.4724 0.4724 0.5586 0.5586 4.2172 4.2172 5.3182 5.3182 5.4188 5.4188 6.2647 6.2647 7.1988 7.1988 7.2329 7.2329 7.3870 7.3870 7.5328 7.5328 k = 0.5775-0.2839-1.4114 ( 8022 PWs) bands (ev): -37.6181 -37.6181 -35.5982 -35.5982 -35.5973 -35.5973 -18.8726 -18.8726 -18.5106 -18.5106 -18.4740 -18.4740 -16.8591 -16.8591 -16.8548 -16.8548 -16.4978 -16.4978 -16.4924 -16.4924 -16.4594 -16.4594 -16.4544 -16.4544 -11.3257 -11.3257 -11.3178 -11.3178 -0.5100 -0.5100 -0.2631 -0.2631 -0.0083 -0.0083 0.2314 0.2314 0.3243 0.3243 0.4822 0.4822 0.5657 0.5657 4.1911 4.1911 5.3831 5.3831 5.4137 5.4137 6.2147 6.2147 7.1995 7.1995 7.2384 7.2384 7.3614 7.3614 7.5041 7.5041 k = 0.5705-0.2489-1.4114 ( 8026 PWs) bands (ev): -37.6181 -37.6181 -35.5983 -35.5983 -35.5973 -35.5973 -18.8726 -18.8726 -18.5105 -18.5105 -18.4739 -18.4739 -16.8591 -16.8591 -16.8546 -16.8546 -16.4978 -16.4978 -16.4925 -16.4925 -16.4592 -16.4592 -16.4542 -16.4542 -11.3268 -11.3268 -11.3180 -11.3180 -0.5237 -0.5237 -0.2692 -0.2692 -0.0117 -0.0117 0.2481 0.2481 0.3310 0.3310 0.4939 0.4939 0.5730 0.5730 4.1671 4.1671 5.4063 5.4063 5.4492 5.4492 6.1672 6.1672 7.1847 7.1847 7.2412 7.2412 7.3503 7.3503 7.4782 7.4782 k = 0.5634-0.2139-1.4114 ( 8028 PWs) bands (ev): -37.6181 -37.6181 -35.5983 -35.5983 -35.5973 -35.5973 -18.8725 -18.8725 -18.5104 -18.5104 -18.4738 -18.4738 -16.8592 -16.8592 -16.8545 -16.8545 -16.4979 -16.4979 -16.4925 -16.4925 -16.4591 -16.4591 -16.4539 -16.4539 -11.3278 -11.3278 -11.3182 -11.3182 -0.5363 -0.5363 -0.2751 -0.2751 -0.0152 -0.0152 0.2633 0.2633 0.3362 0.3362 0.5070 0.5070 0.5803 0.5803 4.1451 4.1451 5.4016 5.4016 5.5110 5.5110 6.1225 6.1225 7.1586 7.1586 7.2424 7.2424 7.3469 7.3469 7.4577 7.4577 k = 0.5564-0.1790-1.4114 ( 8024 PWs) bands (ev): -37.6181 -37.6181 -35.5983 -35.5983 -35.5973 -35.5973 -18.8725 -18.8725 -18.5104 -18.5104 -18.4738 -18.4738 -16.8592 -16.8592 -16.8543 -16.8543 -16.4979 -16.4979 -16.4925 -16.4925 -16.4590 -16.4590 -16.4537 -16.4537 -11.3287 -11.3287 -11.3183 -11.3183 -0.5478 -0.5478 -0.2807 -0.2807 -0.0186 -0.0186 0.2768 0.2768 0.3401 0.3401 0.5210 0.5210 0.5875 0.5875 4.1253 4.1253 5.3968 5.3968 5.5704 5.5704 6.0812 6.0812 7.1282 7.1282 7.2422 7.2422 7.3415 7.3415 7.4460 7.4460 k = 0.5493-0.1440-1.4114 ( 8026 PWs) bands (ev): -37.6181 -37.6181 -35.5984 -35.5984 -35.5973 -35.5973 -18.8724 -18.8724 -18.5103 -18.5103 -18.4737 -18.4737 -16.8593 -16.8593 -16.8542 -16.8542 -16.4980 -16.4980 -16.4925 -16.4925 -16.4588 -16.4588 -16.4535 -16.4535 -11.3295 -11.3295 -11.3185 -11.3185 -0.5580 -0.5580 -0.2859 -0.2859 -0.0219 -0.0219 0.2885 0.2885 0.3428 0.3428 0.5353 0.5353 0.5943 0.5943 4.1077 4.1077 5.3925 5.3925 5.6260 5.6260 6.0437 6.0437 7.0979 7.0979 7.2409 7.2409 7.3293 7.3293 7.4445 7.4445 k = 0.5423-0.1090-1.4114 ( 8022 PWs) bands (ev): -37.6181 -37.6181 -35.5984 -35.5984 -35.5972 -35.5972 -18.8724 -18.8724 -18.5103 -18.5103 -18.4736 -18.4736 -16.8593 -16.8593 -16.8541 -16.8541 -16.4980 -16.4980 -16.4925 -16.4925 -16.4587 -16.4587 -16.4533 -16.4533 -11.3303 -11.3303 -11.3187 -11.3187 -0.5670 -0.5670 -0.2905 -0.2905 -0.0249 -0.0249 0.2986 0.2986 0.3446 0.3446 0.5494 0.5494 0.6005 0.6005 4.0923 4.0923 5.3886 5.3886 5.6770 5.6770 6.0104 6.0104 7.0698 7.0698 7.2389 7.2389 7.3120 7.3120 7.4497 7.4497 k = 0.5352-0.0741-1.4114 ( 8022 PWs) bands (ev): -37.6181 -37.6181 -35.5984 -35.5984 -35.5972 -35.5972 -18.8723 -18.8723 -18.5102 -18.5102 -18.4736 -18.4736 -16.8594 -16.8594 -16.8540 -16.8540 -16.4980 -16.4980 -16.4925 -16.4925 -16.4586 -16.4586 -16.4532 -16.4532 -11.3309 -11.3309 -11.3188 -11.3188 -0.5747 -0.5747 -0.2945 -0.2945 -0.0276 -0.0276 0.3071 0.3071 0.3455 0.3455 0.5627 0.5627 0.6058 0.6058 4.0793 4.0793 5.3853 5.3853 5.7221 5.7221 5.9820 5.9820 7.0449 7.0449 7.2365 7.2365 7.2932 7.2932 7.4578 7.4578 k = 0.5282-0.0391-1.4114 ( 8022 PWs) bands (ev): -37.6181 -37.6181 -35.5984 -35.5984 -35.5972 -35.5972 -18.8723 -18.8723 -18.5102 -18.5102 -18.4735 -18.4735 -16.8594 -16.8594 -16.8539 -16.8539 -16.4980 -16.4980 -16.4926 -16.4926 -16.4586 -16.4586 -16.4530 -16.4530 -11.3315 -11.3315 -11.3189 -11.3189 -0.5810 -0.5810 -0.2978 -0.2978 -0.0298 -0.0298 0.3141 0.3141 0.3458 0.3458 0.5747 0.5747 0.6101 0.6101 4.0685 4.0685 5.3825 5.3825 5.7603 5.7603 5.9588 5.9588 7.0239 7.0239 7.2341 7.2341 7.2755 7.2755 7.4662 7.4662 k = 0.5211-0.0041-1.4114 ( 8028 PWs) bands (ev): -37.6181 -37.6181 -35.5984 -35.5984 -35.5972 -35.5972 -18.8723 -18.8723 -18.5102 -18.5102 -18.4735 -18.4735 -16.8594 -16.8594 -16.8539 -16.8539 -16.4981 -16.4981 -16.4926 -16.4926 -16.4585 -16.4585 -16.4529 -16.4529 -11.3319 -11.3319 -11.3190 -11.3190 -0.5859 -0.5859 -0.3004 -0.3004 -0.0316 -0.0316 0.3197 0.3197 0.3457 0.3457 0.5850 0.5850 0.6131 0.6131 4.0601 