Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14:41:38 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: ./Bi2Te2Se.save/ file Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D 5D renormalized file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P 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 154 62 18 4882 1241 194 Max 155 63 19 4884 1263 196 Sum 5575 2241 653 175801 44979 7027 bravais-lattice index = 14 lattice parameter (alat) = 19.3801 a.u. unit-cell volume = 1065.5730 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 457.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 19.380057 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.912915 celldm(5)= 0.912915 celldm(6)= 0.912915 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.912915 0.408151 0.000000 ) a(3) = ( 0.912915 0.194785 0.358672 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -2.236711 -1.330567 ) b(2) = ( 0.000000 2.450077 -1.330567 ) b(3) = ( 0.000000 0.000000 2.788061 ) PseudoPot. # 1 for Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 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 Bi read from file: /users/gautes/Pseudo/Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 2a6cbf750f457e6adc9554330ec86bb0 Pseudo is Ultrasoft + core correction, Zval = 15.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1283 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 Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Se 6.00 78.96000 Se( 1.00) Bi 15.00 208.98040 Bi( 1.00) Te 6.00 127.60000 Te( 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= 275 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 2) = ( 0.0116279 -0.0260083 -0.0154717), wk = 0.0036364 k( 3) = ( 0.0232558 -0.0520165 -0.0309434), wk = 0.0036364 k( 4) = ( 0.0348837 -0.0780248 -0.0464151), wk = 0.0036364 k( 5) = ( 0.0465116 -0.1040331 -0.0618869), wk = 0.0036364 k( 6) = ( 0.0581395 -0.1300413 -0.0773586), wk = 0.0036364 k( 7) = ( 0.0697674 -0.1560496 -0.0928303), wk = 0.0036364 k( 8) = ( 0.0813954 -0.1820579 -0.1083020), wk = 0.0036364 k( 9) = ( 0.0930233 -0.2080661 -0.1237737), wk = 0.0036364 k( 10) = ( 0.1046512 -0.2340744 -0.1392454), wk = 0.0036364 k( 11) = ( 0.1162791 -0.2600826 -0.1547171), wk = 0.0036364 k( 12) = ( 0.1279070 -0.2860909 -0.1701889), wk = 0.0036364 k( 13) = ( 0.1395349 -0.3120992 -0.1856606), wk = 0.0036364 k( 14) = ( 0.1511628 -0.3381074 -0.2011323), wk = 0.0036364 k( 15) = ( 0.1627907 -0.3641157 -0.2166040), wk = 0.0036364 k( 16) = ( 0.1744186 -0.3901240 -0.2320757), wk = 0.0036364 k( 17) = ( 0.1860465 -0.4161322 -0.2475474), wk = 0.0036364 k( 18) = ( 0.1976744 -0.4421405 -0.2630191), wk = 0.0036364 k( 19) = ( 0.2093023 -0.4681488 -0.2784908), wk = 0.0036364 k( 20) = ( 0.2209302 -0.4941570 -0.2939625), wk = 0.0036364 k( 21) = ( 0.2325581 -0.5201653 -0.3094343), wk = 0.0036364 k( 22) = ( 0.2441860 -0.5461736 -0.3249060), wk = 0.0036364 k( 23) = ( 0.2558140 -0.5721818 -0.3403777), wk = 0.0036364 k( 24) = ( 0.2674419 -0.5981901 -0.3558494), wk = 0.0036364 k( 25) = ( 0.2790698 -0.6241984 -0.3713211), wk = 0.0036364 k( 26) = ( 0.2906977 -0.6502066 -0.3867928), wk = 0.0036364 k( 27) = ( 0.3023256 -0.6762149 -0.4022645), wk = 0.0036364 k( 28) = ( 0.3139535 -0.7022231 -0.4177363), wk = 0.0036364 k( 29) = ( 0.3255814 -0.7282314 -0.4332080), wk = 0.0036364 k( 30) = ( 0.3372093 -0.7542397 -0.4486797), wk = 0.0036364 k( 31) = ( 0.3488372 -0.7802479 -0.4641514), wk = 0.0036364 k( 32) = ( 0.3604651 -0.8062562 -0.4796231), wk = 0.0036364 k( 33) = ( 0.3720930 -0.8322645 -0.4950948), wk = 0.0036364 k( 34) = ( 0.3837209 -0.8582727 -0.5105665), wk = 0.0036364 k( 35) = ( 0.3953488 -0.8842810 -0.5260383), wk = 0.0036364 k( 36) = ( 0.4069767 -0.9102892 -0.5415100), wk = 0.0036364 k( 37) = ( 0.4186047 -0.9362975 -0.5569817), wk = 0.0036364 k( 38) = ( 0.4302326 -0.9623058 -0.5724534), wk = 0.0036364 k( 39) = ( 0.4418605 -0.9883141 -0.5879251), wk = 0.0036364 k( 40) = ( 0.4534884 -1.0143223 -0.6033968), wk = 0.0036364 k( 41) = ( 0.4651163 -1.0403306 -0.6188685), wk = 0.0036364 k( 42) = ( 0.4767442 -1.0663388 -0.6343403), wk = 0.0036364 k( 43) = ( 0.4883721 -1.0923471 -0.6498120), wk = 0.0036364 k( 44) = ( 0.5000000 -1.1183554 -0.6652837), wk = 0.0036364 k( 45) = ( 0.5000000 -1.1183554 -0.6652837), wk = 0.0036364 k( 46) = ( 0.5000000 -1.1016817 -0.6933124), wk = 0.0036364 k( 47) = ( 0.5000000 -1.0850081 -0.7213411), wk = 0.0036364 k( 48) = ( 0.5000000 -1.0683345 -0.7493698), wk = 0.0036364 k( 49) = ( 0.5000000 -1.0516608 -0.7773986), wk = 0.0036364 k( 50) = ( 0.5000000 -1.0349872 -0.8054273), wk = 0.0036364 k( 51) = ( 0.5000000 -1.0183135 -0.8334560), wk = 0.0036364 k( 52) = ( 0.5000000 -1.0016399 -0.8614847), wk = 0.0036364 k( 53) = ( 0.5000000 -0.9849663 -0.8895135), wk = 0.0036364 k( 54) = ( 0.5000000 -0.9682926 -0.9175422), wk = 0.0036364 k( 55) = ( 0.5000000 -0.9516190 -0.9455709), wk = 0.0036364 k( 56) = ( 0.5000000 -0.9349453 -0.9735997), wk = 0.0036364 k( 57) = ( 0.5000000 -0.9182717 -1.0016284), wk = 0.0036364 k( 58) = ( 0.5000000 -0.9015981 -1.0296571), wk = 0.0036364 k( 59) = ( 0.5000000 -0.8849244 -1.0576858), wk = 0.0036364 k( 60) = ( 0.5000000 -0.8682508 -1.0857145), wk = 0.0036364 k( 61) = ( 0.5000000 -0.8515771 -1.1137433), wk = 0.0036364 k( 62) = ( 0.5000000 -0.8349035 -1.1417720), wk = 0.0036364 k( 63) = ( 0.5000000 -0.8182299 -1.1698007), wk = 0.0036364 k( 64) = ( 0.5000000 -0.8015562 -1.1978294), wk = 0.0036364 k( 65) = ( 0.5000000 -0.7848826 -1.2258582), wk = 0.0036364 k( 66) = ( 0.5000000 -0.7682090 -1.2538869), wk = 0.0036364 k( 67) = ( 0.5000000 -0.7515353 -1.2819156), wk = 0.0036364 k( 68) = ( 0.5000000 -0.7348617 -1.3099444), wk = 0.0036364 k( 69) = ( 0.5000000 -0.7181880 -1.3379731), wk = 0.0036364 k( 70) = ( 0.5000000 -0.7015144 -1.3660018), wk = 0.0036364 k( 71) = ( 0.5000000 -0.6848408 -1.3940305), wk = 0.0036364 k( 72) = ( 0.8230608 -0.6159106 -1.2671042), wk = 0.0036364 k( 73) = ( 0.8163304 -0.6008566 -1.2393840), wk = 0.0036364 k( 74) = ( 0.8095999 -0.5858026 -1.2116638), wk = 0.0036364 k( 75) = ( 0.8028695 -0.5707486 -1.1839437), wk = 0.0036364 k( 76) = ( 0.7961391 -0.5556945 -1.1562236), wk = 0.0036364 k( 77) = ( 0.7894086 -0.5406405 -1.1285034), wk = 0.0036364 k( 78) = ( 0.7826782 -0.5255865 -1.1007832), wk = 0.0036364 k( 79) = ( 0.7759478 -0.5105324 -1.0730631), wk = 0.0036364 k( 80) = ( 0.7692173 -0.4954784 -1.0453430), wk = 0.0036364 k( 81) = ( 0.7624869 -0.4804244 -1.0176228), wk = 0.0036364 k( 82) = ( 0.7557565 -0.4653703 -0.9899026), wk = 0.0036364 k( 83) = ( 0.7490260 -0.4503163 -0.9621825), wk = 0.0036364 k( 84) = ( 0.7422956 -0.4352623 -0.9344623), wk = 0.0036364 k( 85) = ( 0.7355652 -0.4202082 -0.9067422), wk = 0.0036364 k( 86) = ( 0.7288347 -0.4051542 -0.8790220), wk = 0.0036364 k( 87) = ( 0.7221043 -0.3901002 -0.8513019), wk = 0.0036364 k( 88) = ( 0.7153739 -0.3750461 -0.8235817), wk = 0.0036364 