4.0601 5.3803 5.3803 5.7903 5.7903 5.9415 5.9415 7.0073 7.0073 7.2319 7.2319 7.2604 7.2604 7.4735 7.4735 k = 0.5141 0.0308-1.4114 ( 8020 PWs) bands (ev): -37.6181 -37.6181 -35.5984 -35.5984 -35.5972 -35.5972 -18.8723 -18.8723 -18.5101 -18.5101 -18.4735 -18.4735 -16.8594 -16.8594 -16.8539 -16.8539 -16.4981 -16.4981 -16.4926 -16.4926 -16.4584 -16.4584 -16.4528 -16.4528 -11.3323 -11.3323 -11.3190 -11.3190 -0.5895 -0.5895 -0.3023 -0.3023 -0.0330 -0.0330 0.3240 0.3240 0.3452 0.3452 0.5931 0.5931 0.6149 0.6149 4.0541 4.0541 5.3787 5.3787 5.8113 5.8113 5.9301 5.9301 6.9951 6.9951 7.2301 7.2301 7.2489 7.2489 7.4791 7.4791 k = 0.5070 0.0658-1.4114 ( 8022 PWs) bands (ev): -37.6181 -37.6181 -35.5984 -35.5984 -35.5972 -35.5972 -18.8722 -18.8722 -18.5101 -18.5101 -18.4734 -18.4734 -16.8594 -16.8594 -16.8538 -16.8538 -16.4981 -16.4981 -16.4926 -16.4926 -16.4584 -16.4584 -16.4528 -16.4528 -11.3324 -11.3324 -11.3191 -11.3191 -0.5916 -0.5916 -0.3035 -0.3035 -0.0338 -0.0338 0.3267 0.3267 0.3447 0.3447 0.5986 0.5986 0.6155 0.6155 4.0504 4.0504 5.3778 5.3778 5.8232 5.8232 5.9243 5.9243 6.9878 6.9878 7.2290 7.2290 7.2417 7.2417 7.4826 7.4826 k = 0.5000 0.1008-1.4114 ( 8022 PWs) bands (ev): -37.6181 -37.6181 -35.5984 -35.5984 -35.5972 -35.5972 -18.8722 -18.8722 -18.5101 -18.5101 -18.4734 -18.4734 -16.8594 -16.8594 -16.8538 -16.8538 -16.4981 -16.4981 -16.4926 -16.4926 -16.4584 -16.4584 -16.4528 -16.4528 -11.3325 -11.3325 -11.3191 -11.3191 -0.5923 -0.5923 -0.3039 -0.3039 -0.0340 -0.0340 0.3277 0.3277 0.3444 0.3444 0.6006 0.6006 0.6155 0.6155 4.0492 4.0492 5.3774 5.3774 5.8269 5.8269 5.9226 5.9226 6.9853 6.9853 7.2287 7.2287 7.2392 7.2392 7.4838 7.4838 k = 0.5000 0.1008-1.4114 ( 8022 PWs) bands (ev): -37.6181 -37.6181 -35.5984 -35.5984 -35.5972 -35.5972 -18.8722 -18.8722 -18.5101 -18.5101 -18.4734 -18.4734 -16.8594 -16.8594 -16.8538 -16.8538 -16.4981 -16.4981 -16.4926 -16.4926 -16.4584 -16.4584 -16.4528 -16.4528 -11.3325 -11.3325 -11.3191 -11.3191 -0.5923 -0.5923 -0.3039 -0.3039 -0.0340 -0.0340 0.3277 0.3277 0.3444 0.3444 0.6006 0.6006 0.6155 0.6155 4.0492 4.0492 5.3774 5.3774 5.8269 5.8269 5.9226 5.9226 6.9853 6.9853 7.2287 7.2287 7.2392 7.2392 7.4838 7.4838 k = 0.5324 0.1073-1.3994 ( 8015 PWs) bands (ev): -37.6181 -37.6181 -35.5984 -35.5984 -35.5972 -35.5972 -18.8722 -18.8722 -18.5101 -18.5101 -18.4734 -18.4734 -16.8594 -16.8594 -16.8538 -16.8538 -16.4981 -16.4981 -16.4926 -16.4926 -16.4584 -16.4584 -16.4528 -16.4528 -11.3325 -11.3325 -11.3191 -11.3191 -0.5920 -0.5920 -0.3046 -0.3046 -0.0337 -0.0337 0.3277 0.3277 0.3445 0.3445 0.6005 0.6005 0.6156 0.6156 4.0498 4.0498 5.3766 5.3766 5.8276 5.8276 5.9226 5.9226 6.9857 6.9857 7.2198 7.2198 7.2459 7.2459 7.4841 7.4841 k = 0.5648 0.1138-1.3874 ( 8008 PWs) bands (ev): -37.6181 -37.6181 -35.5984 -35.5984 -35.5972 -35.5972 -18.8722 -18.8722 -18.5101 -18.5101 -18.4734 -18.4734 -16.8594 -16.8594 -16.8538 -16.8538 -16.4981 -16.4981 -16.4926 -16.4926 -16.4584 -16.4584 -16.4528 -16.4528 -11.3325 -11.3325 -11.3191 -11.3191 -0.5908 -0.5908 -0.3066 -0.3066 -0.0329 -0.0329 0.3276 0.3276 0.3448 0.3448 0.6001 0.6001 0.6159 0.6159 4.0515 4.0515 5.3740 5.3740 5.8296 5.8296 5.9227 5.9227 6.9867 6.9867 7.2053 7.2053 7.2540 7.2540 7.4851 7.4851 k = 0.5973 0.1204-1.3755 ( 8005 PWs) bands (ev): -37.6181 -37.6181 -35.5985 -35.5985 -35.5972 -35.5972 -18.8722 -18.8722 -18.5101 -18.5101 -18.4734 -18.4734 -16.8594 -16.8594 -16.8538 -16.8538 -16.4981 -16.4981 -16.4926 -16.4926 -16.4584 -16.4584 -16.4527 -16.4527 -11.3326 -11.3326 -11.3191 -11.3191 -0.5890 -0.5890 -0.3099 -0.3099 -0.0316 -0.0316 0.3273 0.3273 0.3454 0.3454 0.5996 0.5996 0.6164 0.6164 4.0543 4.0543 5.3698 5.3698 5.8329 5.8329 5.9228 5.9228 6.9878 6.9878 7.1891 7.1891 7.2602 7.2602 7.4866 7.4866 k = 0.6297 0.1269-1.3635 ( 8013 PWs) bands (ev): -37.6181 -37.6181 -35.5985 -35.5985 -35.5972 -35.5972 -18.8722 -18.8722 -18.5101 -18.5101 -18.4734 -18.4734 -16.8594 -16.8594 -16.8538 -16.8538 -16.4981 -16.4981 -16.4925 -16.4925 -16.4584 -16.4584 -16.4528 -16.4528 -11.3327 -11.3327 -11.3191 -11.3191 -0.5865 -0.5865 -0.3141 -0.3141 -0.0301 -0.0301 0.3270 0.3270 0.3462 0.3462 0.5989 0.5989 0.6171 0.6171 4.0580 4.0580 5.3642 5.3642 5.8373 5.8373 5.9229 5.9229 6.9884 6.9884 7.1718 7.1718 7.2649 7.2649 7.4888 7.4888 k = 0.6621 0.1334-1.3516 ( 8023 PWs) bands (ev): -37.6181 -37.6181 -35.5985 -35.5985 -35.5972 -35.5972 -18.8722 -18.8722 -18.5101 -18.5101 -18.4734 -18.4734 -16.8595 -16.8595 -16.8538 -16.8538 -16.4981 -16.4981 -16.4925 -16.4925 -16.4584 -16.4584 -16.4528 -16.4528 -11.3328 -11.3328 -11.3191 -11.3191 -0.5833 -0.5833 -0.3192 -0.3192 -0.0285 -0.0285 0.3264 0.3264 0.3474 0.3474 0.5981 0.5981 0.6180 0.6180 4.0625 4.0625 5.3575 5.3575 5.8426 5.8426 5.9231 5.9231 6.9878 6.9878 7.1543 7.1543 7.2684 7.2684 7.4918 7.4918 k = 0.6621 0.1334-1.3516 ( 8023 PWs) bands (ev): -37.6181 -37.6181 -35.5985 -35.5985 -35.5972 -35.5972 -18.8722 -18.8722 -18.5101 -18.5101 -18.4734 -18.4734 -16.8595 -16.8595 -16.8538 -16.8538 -16.4981 -16.4981 -16.4925 -16.4925 -16.4584 -16.4584 -16.4528 -16.4528 -11.3328 -11.3328 -11.3191 -11.3191 -0.5833 -0.5833 -0.3192 -0.3192 -0.0285 -0.0285 0.3264 0.3264 0.3474 0.3474 0.5981 0.5981 0.6180 0.6180 4.0625 4.0625 5.3575 5.3575 5.8426 5.8426 5.9231 5.9231 6.9878 6.9878 7.1543 7.1543 7.2684 7.2684 7.4918 7.4918 k = 0.6579 0.1326-1.3154 ( 8026 PWs) bands (ev): -37.6181 -37.6181 -35.5985 -35.5985 -35.5972 -35.5972 -18.8722 -18.8722 -18.5100 -18.5100 -18.4735 -18.4735 -16.8595 -16.8595 -16.8537 -16.8537 -16.4982 -16.4982 -16.4924 -16.4924 -16.4583 -16.4583 -16.4527 -16.4527 -11.3334 -11.3334 -11.3192 -11.3192 -0.5789 -0.5789 -0.3231 -0.3231 -0.0262 -0.0262 0.3174 0.3174 0.3558 0.3558 0.5922 0.5922 0.6253 0.6253 4.0719 4.0719 5.3523 5.3523 5.8452 5.8452 5.9242 5.9242 6.9792 6.9792 7.1479 7.1479 7.2746 7.2746 7.4924 7.4924 k = 0.6538 0.1318-1.2792 ( 8016 PWs) bands (ev): -37.6181 -37.6181 -35.5985 -35.5985 -35.5972 -35.5972 -18.8721 -18.8721 -18.5098 -18.5098 -18.4735 -18.4735 -16.8596 -16.8596 -16.8535 -16.8535 -16.4984 -16.4984 -16.4921 -16.4921 -16.4582 -16.4582 -16.4526 -16.4526 -11.3345 -11.3345 -11.3194 -11.3194 -0.5723 -0.5723 -0.3270 -0.3270 -0.0258 -0.0258 0.3078 0.3078 0.3655 0.3655 0.5865 0.5865 0.6339 0.6339 4.0865 4.0865 5.3435 5.3435 5.8496 5.8496 5.9260 5.9260 6.9672 6.9672 7.1430 7.1430 7.2792 7.2792 7.4938 7.4938 k = 0.6496 0.1309-1.2430 ( 8009 PWs) bands (ev): -37.6182 -37.6182 -35.5985 -35.5985 -35.5972 -35.5972 -18.8720 -18.8720 -18.5096 -18.5096 -18.4735 -18.4735 -16.8596 -16.8596 -16.8532 -16.8532 -16.4986 -16.4986 -16.4917 -16.4917 -16.4581 -16.4581 -16.4525 -16.4525 -11.3359 -11.3359 -11.3197 -11.3197 -0.5636 -0.5636 -0.3309 -0.3309 -0.0272 -0.0272 0.2981 0.2981 0.3759 0.3759 0.5815 0.5815 0.6433 0.6433 4.1063 4.1063 5.3313 5.3313 5.8559 5.8559 5.9284 5.9284 6.9513 6.9513 7.1401 7.1401 7.2822 7.2822 7.4952 7.4952 k = 0.6455 0.1301-1.2068 ( 8003 PWs) bands (ev): -37.6182 -37.6182 -35.5986 -35.5986 -35.5972 -35.5972 -18.8718 -18.8718 -18.5093 -18.5093 -18.4735 -18.4735 -16.8597 -16.8597 -16.8529 -16.8529 -16.4988 -16.4988 -16.4913 -16.4913 -16.4579 -16.4579 -16.4523 -16.4523 -11.3378 -11.3378 -11.3201 -11.3201 -0.5531 -0.5531 -0.3349 -0.3349 -0.0298 -0.0298 0.2885 0.2885 0.3869 0.3869 0.5773 0.5773 0.6535 0.6535 4.1311 4.1311 5.3157 5.3157 5.8641 5.8641 5.9315 5.9315 6.9317 6.9317 7.1390 7.1390 7.2841 7.2841 7.4959 7.4959 k = 0.6413 0.1293-1.1707 ( 8008 PWs) bands (ev): -37.6182 -37.6182 -35.5986 -35.5986 -35.5972 -35.5972 -18.8716 -18.8716 -18.5090 -18.5090 -18.4736 -18.4736 -16.8598 -16.8598 -16.8526 -16.8526 -16.4990 -16.4990 -16.4909 -16.4909 -16.4577 -16.4577 -16.4522 -16.4522 -11.3400 -11.3400 -11.3205 -11.3205 -0.5408 -0.5408 -0.3392 -0.3392 -0.0334 -0.0334 0.2792 0.2792 0.3983 0.3983 0.5740 0.5740 0.6642 0.6642 4.1608 4.1608 5.2969 5.2969 5.8740 5.8740 5.9352 5.9352 6.9092 6.9092 7.1384 7.1384 7.2858 7.2858 7.4945 7.4945 k = 0.6372 0.1284-1.1345 ( 8007 PWs) bands (ev): -37.6182 -37.6182 -35.5987 -35.5987 -35.5971 -35.5971 -18.8714 -18.8714 -18.5086 -18.5086 -18.4737 -18.4737 -16.8599 -16.8599 -16.8522 -16.8522 -16.4993 -16.4993 -16.4903 -16.4903 -16.4575 -16.4575 -16.4519 -16.4519 -11.3426 -11.3426 -11.3210 -11.3210 -0.5272 -0.5272 -0.3439 -0.3439 -0.0375 -0.0375 0.2702 0.2702 0.4098 0.4098 0.5716 0.5716 0.6755 0.6755 4.1953 4.1953 5.2751 5.2751 5.8856 5.8856 5.9395 5.9395 6.8846 6.8846 7.1368 7.1368 7.2885 7.2885 7.4897 7.4897 k = 0.6330 0.1276-1.0983 ( 8018 PWs) bands (ev): -37.6182 -37.6182 -35.5988 -35.5988 -35.5971 -35.5971 -18.8712 -18.8712 -18.5082 -18.5082 -18.4737 -18.4737 -16.8600 -16.8600 -16.8518 -16.8518 -16.4995 -16.4995 -16.4898 -16.4898 -16.4572 -16.4572 -16.4517 -16.4517 -11.3455 -11.3455 -11.3215 -11.3215 -0.5127 -0.5127 -0.3489 -0.3489 -0.0417 -0.0417 0.2619 0.2619 0.4216 0.4216 0.5702 0.5702 0.6873 0.6873 4.2343 4.2343 5.2504 5.2504 5.8988 5.8988 5.9444 5.9444 6.8589 6.8589 7.1329 7.1329 7.2930 7.2930 7.4803 7.4803 k = 0.6288 0.1267-1.0621 ( 8019 PWs) bands (ev): -37.6183 -37.6183 -35.5988 -35.5988 -35.5971 -35.5971 -18.8710 -18.8710 -18.5078 -18.5078 -18.4738 -18.4738 -16.8601 -16.8601 -16.8513 -16.8513 -16.4998 -16.4998 -16.4892 -16.4892 -16.4569 -16.4569 -16.4514 -16.4514 -11.3488 -11.3488 -11.3221 -11.3221 -0.4981 -0.4981 -0.3540 -0.3540 -0.0455 -0.0455 0.2544 0.2544 0.4333 0.4333 0.5700 0.5700 0.6996 0.6996 4.2777 4.2777 5.2229 5.2229 5.9134 5.9134 5.9498 5.9498 6.8327 6.8327 7.1260 7.1260 7.2997 7.2997 7.4655 7.4655 k = 0.6247 0.1259-1.0259 ( 8014 PWs) bands (ev): -37.6183 -37.6183 -35.5989 -35.5989 -35.5971 -35.5971 -18.8707 -18.8707 -18.5072 -18.5072 -18.4739 -18.4739 -16.8602 -16.8602 -16.8508 -16.8508 -16.5000 -16.5000 -16.4886 -16.4886 -16.4565 -16.4565 -16.4511 -16.4511 -11.3524 -11.3524 -11.3228 -11.3228 -0.4845 -0.4845 -0.3584 -0.3584 -0.0485 -0.0485 0.2480 0.2480 0.4450 0.4450 0.5709 0.5709 0.7122 0.7122 4.3253 4.3253 5.1928 5.1928 5.9292 5.9292 5.9557 5.9557 6.8067 6.8067 7.1157 7.1157 7.3077 7.3077 7.4457 7.4457 k = 0.6205 0.1251-0.9897 ( 8013 PWs) bands (ev): -37.6183 -37.6183 -35.5990 -35.5990 -35.5971 -35.5971 -18.8704 -18.8704 -18.5067 -18.5067 -18.4740 -18.4740 -16.8603 -16.8603 -16.8503 -16.8503 -16.5002 -16.5002 -16.4880 -16.4880 -16.4562 -16.4562 -16.4507 -16.4507 -11.3562 -11.3562 -11.3235 -11.3235 -0.4739 -0.4739 -0.3609 -0.3609 -0.0504 -0.0504 0.2428 0.2428 0.4564 0.4564 0.5731 0.5731 0.7252 0.7252 4.3767 4.3767 5.1604 5.1604 5.9461 5.9461 5.9621 5.9621 6.7812 6.7812 7.1026 7.1026 7.3142 7.3142 7.4232 7.4232 k = 0.6164 0.1242-0.9535 ( 8000 PWs) bands (ev): -37.6184 -37.6184 -35.5991 -35.5991 -35.5971 -35.5971 -18.8701 -18.8701 -18.5060 -18.5060 -18.4741 -18.4741 -16.8604 -16.8604 -16.8498 -16.8498 -16.5005 -16.5005 -16.4874 -16.4874 -16.4558 -16.4558 -16.4503 -16.4503 -11.3603 -11.3603 -11.3243 -11.3243 -0.4685 -0.4685 -0.3596 -0.3596 -0.0506 -0.0506 0.2393 0.2393 0.4675 0.4675 0.5767 0.5767 0.7384 0.7384 4.4317 4.4317 5.1257 5.1257 5.9636 5.9636 5.9689 5.9689 6.7565 6.7565 7.0872 7.0872 7.3120 7.3120 7.4050 7.4050 k = 0.6122 0.1234-0.9173 ( 8012 PWs) bands (ev): -37.6184 -37.6184 -35.5992 -35.5992 -35.5971 -35.5971 -18.8698 -18.8698 -18.5054 -18.5054 -18.4742 -18.4742 -16.8604 -16.8604 -16.8493 -16.8493 -16.5007 -16.5007 -16.4867 -16.4867 -16.4554 -16.4554 -16.4499 -16.4499 -11.3647 -11.3647 -11.3251 -11.3251 -0.4698 -0.4698 -0.3537 -0.3537 -0.0489 -0.0489 0.2376 0.2376 0.4782 0.4782 0.5817 0.5817 0.7519 0.7519 4.4901 4.4901 5.0890 5.0890 5.9762 5.9762 5.9816 5.9816 6.7329 6.7329 7.0700 7.0700 7.2913 7.2913 7.4014 7.4014 k = 0.6081 0.1226-0.8811 ( 8011 PWs) bands (ev): -37.6184 -37.6184 -35.5993 -35.5993 -35.5970 -35.5970 -18.8694 -18.8694 -18.5048 -18.5048 -18.4742 -18.4742 -16.8605 -16.8605 -16.8487 -16.8487 -16.5009 -16.5009 -16.4861 -16.4861 -16.4550 -16.4550 -16.4495 -16.4495 -11.3692 -11.3692 -11.3260 -11.3260 -0.4775 -0.4775 -0.3441 -0.3441 -0.0447 -0.0447 0.2380 0.2380 0.4882 0.4882 0.5883 0.5883 0.7654 0.7654 4.5515 4.5515 5.0506 5.0506 5.9837 5.9837 5.9995 5.9995 6.7105 6.7105 7.0515 7.0515 7.2538 7.2538 7.4112 7.4112 k = 0.6039 0.1217-0.8450 ( 8011 PWs) bands (ev): -37.6185 -37.6185 -35.5994 -35.5994 -35.5970 -35.5970 -18.8691 -18.8691 -18.5041 -18.5041 -18.4744 -18.4744 -16.8605 -16.8605 -16.8482 -16.8482 -16.5011 -16.5011 -16.4854 -16.4854 -16.4546 -16.4546 -16.4490 -16.4490 -11.3740 -11.3740 -11.3269 -11.3269 -0.4901 -0.4901 -0.3330 -0.3330 -0.0375 -0.0375 0.2407 0.2407 0.4976 0.4976 0.5964 0.5964 0.7791 0.7791 4.6154 4.6154 5.0108 5.0108 5.9916 5.9916 6.0169 6.0169 6.6895 6.6895 7.0322 7.0322 7.2073 7.2073 7.4211 7.4228 k = 0.5997 0.1209-0.8088 ( 8007 PWs) bands (ev): -37.6185 -37.6185 -35.5994 -35.5994 -35.5970 -35.5970 -18.8687 -18.8687 -18.5033 -18.5033 -18.4745 -18.4745 -16.8606 -16.8606 -16.8476 -16.8476 -16.5012 -16.5012 -16.4848 -16.4848 -16.4541 -16.4541 -16.4486 -16.4486 -11.3788 -11.3788 -11.3278 -11.3278 -0.5061 -0.5061 -0.3225 -0.3225 -0.0268 -0.0268 0.2458 0.2458 0.5065 0.5065 0.6060 0.6060 0.7927 0.7927 4.6812 4.6812 4.9703 4.9703 5.9996 5.9996 6.0332 6.0332 6.6699 6.6699 7.0124 7.0124 7.1562 7.1562 7.3871 7.3871 k = 0.5956 0.1200-0.7726 ( 8006 PWs) bands (ev): -37.6186 -37.6186 -35.5995 -35.5995 -35.5970 -35.5970 -18.8683 -18.8683 -18.5026 -18.5026 -18.4746 -18.4746 -16.8606 -16.8606 -16.8470 -16.8470 -16.5014 -16.5014 -16.4841 -16.4841 -16.4537 -16.4537 -16.4480 -16.4480 -11.3838 -11.3838 -11.3288 -11.3288 -0.5244 -0.5244 -0.3141 -0.3141 -0.0124 -0.0124 0.2535 0.2535 0.5148 0.5148 0.6170 0.6170 0.8063 0.8063 4.7468 4.7468 4.9310 4.9310 6.0079 6.0079 6.0476 6.0476 6.6519 6.6519 6.9925 6.9925 7.1033 7.1033 7.3526 7.3526 k = 0.5914 0.1192-0.7364 ( 8017 PWs) bands (ev): -37.6186 -37.6186 -35.5996 -35.5996 -35.5970 -35.5970 -18.8679 -18.8679 -18.5019 -18.5019 -18.4747 -18.4747 -16.8606 -16.8606 -16.8465 -16.8465 -16.5016 -16.5016 -16.4835 -16.4835 -16.4532 -16.4532 -16.4475 -16.4475 -11.3889 -11.3889 -11.3298 -11.3298 -0.5442 -0.5442 -0.3086 -0.3086 0.0058 0.0058 0.2636 0.2636 0.5228 0.5228 0.6292 0.6292 0.8198 0.8198 4.8026 4.8026 4.9023 4.9023 6.0162 6.0162 6.0592 6.0592 6.6356 6.6356 6.9724 6.9724 7.0505 7.0505 7.3181 7.3181 k = 0.5873 0.1184-0.7002 ( 8009 PWs) bands (ev): -37.6187 -37.6187 -35.5997 -35.5997 -35.5970 -35.5970 -18.8675 -18.8675 -18.5011 -18.5011 -18.4748 -18.4748 -16.8606 -16.8606 -16.8459 -16.8459 -16.5017 -16.5017 -16.4829 -16.4829 -16.4528 -16.4528 -16.4469 -16.4469 -11.3940 -11.3940 -11.3308 -11.3308 -0.5650 -0.5650 -0.3062 -0.3062 0.0275 0.0275 0.2761 0.2761 0.5306 0.5306 0.6426 0.6426 0.8331 0.8331 4.8073 4.8073 4.9255 4.9255 6.0247 6.0247 6.0672 6.0672 6.6212 6.6212 6.9513 6.9513 7.0006 7.0006 7.2838 7.2838 k = 0.5831 0.1175-0.6640 ( 8017 PWs) bands (ev): -37.6187 -37.6187 -35.5998 -35.5998 -35.5970 -35.5970 -18.8672 -18.8672 -18.5003 -18.5003 -18.4749 -18.4749 -16.8606 -16.8606 -16.8454 -16.8454 -16.5018 -16.5018 -16.4822 -16.4822 -16.4524 -16.4524 -16.4464 -16.4464 -11.3992 -11.3992 -11.3317 -11.3317 -0.5865 -0.5865 -0.3070 -0.3070 0.0521 0.0521 0.2908 0.2908 0.5384 0.5384 0.6570 0.6570 0.8461 0.8461 4.7713 4.7713 4.9902 4.9902 6.0330 6.0330 6.0704 6.0704 6.6090 6.6090 6.9243 6.9243 6.9599 6.9599 7.2499 7.2499 k = 0.5790 0.1167-0.6278 ( 8022 PWs) bands (ev): -37.6188 -37.6188 -35.5999 -35.5999 -35.5970 -35.5970 -18.8668 -18.8668 -18.4996 -18.4996 -18.4750 -18.4750 -16.8606 -16.8606 -16.8448 -16.8448 -16.5020 -16.5020 -16.4816 -16.4816 -16.4519 -16.4519 -16.4458 -16.4458 -11.4043 -11.4043 -11.3327 -11.3327 -0.6082 -0.6082 -0.3104 -0.3104 0.0791 0.0791 0.3075 0.3075 0.5462 0.5462 0.6722 0.6722 0.8588 0.8588 4.7270 4.7270 5.0635 5.0635 6.0413 6.0413 6.0680 6.0680 6.5992 6.5992 6.8865 6.8865 6.9349 6.9349 7.2166 7.2166 k = 0.5748 0.1159-0.5916 ( 8020 PWs) bands (ev): -37.6188 -37.6188 -35.6000 -35.6000 -35.5970 -35.5970 -18.8664 -18.8664 -18.4988 -18.4988 -18.4751 -18.4751 -16.8606 -16.8606 -16.8443 -16.8443 -16.5021 -16.5021 -16.4810 -16.4810 -16.4515 -16.4515 -16.4452 -16.4452 -11.4094 -11.4094 -11.3337 -11.3337 -0.6300 -0.6300 -0.3160 -0.3160 0.1075 0.1075 0.3257 0.3257 0.5545 0.5545 0.6884 0.6884 0.8711 0.8711 4.6805 4.6805 5.1397 5.1397 6.0492 6.0492 6.0595 6.0595 6.5918 6.5918 6.8463 6.8463 6.9184 6.9184 7.1840 7.1840 k = 0.5707 0.1150-0.5554 ( 8019 PWs) bands (ev): -37.6189 -37.6189 -35.6001 -35.6001 -35.5970 -35.5970 -18.8660 -18.8660 -18.4980 -18.4980 -18.4752 -18.4752 -16.8606 -16.8606 -16.8438 -16.8438 -16.5022 -16.5022 -16.4805 -16.4805 -16.4511 -16.4511 -16.4446 -16.4446 -11.4145 -11.4145 -11.3347 -11.3347 -0.6516 -0.6516 -0.3233 -0.3233 0.1367 0.1367 0.3452 0.3452 0.5631 0.5631 0.7053 0.7053 0.8830 0.8830 4.6329 4.6329 5.2170 5.2170 6.0433 6.0433 6.0581 6.0581 6.5862 6.5862 6.8097 6.8097 6.9055 6.9055 7.1522 7.1522 k = 0.5665 0.1142-0.5193 ( 8021 PWs) bands (ev): -37.6189 -37.6189 -35.6002 -35.6002 -35.5970 -35.5970 -18.8657 -18.8657 -18.4973 -18.4973 -18.4752 -18.4752 -16.8606 -16.8606 -16.8433 -16.8433 -16.5023 -16.5023 -16.4799 -16.4799 -16.4506 -16.4506 -16.4440 -16.4440 -11.4194 -11.4194 -11.3357 -11.3357 -0.6728 -0.6728 -0.3318 -0.3318 0.1661 0.1661 0.3653 0.3653 0.5724 0.5724 0.7230 0.7230 0.8944 0.8944 4.5849 4.5849 5.2947 5.2947 6.0218 6.0218 6.0656 6.0656 6.5815 6.5815 6.7789 6.7789 6.8953 6.8953 7.1214 7.1214 k = 0.5623 0.1133-0.4831 ( 8027 PWs) bands (ev): -37.6189 -37.6189 -35.6002 -35.6002 -35.5970 -35.5970 -18.8653 -18.8653 -18.4966 -18.4966 -18.4753 -18.4753 -16.8606 -16.8606 -16.8428 -16.8428 -16.5024 -16.5024 -16.4794 -16.4794 -16.4502 -16.4502 -16.4434 -16.4434 -11.4242 -11.4242 -11.3366 -11.3366 -0.6934 -0.6934 -0.3411 -0.3411 0.1952 0.1952 0.3855 0.3855 0.5825 0.5825 0.7416 0.7416 0.9053 0.9053 4.5370 4.5370 5.3723 5.3723 5.9947 5.9947 6.0731 6.0731 6.5758 6.5758 6.7557 6.7557 6.8874 6.8874 7.0917 7.0917 k = 0.5582 0.1125-0.4469 ( 8036 PWs) bands (ev): -37.6190 -37.6190 -35.6003 -35.6003 -35.5970 -35.5970 -18.8650 -18.8650 -18.4959 -18.4959 -18.4754 -18.4754 -16.8606 -16.8606 -16.8423 -16.8423 -16.5025 -16.5025 -16.4789 -16.4789 -16.4499 -16.4499 -16.4429 -16.4429 -11.4288 -11.4288 -11.3375 -11.3375 -0.7133 -0.7133 -0.3510 -0.3510 0.2236 0.2236 0.4051 0.4051 0.5934 0.5934 0.7611 0.7611 0.9157 0.9157 4.4893 4.4893 5.4491 5.4491 5.9634 5.9634 6.0802 6.0802 6.5674 6.5674 6.7411 6.7411 6.8815 6.8815 7.0632 7.0632 k = 0.5540 0.1117-0.4107 ( 8045 PWs) bands (ev): -37.6190 -37.6190 -35.6004 -35.6004 -35.5971 -35.5971 -18.8647 -18.8647 -18.4953 -18.4953 -18.4755 -18.4755 -16.8606 -16.8606 -16.8419 -16.8419 -16.5026 -16.5026 -16.4785 -16.4785 -16.4495 -16.4495 -16.4423 -16.4423 -11.4333 -11.4333 -11.3384 -11.3384 -0.7323 -0.7323 -0.3611 -0.3611 0.2511 0.2511 0.4235 0.4235 0.6051 0.6051 0.7814 0.7814 0.9255 0.9255 4.4423 4.4423 5.5247 5.5247 5.9291 5.9291 6.0869 6.0869 6.5551 6.5551 6.7354 6.7354 6.8777 6.8777 7.0361 7.0361 k = 0.5499 0.1108-0.3745 ( 8051 PWs) bands (ev): -37.6191 -37.6191 -35.6004 -35.6004 -35.5971 -35.5971 -18.8644 -18.8644 -18.4946 -18.4946 -18.4756 -18.4756 -16.8606 -16.8606 -16.8415 -16.8415 -16.5026 -16.5026 -16.4780 -16.4780 -16.4491 -16.4491 -16.4418 -16.4418 -11.4375 -11.4375 -11.3392 -11.3392 -0.7503 -0.7503 -0.3712 -0.3712 0.2773 0.2773 0.4403 0.4403 0.6175 0.6175 0.8025 0.8025 0.9349 0.9349 4.3962 4.3962 5.5983 5.5983 5.8933 5.8933 6.0932 6.0932 6.5393 6.5393 6.7373 6.7373 6.8756 6.8756 7.0104 7.0104 k = 0.5457 0.1100-0.3383 ( 8042 PWs) bands (ev): -37.6191 -37.6191 -35.6005 -35.6005 -35.5971 -35.5971 -18.8641 -18.8641 -18.4940 -18.4940 -18.4756 -18.4756 -16.8605 -16.8605 -16.8411 -16.8411 -16.5027 -16.5027 -16.4776 -16.4776 -16.4488 -16.4488 -16.4413 -16.4413 -11.4415 -11.4415 -11.3400 -11.3400 -0.7672 -0.7672 -0.3811 -0.3811 0.3022 0.3022 0.4551 0.4551 0.6303 0.6303 0.8242 0.8242 0.9438 0.9438 4.3514 4.3514 5.6690 5.6690 5.8576 5.8576 6.0990 6.0990 6.5212 6.5212 6.7447 6.7447 6.8751 6.8751 6.9864 6.9864 k = 0.5416 0.1091-0.3021 ( 8044 PWs) bands (ev): -37.6191 -37.6191 -35.6006 -35.6006 -35.5971 -35.5971 -18.8638 -18.8638 -18.4935 -18.4935 -18.4756 -18.4756 -16.8605 -16.8605 -16.8407 -16.8407 -16.5027 -16.5027 -16.4772 -16.4772 -16.4485 -16.4485 -16.4408 -16.4408 -11.4452 -11.4452 -11.3407 -11.3407 -0.7830 -0.7830 -0.3906 -0.3906 0.3256 0.3256 0.4679 0.4679 0.6432 0.6432 0.8461 0.8461 0.9523 0.9523 4.3083 4.3083 5.7348 5.7348 5.8244 5.8244 6.1043 6.1043 6.5020 6.5020 6.7556 6.7556 6.8760 6.8760 6.9641 6.9641 k = 0.5374 0.1083-0.2659 ( 8047 PWs) bands (ev): -37.6192 -37.6192 -35.6006 -35.6006 -35.5971 -35.5971 -18.8635 -18.8635 -18.4930 -18.4930 -18.4757 -18.4757 -16.8605 -16.8605 -16.8404 -16.8404 -16.5028 -16.5028 -16.4769 -16.4769 -16.4482 -16.4482 -16.4403 -16.4403 -11.4487 -11.4487 -11.3414 -11.3414 -0.7975 -0.7975 -0.3996 -0.3996 0.3474 0.3474 0.4786 0.4786 0.6557 0.6557 0.8677 0.8677 0.9608 0.9608 4.2674 4.2674 5.7717 5.7717 5.8180 5.8180 6.1092 6.1092 6.4827 6.4827 6.7685 6.7685 6.8779 6.8779 6.9438 6.9438 k = 0.5332 0.1075-0.2298 ( 8061 PWs) bands (ev): -37.6192 -37.6192 -35.6007 -35.6007 -35.5971 -35.5971 -18.8633 -18.8633 -18.4925 -18.4925 -18.4757 -18.4757 -16.8605 -16.8605 -16.8401 -16.8401 -16.5029 -16.5029 -16.4766 -16.4766 -16.4479 -16.4479 -16.4399 -16.4399 -11.4518 -11.4518 -11.3420 -11.3420 -0.8106 -0.8106 -0.4080 -0.4080 0.3676 0.3676 0.4875 0.4875 0.6674 0.6674 0.8882 0.8882 0.9695 0.9695 4.2290 4.2290 5.7487 5.7487 5.8693 5.8693 6.1135 6.1135 6.4637 6.4637 6.7822 6.7822 6.8804 6.8804 6.9257 6.9257 k = 0.5291 0.1066-0.1936 ( 8065 PWs) bands (ev): -37.6192 -37.6192 -35.6007 -35.6007 -35.5971 -35.5971 -18.8631 -18.8631 -18.4921 -18.4921 -18.4758 -18.4758 -16.8605 -16.8605 -16.8398 -16.8398 -16.5029 -16.5029 -16.4763 -16.4763 -16.4477 -16.4477 -16.4395 -16.4395 -11.4546 -11.4546 -11.3425 -11.3425 -0.8224 -0.8224 -0.4156 -0.4156 0.3858 0.3858 0.4948 0.4948 0.6781 0.6781 0.9066 0.9066 0.9789 0.9789 4.1936 4.1936 5.7207 5.7207 5.9237 5.9237 6.1173 6.1173 6.4454 6.4454 6.7959 6.7959 6.8827 6.8827 6.9106 6.9106 k = 0.5249 0.1058-0.1574 ( 8065 PWs) bands (ev): -37.6192 -37.6192 -35.6008 -35.6008 -35.5971 -35.5971 -18.8630 -18.8630 -18.4918 -18.4918 -18.4758 -18.4758 -16.8604 -16.8604 -16.8396 -16.8396 -16.5029 -16.5029 -16.4761 -16.4761 -16.4475 -16.4475 -16.4392 -16.4392 -11.4571 -11.4571 -11.3430 -11.3430 -0.8327 -0.8327 -0.4223 -0.4223 0.4022 0.4022 0.5006 0.5006 0.6875 0.6875 0.9219 0.9219 0.9892 0.9892 4.1617 4.1617 5.6950 5.6950 5.9735 5.9735 6.1207 6.1207 6.4282 6.4282 6.8088 6.8088 6.8817 6.8817 6.9014 6.9014 k = 0.5208 0.1050-0.1212 ( 8055 PWs) bands (ev): -37.6193 -37.6193 -35.6008 -35.6008 -35.5971 -35.5971 -18.8628 -18.8628 -18.4914 -18.4914 -18.4758 -18.4758 -16.8604 -16.8604 -16.8394 -16.8394 -16.5029 -16.5029 -16.4759 -16.4759 -16.4473 -16.4473 -16.4389 -16.4389 -11.4592 -11.4592 -11.3434 -11.3434 -0.8415 -0.8415 -0.4281 -0.4281 0.4164 0.4164 0.5051 0.5051 0.6956 0.6956 0.9337 0.9337 1.0003 1.0003 4.1337 4.1337 5.6726 5.6726 6.0177 6.0177 6.1235 6.1235 6.4122 6.4122 6.8205 6.8205 6.8747 6.8747 6.9007 6.9007 k = 0.5166 0.1041-0.0850 ( 8053 PWs) bands (ev): -37.6193 -37.6193 -35.6008 -35.6008 -35.5971 -35.5971 -18.8627 -18.8627 -18.4912 -18.4912 -18.4758 -18.4758 -16.8604 -16.8604 -16.8392 -16.8392 -16.5030 -16.5030 -16.4757 -16.4757 -16.4472 -16.4472 -16.4387 -16.4387 -11.4609 -11.4609 -11.3438 -11.3438 -0.8487 -0.8487 -0.4330 -0.4330 0.4284 0.4284 0.5085 0.5085 0.7022 0.7022 0.9422 0.9422 1.0115 1.0115 4.1102 4.1102 5.6538 5.6538 6.0553 6.0553 6.1260 6.1260 6.3977 6.3977 6.8303 6.8303 6.8660 6.8660 6.9038 6.9038 k = 0.5125 0.1033-0.0488 ( 8056 PWs) bands (ev): -37.6193 -37.6193 -35.6008 -35.6008 -35.5971 -35.5971 -18.8626 -18.8626 -18.4910 -18.4910 -18.4758 -18.4758 -16.8604 -16.8604 -16.8391 -16.8391 -16.5030 -16.5030 -16.4756 -16.4756 -16.4470 -16.4470 -16.4385 -16.4385 -11.4623 -11.4623 -11.3441 -11.3441 -0.8544 -0.8544 -0.4368 -0.4368 0.4380 0.4380 0.5110 0.5110 0.7074 0.7074 0.9479 0.9479 1.0216 1.0216 4.0914 4.0914 5.6390 5.6390 6.0858 6.0858 6.1282 6.1282 6.3853 6.3853 6.8380 6.8380 6.8586 6.8586 6.9075 6.9075 k = 0.5083 0.1024-0.0126 ( 8060 PWs) bands (ev): -37.6193 -37.6193 -35.6009 -35.6009 -35.5971 -35.5971 -18.8625 -18.8625 -18.4909 -18.4909 -18.4758 -18.4758 -16.8604 -16.8604 -16.8390 -16.8390 -16.5030 -16.5030 -16.4755 -16.4755 -16.4470 -16.4470 -16.4383 -16.4383 -11.4633 -11.4633 -11.3442 -11.3442 -0.8584 -0.8584 -0.4395 -0.4395 0.4449 0.4449 0.5126 0.5126 0.7111 0.7111 0.9516 0.9516 1.0295 1.0295 4.0777 4.0777 5.6283 5.6283 6.1077 6.1077 6.1305 6.1305 6.3754 6.3754 6.8435 6.8435 6.8532 6.8532 6.9107 6.9107 k = 0.5042 0.1016 0.0236 ( 8057 PWs) bands (ev): -37.6193 -37.6193 -35.6009 -35.6009 -35.5971 -35.5971 -18.8625 -18.8625 -18.4908 -18.4908 -18.4758 -18.4758 -16.8604 -16.8604 -16.8389 -16.8389 -16.5030 -16.5030 -16.4754 -16.4754 -16.4469 -16.4469 -16.4382 -16.4382 -11.4639 -11.4639 -11.3444 -11.3444 -0.8609 -0.8609 -0.4412 -0.4412 0.4492 0.4492 0.5135 0.5135 0.7133 0.7133 0.9537 0.9537 1.0345 1.0345 4.0693 4.0693 5.6219 5.6219 6.1194 6.1194 6.1339 6.1339 6.3689 6.3689 6.8461 6.8461 6.8506 6.8506 6.9129 6.9129 k = 0.5000 0.1008 0.0598 ( 8052 PWs) bands (ev): -37.6193 -37.6193 -35.6009 -35.6009 -35.5971 -35.5971 -18.8624 -18.8624 -18.4907 -18.4907 -18.4758 -18.4758 -16.8604 -16.8604 -16.8389 -16.8389 -16.5030 -16.5030 -16.4754 -16.4754 -16.4469 -16.4469 -16.4382 -16.4382 -11.4641 -11.4641 -11.3444 -11.3444 -0.8617 -0.8617 -0.4418 -0.4418 0.4507 0.4507 0.5138 0.5138 0.7140 0.7140 0.9544 0.9544 1.0363 1.0363 4.0666 4.0666 5.6198 5.6198 6.1224 6.1224 6.1362 6.1362 6.3667 6.3667 6.8464 6.8464 6.8503 6.8503 6.9137 6.9137 k = 0.5000-1.1900-0.7057 ( 7990 PWs) bands (ev): -37.6181 -37.6181 -35.5984 -35.5984 -35.5972 -35.5972 -18.8722 -18.8722 -18.5101 -18.5101 -18.4734 -18.4734 -16.8595 -16.8595 -16.8536 -16.8536 -16.4982 -16.4982 -16.4924 -16.4924 -16.4584 -16.4584 -16.4527 -16.4527 -11.3325 -11.3325 -11.3191 -11.3191 -0.5621 -0.5621 -0.3502 -0.3502 -0.0311 -0.0311 0.3308 0.3308 0.3531 0.3531 0.6065 0.6065 0.6097 0.6097 4.0864 4.0864 5.3075 5.3075 5.8899 5.8899 5.9227 5.9227 6.9468 6.9468 7.0478 7.0478 7.3116 7.3116 7.5305 7.5305 k = 0.5324-1.1800-0.6997 ( 7990 PWs) bands (ev): -37.6181 -37.6181 -35.5984 -35.5984 -35.5972 -35.5972 -18.8722 -18.8722 -18.5101 -18.5101 -18.4734 -18.4734 -16.8595 -16.8595 -16.8536 -16.8536 -16.4982 -16.4982 -16.4924 -16.4924 -16.4584 -16.4584 -16.4527 -16.4527 -11.3325 -11.3325 -11.3191 -11.3191 -0.5625 -0.5625 -0.3497 -0.3497 -0.0310 -0.0310 0.3309 0.3309 0.3529 0.3529 0.6063 0.6063 0.6099 0.6099 4.0860 4.0860 5.3083 5.3083 5.8892 5.8892 5.9227 5.9227 6.9480 6.9480 7.0493 7.0493 7.3105 7.3105 7.5297 7.5297 k = 0.5648-1.1699-0.6937 ( 7993 PWs) bands (ev): -37.6181 -37.6181 -35.5984 -35.5984 -35.5972 -35.5972 -18.8722 -18.8722 -18.5101 -18.5101 -18.4734 -18.4734 -16.8595 -16.8595 -16.8536 -16.8536 -16.4982 -16.4982 -16.4924 -16.4924 -16.4584 -16.4584 -16.4527 -16.4527 -11.3325 -11.3325 -11.3191 -11.3191 -0.5635 -0.5635 -0.3483 -0.3483 -0.0308 -0.0308 0.3311 0.3311 0.3523 0.3523 0.6058 0.6058 0.6104 0.6104 4.0850 4.0850 5.3104 5.3104 5.8870 5.8870 5.9228 5.9228 6.9515 6.9515 7.0534 7.0534 7.3074 7.3074 7.5272 7.5272 k = 0.5973-1.1598-0.6877 ( 8000 PWs) bands (ev): -37.6181 -37.6181 -35.5984 -35.5984 -35.5972 -35.5972 -18.8722 -18.8722 -18.5101 -18.5101 -18.4734 -18.4734 -16.8595 -16.8595 -16.8537 -16.8537 -16.4982 -16.4982 -16.4924 -16.4924 -16.4584 -16.4584 -16.4527 -16.4527 -11.3325 -11.3325 -11.3191 -11.3191 -0.5651 -0.5651 -0.3462 -0.3462 -0.0304 -0.0304 0.3313 0.3313 0.3513 0.3513 0.6050 0.6050 0.6111 0.6111 4.0832 4.0832 5.3138 5.3138 5.8835 5.8835 5.9228 5.9228 6.9568 6.9568 7.0602 7.0602 7.3025 7.3025 7.5235 7.5235 k = 0.6297-1.1497-0.6818 ( 8013 PWs) bands (ev): -37.6181 -37.6181 -35.5984 -35.5984 -35.5972 -35.5972 -18.8722 -18.8722 -18.5101 -18.5101 -18.4734 -18.4734 -16.8595 -16.8595 -16.8537 -16.8537 -16.4982 -16.4982 -16.4924 -16.4924 -16.4584 -16.4584 -16.4527 -16.4527 -11.3326 -11.3326 -11.3191 -11.3191 -0.5673 -0.5673 -0.3433 -0.3433 -0.0300 -0.0300 0.3316 0.3316 0.3501 0.3501 0.6041 0.6041 0.6119 0.6119 4.0810 4.0810 5.3184 5.3184 5.8788 5.8788 5.9228 5.9228 6.9634 6.9634 7.0693 7.0693 7.2964 7.2964 7.5189 7.5189 k = 0.6621-1.1396-0.6758 ( 8013 PWs) bands (ev): -37.6181 -37.6181 -35.5984 -35.5984 -35.5972 -35.5972 -18.8722 -18.8722 -18.5101 -18.5101 -18.4734 -18.4734 -16.8595 -16.8595 -16.8537 -16.8537 -16.4982 -16.4982 -16.4924 -16.4924 -16.4584 -16.4584 -16.4527 -16.4527 -11.3326 -11.3326 -11.3191 -11.3191 -0.5698 -0.5698 -0.3398 -0.3398 -0.0295 -0.0295 0.3318 0.3318 0.3487 0.3487 0.6032 0.6032 0.6128 0.6128 4.0782 4.0782 5.3239 5.3239 5.8733 5.8733 5.9228 5.9228 6.9705 6.9705 7.0806 7.0806 7.2895 7.2895 7.5138 7.5138 k = 0.6945-1.1296-0.6698 ( 8018 PWs) bands (ev): -37.6181 -37.6181 -35.5985 -35.5985 -35.5972 -35.5972 -18.8722 -18.8722 -18.5101 -18.5101 -18.4734 -18.4734 -16.8595 -16.8595 -16.8537 -16.8537 -16.4982 -16.4982 -16.4925 -16.4925 -16.4584 -16.4584 -16.4527 -16.4527 -11.3326 -11.3326 -11.3191 -11.3191 -0.5725 -0.5725 -0.3360 -0.3360 -0.0290 -0.0290 0.3317 0.3317 0.3475 0.3475 0.6021 0.6021 0.6137 0.6137 4.0752 4.0752 5.3303 5.3303 5.8672 5.8672 5.9229 5.9229 6.9772 6.9772 7.0935 7.0935 7.2828 7.2828 7.5087 7.5087 k = 0.7269-1.1195-0.6638 ( 8014 PWs) bands (ev): -37.6181 -37.6181 -35.5985 -35.5985 -35.5972 -35.5972 -18.8722 -18.8722 -18.5101 -18.5101 -18.4734 -18.4734 -16.8595 -16.8595 -16.8537 -16.8537 -16.4982 -16.4982 -16.4925 -16.4925 -16.4584 -16.4584 -16.4527 -16.4527 -11.3326 -11.3326 -11.3191 -11.3191 -0.5754 -0.5754 -0.3318 -0.3318 -0.0286 -0.0286 0.3312 0.3312 0.3466 0.3466 0.6011 0.6011 0.6147 0.6147 4.0719 4.0719 5.3371 5.3371 5.8607 5.8607 5.9229 5.9229 6.9827 6.9827 7.1078 7.1078 7.2770 7.2770 7.5038 7.5038 k = 0.7593-1.1094-0.6579 ( 8018 PWs) bands (ev): -37.6181 -37.6181 -35.5985 -35.5985 -35.5972 -35.5972 -18.8722 -18.8722 -18.5101 -18.5101 -18.4734 -18.4734 -16.8595 -16.8595 -16.8537 -16.8537 -16.4982 -16.4982 -16.4925 -16.4925 -16.4584 -16.4584 -16.4528 -16.4528 -11.3327 -11.3327 -11.3191 -11.3191 -0.5782 -0.5782 -0.3276 -0.3276 -0.0283 -0.0283 0.3300 0.3300 0.3464 0.3464 0.6000 0.6000 0.6158 0.6158 4.0686 4.0686 5.3442 5.3442 5.8543 5.8543 5.9230 5.9230 6.9864 6.9864 7.1231 7.1231 7.2726 7.2726 7.4993 7.4993 k = 0.7918-1.0993-0.6519 ( 8019 PWs) bands (ev): -37.6181 -37.6181 -35.5985 -35.5985 -35.5972 -35.5972 -18.8722 -18.8722 -18.5101 -18.5101 -18.4734 -18.4734 -16.8595 -16.8595 -16.8538 -16.8538 -16.4982 -16.4982 -16.4925 -16.4925 -16.4584 -16.4584 -16.4527 -16.4527 -11.3327 -11.3327 -11.3191 -11.3191 -0.5809 -0.5809 -0.3233 -0.3233 -0.0282 -0.0282 0.3284 0.3284 0.3467 0.3467 0.5990 0.5990 0.6169 0.6169 4.0654 4.0654 5.3511 5.3511 5.8482 5.8482 5.9230 5.9230 6.9880 6.9880 7.1387 7.1387 7.2699 7.2699 7.4953 7.4953 k = 0.8242-1.0893-0.6459 ( 8023 PWs) bands (ev): -37.6181 -37.6181 -35.5985 -35.5985 -35.5972 -35.5972 -18.8722 -18.8722 -18.5101 -18.5101 -18.4734 -18.4734 -16.8595 -16.8595 -16.8538 -16.8538 -16.4981 -16.4981 -16.4925 -16.4925 -16.4584 -16.4584 -16.4528 -16.4528 -11.3328 -11.3328 -11.3191 -11.3191 -0.5833 -0.5833 -0.3192 -0.3192 -0.0285 -0.0285 0.3264 0.3264 0.3474 0.3474 0.5981 0.5981 0.6180 0.6180 4.0625 4.0625 5.3575 5.3575 5.8426 5.8426 5.9231 5.9231 6.9878 6.9878 7.1543 7.1543 7.2684 7.2684 7.4918 7.4918 Writing output data file Ca3SiBr2.save init_run : 0.69s CPU 1.21s WALL ( 1 calls) electrons : 1074.46s CPU 1080.51s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.16s WALL ( 1 calls) potinit : 0.12s CPU 0.18s WALL ( 1 calls) Called by electrons: c_bands : 1074.45s CPU 1080.50s WALL ( 1 calls) v_of_rho : 0.03s CPU 0.04s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.03s CPU 0.04s WALL ( 1 calls) newd : 0.11s CPU 0.15s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.12s WALL ( 259 calls) cegterg : 1011.93s CPU 1016.38s WALL ( 784 calls) Called by sum_band: Called by *egterg: h_psi : 877.81s CPU 880.99s WALL ( 14091 calls) s_psi : 12.18s CPU 12.08s WALL ( 14091 calls) g_psi : 0.62s CPU 0.69s WALL ( 13048 calls) cdiaghg : 123.24s CPU 124.59s WALL ( 13307 calls) cegterg:over : 19.05s CPU 19.14s WALL ( 13048 calls) cegterg:upda : 20.46s CPU 20.43s WALL ( 13048 calls) cegterg:last : 7.35s CPU 7.37s WALL ( 1665 calls) cdiaghg:chol : 6.97s CPU 7.15s WALL ( 13307 calls) cdiaghg:inve : 5.10s CPU 5.00s WALL ( 13307 calls) cdiaghg:para : 8.06s CPU 8.13s WALL ( 26614 calls) Called by h_psi: h_psi:vloc : 847.10s CPU 850.00s WALL ( 14091 calls) h_psi:vnl : 29.92s CPU 30.21s WALL ( 14091 calls) add_vuspsi : 14.53s CPU 14.63s WALL ( 14091 calls) General routines calbec : 15.33s CPU 15.53s WALL ( 14091 calls) fft : 0.04s CPU 0.04s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 773.35s CPU 776.64s WALL ( 1195736 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.21s CPU 0.32s WALL ( 518 calls) Parallel routines fft_scatter : 123.71s CPU 125.23s WALL ( 1195759 calls) PWSCF : 18m16.26s CPU 18m54.05s WALL This run was terminated on: 16:34:10 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=