k( 89) = ( 0.7086434 -0.3599921 -0.7958616), wk = 0.0036364 k( 90) = ( 0.7019130 -0.3449381 -0.7681414), wk = 0.0036364 k( 91) = ( 0.6951826 -0.3298840 -0.7404213), wk = 0.0036364 k( 92) = ( 0.6884521 -0.3148300 -0.7127011), wk = 0.0036364 k( 93) = ( 0.6817217 -0.2997760 -0.6849809), wk = 0.0036364 k( 94) = ( 0.6749913 -0.2847219 -0.6572608), wk = 0.0036364 k( 95) = ( 0.6682608 -0.2696679 -0.6295407), wk = 0.0036364 k( 96) = ( 0.6615304 -0.2546139 -0.6018205), wk = 0.0036364 k( 97) = ( 0.6548000 -0.2395598 -0.5741003), wk = 0.0036364 k( 98) = ( 0.6480695 -0.2245058 -0.5463802), wk = 0.0036364 k( 99) = ( 0.6413391 -0.2094518 -0.5186601), wk = 0.0036364 k( 100) = ( 0.6346087 -0.1943977 -0.4909399), wk = 0.0036364 k( 101) = ( 0.6278782 -0.1793437 -0.4632197), wk = 0.0036364 k( 102) = ( 0.6211478 -0.1642897 -0.4354996), wk = 0.0036364 k( 103) = ( 0.6144174 -0.1492356 -0.4077794), wk = 0.0036364 k( 104) = ( 0.6076869 -0.1341816 -0.3800593), wk = 0.0036364 k( 105) = ( 0.6009565 -0.1191276 -0.3523391), wk = 0.0036364 k( 106) = ( 0.5942261 -0.1040736 -0.3246189), wk = 0.0036364 k( 107) = ( 0.5874956 -0.0890195 -0.2968988), wk = 0.0036364 k( 108) = ( 0.5807652 -0.0739655 -0.2691787), wk = 0.0036364 k( 109) = ( 0.5740348 -0.0589115 -0.2414585), wk = 0.0036364 k( 110) = ( 0.5673043 -0.0438574 -0.2137383), wk = 0.0036364 k( 111) = ( 0.5605739 -0.0288034 -0.1860182), wk = 0.0036364 k( 112) = ( 0.5538435 -0.0137494 -0.1582981), wk = 0.0036364 k( 113) = ( 0.5471130 0.0013047 -0.1305779), wk = 0.0036364 k( 114) = ( 0.5403826 0.0163587 -0.1028577), wk = 0.0036364 k( 115) = ( 0.5336522 0.0314127 -0.0751376), wk = 0.0036364 k( 116) = ( 0.5269217 0.0464668 -0.0474174), wk = 0.0036364 k( 117) = ( 0.5201913 0.0615208 -0.0196973), wk = 0.0036364 k( 118) = ( 0.5134609 0.0765748 0.0080229), wk = 0.0036364 k( 119) = ( 0.5067304 0.0916289 0.0357430), wk = 0.0036364 k( 120) = ( 0.5000000 0.1066829 0.0634632), wk = 0.0036364 k( 121) = ( 0.5000000 0.1066829 0.0634632), wk = 0.0036364 k( 122) = ( 0.4687500 0.1000152 0.0594967), wk = 0.0036364 k( 123) = ( 0.4375000 0.0933475 0.0555303), wk = 0.0036364 k( 124) = ( 0.4062500 0.0866798 0.0515638), wk = 0.0036364 k( 125) = ( 0.3750000 0.0800122 0.0475974), wk = 0.0036364 k( 126) = ( 0.3437500 0.0733445 0.0436309), wk = 0.0036364 k( 127) = ( 0.3125000 0.0666768 0.0396645), wk = 0.0036364 k( 128) = ( 0.2812500 0.0600091 0.0356980), wk = 0.0036364 k( 129) = ( 0.2500000 0.0533414 0.0317316), wk = 0.0036364 k( 130) = ( 0.2187500 0.0466738 0.0277651), wk = 0.0036364 k( 131) = ( 0.1875000 0.0400061 0.0237987), wk = 0.0036364 k( 132) = ( 0.1562500 0.0333384 0.0198322), wk = 0.0036364 k( 133) = ( 0.1250000 0.0266707 0.0158658), wk = 0.0036364 k( 134) = ( 0.0937500 0.0200030 0.0118993), wk = 0.0036364 k( 135) = ( 0.0625000 0.0133354 0.0079329), wk = 0.0036364 k( 136) = ( 0.0312500 0.0066677 0.0039664), wk = 0.0036364 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 138) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 139) = ( 0.0067694 -0.0151412 -0.0278806), wk = 0.0036364 k( 140) = ( 0.0135388 -0.0302823 -0.0557612), wk = 0.0036364 k( 141) = ( 0.0203082 -0.0454235 -0.0836418), wk = 0.0036364 k( 142) = ( 0.0270776 -0.0605647 -0.1115224), wk = 0.0036364 k( 143) = ( 0.0338470 -0.0757059 -0.1394031), wk = 0.0036364 k( 144) = ( 0.0406164 -0.0908470 -0.1672837), wk = 0.0036364 k( 145) = ( 0.0473857 -0.1059882 -0.1951643), wk = 0.0036364 k( 146) = ( 0.0541551 -0.1211294 -0.2230449), wk = 0.0036364 k( 147) = ( 0.0609245 -0.1362706 -0.2509255), wk = 0.0036364 k( 148) = ( 0.0676939 -0.1514117 -0.2788061), wk = 0.0036364 k( 149) = ( 0.0744633 -0.1665529 -0.3066867), wk = 0.0036364 k( 150) = ( 0.0812327 -0.1816941 -0.3345673), wk = 0.0036364 k( 151) = ( 0.0880021 -0.1968352 -0.3624479), wk = 0.0036364 k( 152) = ( 0.0947715 -0.2119764 -0.3903285), wk = 0.0036364 k( 153) = ( 0.1015409 -0.2271176 -0.4182092), wk = 0.0036364 k( 154) = ( 0.1083103 -0.2422587 -0.4460898), wk = 0.0036364 k( 155) = ( 0.1150797 -0.2573999 -0.4739704), wk = 0.0036364 k( 156) = ( 0.1218491 -0.2725411 -0.5018510), wk = 0.0036364 k( 157) = ( 0.1286184 -0.2876823 -0.5297316), wk = 0.0036364 k( 158) = ( 0.1353878 -0.3028234 -0.5576122), wk = 0.0036364 k( 159) = ( 0.1421572 -0.3179646 -0.5854928), wk = 0.0036364 k( 160) = ( 0.1489266 -0.3331058 -0.6133734), wk = 0.0036364 k( 161) = ( 0.1556960 -0.3482470 -0.6412540), wk = 0.0036364 k( 162) = ( 0.1624654 -0.3633881 -0.6691346), wk = 0.0036364 k( 163) = ( 0.1692348 -0.3785293 -0.6970153), wk = 0.0036364 k( 164) = ( 0.1760042 -0.3936705 -0.7248959), wk = 0.0036364 k( 165) = ( 0.1827736 -0.4088117 -0.7527765), wk = 0.0036364 k( 166) = ( 0.1895430 -0.4239528 -0.7806571), wk = 0.0036364 k( 167) = ( 0.1963124 -0.4390940 -0.8085377), wk = 0.0036364 k( 168) = ( 0.2030818 -0.4542352 -0.8364183), wk = 0.0036364 k( 169) = ( 0.2098511 -0.4693763 -0.8642989), wk = 0.0036364 k( 170) = ( 0.2166205 -0.4845175 -0.8921795), wk = 0.0036364 k( 171) = ( 0.2233899 -0.4996587 -0.9200601), wk = 0.0036364 k( 172) = ( 0.2301593 -0.5147998 -0.9479408), wk = 0.0036364 k( 173) = ( 0.2369287 -0.5299410 -0.9758214), wk = 0.0036364 k( 174) = ( 0.2436981 -0.5450822 -1.0037020), wk = 0.0036364 k( 175) = ( 0.2504675 -0.5602234 -1.0315826), wk = 0.0036364 k( 176) = ( 0.2572369 -0.5753645 -1.0594632), wk = 0.0036364 k( 177) = ( 0.2640063 -0.5905057 -1.0873438), wk = 0.0036364 k( 178) = ( 0.2707757 -0.6056469 -1.1152244), wk = 0.0036364 k( 179) = ( 0.2775451 -0.6207881 -1.1431050), wk = 0.0036364 k( 180) = ( 0.2843145 -0.6359292 -1.1709856), wk = 0.0036364 k( 181) = ( 0.2910839 -0.6510704 -1.1988662), wk = 0.0036364 k( 182) = ( 0.2978533 -0.6662116 -1.2267469), wk = 0.0036364 k( 183) = ( 0.3046226 -0.6813527 -1.2546275), wk = 0.0036364 k( 184) = ( 0.3113920 -0.6964939 -1.2825081), wk = 0.0036364 k( 185) = ( 0.3181614 -0.7116351 -1.3103887), wk = 0.0036364 k( 186) = ( 0.3249308 -0.7267763 -1.3382693), wk = 0.0036364 k( 187) = ( 0.3317002 -0.7419174 -1.3661499), wk = 0.0036364 k( 188) = ( 0.3384696 -0.7570586 -1.3940305), wk = 0.0036364 k( 189) = ( 0.6615304 -0.6503757 -1.3305673), wk = 0.0036364 k( 190) = ( 0.6548000 -0.6188316 -1.3305673), wk = 0.0036364 k( 191) = ( 0.6480695 -0.5872875 -1.3305673), wk = 0.0036364 k( 192) = ( 0.6413391 -0.5557434 -1.3305673), wk = 0.0036364 k( 193) = ( 0.6346087 -0.5241993 -1.3305673), wk = 0.0036364 k( 194) = ( 0.6278782 -0.4926552 -1.3305673), wk = 0.0036364 k( 195) = ( 0.6211478 -0.4611111 -1.3305673), wk = 0.0036364 k( 196) = ( 0.6144174 -0.4295669 -1.3305673), wk = 0.0036364 k( 197) = ( 0.6076869 -0.3980228 -1.3305673), wk = 0.0036364 k( 198) = ( 0.6009565 -0.3664787 -1.3305673), wk = 0.0036364 k( 199) = ( 0.5942261 -0.3349346 -1.3305673), wk = 0.0036364 k( 200) = ( 0.5874956 -0.3033905 -1.3305673), wk = 0.0036364 k( 201) = ( 0.5807652 -0.2718464 -1.3305673), wk = 0.0036364 k( 202) = ( 0.5740348 -0.2403023 -1.3305673), wk = 0.0036364 k( 203) = ( 0.5673043 -0.2087582 -1.3305673), wk = 0.0036364 k( 204) = ( 0.5605739 -0.1772141 -1.3305673), wk = 0.0036364 k( 205) = ( 0.5538435 -0.1456700 -1.3305673), wk = 0.0036364 k( 206) = ( 0.5471130 -0.1141259 -1.3305673), wk = 0.0036364 k( 207) = ( 0.5403826 -0.0825818 -1.3305673), wk = 0.0036364 k( 208) = ( 0.5336522 -0.0510377 -1.3305673), wk = 0.0036364 k( 209) = ( 0.5269217 -0.0194935 -1.3305673), wk = 0.0036364 k( 210) = ( 0.5201913 0.0120506 -1.3305673), wk = 0.0036364 k( 211) = ( 0.5134609 0.0435947 -1.3305673), wk = 0.0036364 k( 212) = ( 0.5067304 0.0751388 -1.3305673), wk = 0.0036364 k( 213) = ( 0.5000000 0.1066829 -1.3305673), wk = 0.0036364 k( 214) = ( 0.5000000 0.1066829 -1.3305673), wk = 0.0036364 k( 215) = ( 0.5269217 0.1124271 -1.3199901), wk = 0.0036364 k( 216) = ( 0.5538435 0.1181712 -1.3094130), wk = 0.0036364 k( 217) = ( 0.5807652 0.1239154 -1.2988358), wk = 0.0036364 k( 218) = ( 0.6076869 0.1296596 -1.2882586), wk = 0.0036364 k( 219) = ( 0.6346087 0.1354038 -1.2776814), wk = 0.0036364 k( 220) = ( 0.6615304 0.1411479 -1.2671042), wk = 0.0036364 k( 221) = ( 0.6615304 0.1411479 -1.2671042), wk = 0.0036364 k( 222) = ( 0.6576844 0.1403273 -1.2354240), wk = 0.0036364 k( 223) = ( 0.6538385 0.1395068 -1.2037438), wk = 0.0036364 k( 224) = ( 0.6499925 0.1386862 -1.1720636), wk = 0.0036364 k( 225) = ( 0.6461465 0.1378656 -1.1403835), wk = 0.0036364 k( 226) = ( 0.6423006 0.1370450 -1.1087033), wk = 0.0036364 k( 227) = ( 0.6384546 0.1362244 -1.0770231), wk = 0.0036364 k( 228) = ( 0.6346087 0.1354038 -1.0453429), wk = 0.0036364 k( 229) = ( 0.6307627 0.1345832 -1.0136628), wk = 0.0036364 k( 230) = ( 0.6269167 0.1337626 -0.9819826), wk = 0.0036364 k( 231) = ( 0.6230708 0.1329420 -0.9503024), wk = 0.0036364 k( 232) = ( 0.6192248 0.1321214 -0.9186223), wk = 0.0036364 k( 233) = ( 0.6153789 0.1313008 -0.8869421), wk = 0.0036364 k( 234) = ( 0.6115329 0.1304802 -0.8552619), wk = 0.0036364 k( 235) = ( 0.6076869 0.1296596 -0.8235817), wk = 0.0036364 k( 236) = ( 0.6038410 0.1288390 -0.7919016), wk = 0.0036364 k( 237) = ( 0.5999950 0.1280184 -0.7602214), wk = 0.0036364 k( 238) = ( 0.5961490 0.1271978 -0.7285412), wk = 0.0036364 k( 239) = ( 0.5923031 0.1263772 -0.6968610), wk = 0.0036364 k( 240) = ( 0.5884571 0.1255566 -0.6651808), wk = 0.0036364 k( 241) = ( 0.5846112 0.1247360 -0.6335007), wk = 0.0036364 k( 242) = ( 0.5807652 0.1239154 -0.6018205), wk = 0.0036364 k( 243) = ( 0.5769192 0.1230948 -0.5701403), wk = 0.0036364 k( 244) = ( 0.5730733 0.1222742 -0.5384601), wk = 0.0036364 k( 245) = ( 0.5692273 0.1214536 -0.5067800), wk = 0.0036364 k( 246) = ( 0.5653814 0.1206330 -0.4750998), wk = 0.0036364 k( 247) = ( 0.5615354 0.1198124 -0.4434196), wk = 0.0036364 k( 248) = ( 0.5576894 0.1189918 -0.4117394), wk = 0.0036364 k( 249) = ( 0.5538435 0.1181712 -0.3800593), wk = 0.0036364 k( 250) = ( 0.5499975 0.1173506 -0.3483791), wk = 0.0036364 k( 251) = ( 0.5461515 0.1165300 -0.3166989), wk = 0.0036364 k( 252) = ( 0.5423056 0.1157095 -0.2850187), wk = 0.0036364 k( 253) = ( 0.5384596 0.1148889 -0.2533386), wk = 0.0036364 k( 254) = ( 0.5346137 0.1140683 -0.2216584), wk = 0.0036364 k( 255) = ( 0.5307677 0.1132477 -0.1899782), wk = 0.0036364 k( 256) = ( 0.5269217 0.1124271 -0.1582981), wk = 0.0036364 k( 257) = ( 0.5230758 0.1116065 -0.1266179), wk = 0.0036364 k( 258) = ( 0.5192298 0.1107859 -0.0949377), wk = 0.0036364 k( 259) = ( 0.5153838 0.1099653 -0.0632575), wk = 0.0036364 k( 260) = ( 0.5115379 0.1091447 -0.0315774), wk = 0.0036364 k( 261) = ( 0.5076919 0.1083241 0.0001028), wk = 0.0036364 k( 262) = ( 0.5038460 0.1075035 0.0317830), wk = 0.0036364 k( 263) = ( 0.5000000 0.1066829 0.0634632), wk = 0.0036364 k( 264) = ( 0.5000000 -1.1183554 -0.6652837), wk = 0.0036364 k( 265) = ( 0.5293692 -1.1086569 -0.6595143), wk = 0.0036364 k( 266) = ( 0.5587383 -1.0989585 -0.6537449), wk = 0.0036364 k( 267) = ( 0.5881075 -1.0892600 -0.6479755), wk = 0.0036364 k( 268) = ( 0.6174766 -1.0795616 -0.6422061), wk = 0.0036364 k( 269) = ( 0.6468458 -1.0698631 -0.6364368), wk = 0.0036364 k( 270) = ( 0.6762150 -1.0601647 -0.6306674), wk = 0.0036364 k( 271) = ( 0.7055841 -1.0504663 -0.6248980), wk = 0.0036364 k( 272) = ( 0.7349533 -1.0407678 -0.6191286), wk = 0.0036364 k( 273) = ( 0.7643225 -1.0310694 -0.6133593), wk = 0.0036364 k( 274) = ( 0.7936916 -1.0213709 -0.6075899), wk = 0.0036364 k( 275) = ( 0.8230608 -1.0116725 -0.6018205), wk = 0.0036364 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 2) = ( 0.0116279 -0.0000000 -0.0000000), wk = 0.0036364 k( 3) = ( 0.0232558 0.0000000 0.0000000), wk = 0.0036364 k( 4) = ( 0.0348837 -0.0000000 -0.0000000), wk = 0.0036364 k( 5) = ( 0.0465116 -0.0000000 -0.0000000), wk = 0.0036364 k( 6) = ( 0.0581395 0.0000000 -0.0000000), wk = 0.0036364 k( 7) = ( 0.0697674 -0.0000000 -0.0000000), wk = 0.0036364 k( 8) = ( 0.0813954 -0.0000000 0.0000000), wk = 0.0036364 k( 9) = ( 0.0930233 -0.0000000 -0.0000000), wk = 0.0036364 k( 10) = ( 0.1046512 -0.0000000 -0.0000000), wk = 0.0036364 k( 11) = ( 0.1162791 0.0000000 -0.0000000), wk = 0.0036364 k( 12) = ( 0.1279070 0.0000000 0.0000000), wk = 0.0036364 k( 13) = ( 0.1395349 -0.0000000 -0.0000000), wk = 0.0036364 k( 14) = ( 0.1511628 -0.0000000 0.0000000), wk = 0.0036364 k( 15) = ( 0.1627907 -0.0000000 0.0000000), wk = 0.0036364 k( 16) = ( 0.1744186 -0.0000000 -0.0000000), wk = 0.0036364 k( 17) = ( 0.1860465 0.0000000 -0.0000000), wk = 0.0036364 k( 18) = ( 0.1976744 0.0000000 -0.0000000), wk = 0.0036364 k( 19) = ( 0.2093023 0.0000000 -0.0000000), wk = 0.0036364 k( 20) = ( 0.2209302 0.0000000 0.0000000), wk = 0.0036364 k( 21) = ( 0.2325581 0.0000000 -0.0000000), wk = 0.0036364 k( 22) = ( 0.2441860 0.0000000 0.0000000), wk = 0.0036364 k( 23) = ( 0.2558140 -0.0000000 -0.0000000), wk = 0.0036364 k( 24) = ( 0.2674419 0.0000000 -0.0000000), wk = 0.0036364 k( 25) = ( 0.2790698 -0.0000000 -0.0000000), wk = 0.0036364 k( 26) = ( 0.2906977 -0.0000000 -0.0000000), wk = 0.0036364 k( 27) = ( 0.3023256 -0.0000000 0.0000000), wk = 0.0036364 k( 28) = ( 0.3139535 0.0000000 -0.0000000), wk = 0.0036364 k( 29) = ( 0.3255814 -0.0000000 0.0000000), wk = 0.0036364 k( 30) = ( 0.3372093 0.0000000 0.0000000), wk = 0.0036364 k( 31) = ( 0.3488372 0.0000000 -0.0000000), wk = 0.0036364 k( 32) = ( 0.3604651 -0.0000000 -0.0000000), wk = 0.0036364 k( 33) = ( 0.3720930 0.0000000 -0.0000000), wk = 0.0036364 k( 34) = ( 0.3837209 -0.0000000 0.0000000), wk = 0.0036364 k( 35) = ( 0.3953488 0.0000000 -0.0000000), wk = 0.0036364 k( 36) = ( 0.4069767 0.0000000 0.0000000), wk = 0.0036364 k( 37) = ( 0.4186047 0.0000000 -0.0000000), wk = 0.0036364 k( 38) = ( 0.4302326 -0.0000000 -0.0000000), wk = 0.0036364 k( 39) = ( 0.4418605 -0.0000000 -0.0000000), wk = 0.0036364 k( 40) = ( 0.4534884 0.0000000 0.0000000), wk = 0.0036364 k( 41) = ( 0.4651163 0.0000000 -0.0000000), wk = 0.0036364 k( 42) = ( 0.4767442 -0.0000000 -0.0000000), wk = 0.0036364 k( 43) = ( 0.4883721 -0.0000000 -0.0000000), wk = 0.0036364 k( 44) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0036364 k( 45) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0036364 k( 46) = ( 0.5000000 0.0068053 -0.0068054), wk = 0.0036364 k( 47) = ( 0.5000000 0.0136107 -0.0136107), wk = 0.0036364 k( 48) = ( 0.5000000 0.0204161 -0.0204161), wk = 0.0036364 k( 49) = ( 0.5000000 0.0272214 -0.0272214), wk = 0.0036364 k( 50) = ( 0.5000000 0.0340268 -0.0340268), wk = 0.0036364 k( 51) = ( 0.5000000 0.0408321 -0.0408321), wk = 0.0036364 k( 52) = ( 0.5000000 0.0476375 -0.0476375), wk = 0.0036364 k( 53) = ( 0.5000000 0.0544428 -0.0544428), wk = 0.0036364 k( 54) = ( 0.5000000 0.0612482 -0.0612482), wk = 0.0036364 k( 55) = ( 0.5000000 0.0680535 -0.0680535), wk = 0.0036364 k( 56) = ( 0.5000000 0.0748589 -0.0748589), wk = 0.0036364 k( 57) = ( 0.5000000 0.0816642 -0.0816643), wk = 0.0036364 k( 58) = ( 0.5000000 0.0884696 -0.0884696), wk = 0.0036364 k( 59) = ( 0.5000000 0.0952750 -0.0952750), wk = 0.0036364 k( 60) = ( 0.5000000 0.1020803 -0.1020803), wk = 0.0036364 k( 61) = ( 0.5000000 0.1088857 -0.1088857), wk = 0.0036364 k( 62) = ( 0.5000000 0.1156910 -0.1156910), wk = 0.0036364 k( 63) = ( 0.5000000 0.1224964 -0.1224964), wk = 0.0036364 k( 64) = ( 0.5000000 0.1293017 -0.1293017), wk = 0.0036364 k( 65) = ( 0.5000000 0.1361071 -0.1361071), wk = 0.0036364 k( 66) = ( 0.5000000 0.1429124 -0.1429124), wk = 0.0036364 k( 67) = ( 0.5000000 0.1497178 -0.1497178), wk = 0.0036364 k( 68) = ( 0.5000000 0.1565231 -0.1565231), wk = 0.0036364 k( 69) = ( 0.5000000 0.1633285 -0.1633285), wk = 0.0036364 k( 70) = ( 0.5000000 0.1701339 -0.1701339), wk = 0.0036364 k( 71) = ( 0.5000000 0.1769392 -0.1769392), wk = 0.0036364 k( 72) = ( 0.8230608 0.5000000 0.1769392), wk = 0.0036364 k( 73) = ( 0.8163304 0.5000000 0.1836696), wk = 0.0036364 k( 74) = ( 0.8095999 0.5000000 0.1904001), wk = 0.0036364 k( 75) = ( 0.8028695 0.5000000 0.1971305), wk = 0.0036364 k( 76) = ( 0.7961391 0.5000000 0.2038609), wk = 0.0036364 k( 77) = ( 0.7894086 0.5000000 0.2105914), wk = 0.0036364 k( 78) = ( 0.7826782 0.5000000 0.2173218), wk = 0.0036364 k( 79) = ( 0.7759478 0.5000000 0.2240522), wk = 0.0036364 k( 80) = ( 0.7692173 0.5000000 0.2307827), wk = 0.0036364 k( 81) = ( 0.7624869 0.5000000 0.2375131), wk = 0.0036364 k( 82) = ( 0.7557565 0.5000000 0.2442435), wk = 0.0036364 k( 83) = ( 0.7490260 0.5000000 0.2509740), wk = 0.0036364 k( 84) = ( 0.7422956 0.5000000 0.2577044), wk = 0.0036364 k( 85) = ( 0.7355652 0.5000000 0.2644348), wk = 0.0036364 k( 86) = ( 0.7288347 0.5000000 0.2711653), wk = 0.0036364 k( 87) = ( 0.7221043 0.5000000 0.2778957), wk = 0.0036364 k( 88) = ( 0.7153739 0.5000000 0.2846261), wk = 0.0036364 k( 89) = ( 0.7086434 0.5000000 0.2913566), wk = 0.0036364 k( 90) = ( 0.7019130 0.5000000 0.2980870), wk = 0.0036364 k( 91) = ( 0.6951826 0.5000000 0.3048174), wk = 0.0036364 k( 92) = ( 0.6884521 0.5000000 0.3115479), wk = 0.0036364 k( 93) = ( 0.6817217 0.5000000 0.3182783), wk = 0.0036364 k( 94) = ( 0.6749913 0.5000000 0.3250087), wk = 0.0036364 k( 95) = ( 0.6682608 0.5000000 0.3317392), wk = 0.0036364 k( 96) = ( 0.6615304 0.5000000 0.3384696), wk = 0.0036364 k( 97) = ( 0.6548000 0.5000000 0.3452000), wk = 0.0036364 k( 98) = ( 0.6480695 0.5000000 0.3519305), wk = 0.0036364 k( 99) = ( 0.6413391 0.5000000 0.3586609), wk = 0.0036364 k( 100) = ( 0.6346087 0.5000000 0.3653913), wk = 0.0036364 k( 101) = ( 0.6278782 0.5000000 0.3721218), wk = 0.0036364 k( 102) = ( 0.6211478 0.5000000 0.3788522), wk = 0.0036364 k( 103) = ( 0.6144174 0.5000000 0.3855826), wk = 0.0036364 k( 104) = ( 0.6076869 0.5000000 0.3923131), wk = 0.0036364 k( 105) = ( 0.6009565 0.5000000 0.3990435), wk = 0.0036364 k( 106) = ( 0.5942261 0.5000000 0.4057739), wk = 0.0036364 k( 107) = ( 0.5874956 0.5000000 0.4125044), wk = 0.0036364 k( 108) = ( 0.5807652 0.5000000 0.4192348), wk = 0.0036364 k( 109) = ( 0.5740348 0.5000000 0.4259652), wk = 0.0036364 k( 110) = ( 0.5673043 0.5000000 0.4326957), wk = 0.0036364 k( 111) = ( 0.5605739 0.5000000 0.4394261), wk = 0.0036364 k( 112) = ( 0.5538435 0.5000000 0.4461565), wk = 0.0036364 k( 113) = ( 0.5471130 0.5000000 0.4528870), wk = 0.0036364 k( 114) = ( 0.5403826 0.5000000 0.4596174), wk = 0.0036364 k( 115) = ( 0.5336522 0.5000000 0.4663478), wk = 0.0036364 k( 116) = ( 0.5269217 0.5000000 0.4730783), wk = 0.0036364 k( 117) = ( 0.5201913 0.5000000 0.4798087), wk = 0.0036364 k( 118) = ( 0.5134609 0.5000000 0.4865391), wk = 0.0036364 k( 119) = ( 0.5067304 0.5000000 0.4932696), wk = 0.0036364 k( 120) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036364 k( 121) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036364 k( 122) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0036364 k( 123) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0036364 k( 124) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0036364 k( 125) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0036364 k( 126) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0036364 k( 127) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0036364 k( 128) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0036364 k( 129) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036364 k( 130) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0036364 k( 131) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0036364 k( 132) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0036364 k( 133) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0036364 k( 134) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0036364 k( 135) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0036364 k( 136) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0036364 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 138) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 139) = ( 0.0067694 -0.0000000 -0.0067694), wk = 0.0036364 k( 140) = ( 0.0135388 -0.0000000 -0.0135388), wk = 0.0036364 k( 141) = ( 0.0203082 -0.0000000 -0.0203082), wk = 0.0036364 k( 142) = ( 0.0270776 -0.0000000 -0.0270776), wk = 0.0036364 k( 143) = ( 0.0338470 0.0000000 -0.0338470), wk = 0.0036364 k( 144) = ( 0.0406164 -0.0000000 -0.0406164), wk = 0.0036364 k( 145) = ( 0.0473857 -0.0000000 -0.0473857), wk = 0.0036364 k( 146) = ( 0.0541551 -0.0000000 -0.0541551), wk = 0.0036364 k( 147) = ( 0.0609245 -0.0000000 -0.0609245), wk = 0.0036364 k( 148) = ( 0.0676939 0.0000000 -0.0676939), wk = 0.0036364 k( 149) = ( 0.0744633 -0.0000000 -0.0744633), wk = 0.0036364 k( 150) = ( 0.0812327 -0.0000000 -0.0812327), wk = 0.0036364 k( 151) = ( 0.0880021 0.0000000 -0.0880021), wk = 0.0036364 k( 152) = ( 0.0947715 -0.0000000 -0.0947715), wk = 0.0036364 k( 153) = ( 0.1015409 -0.0000000 -0.1015409), wk = 0.0036364 k( 154) = ( 0.1083103 0.0000000 -0.1083103), wk = 0.0036364 k( 155) = ( 0.1150797 0.0000000 -0.1150797), wk = 0.0036364 k( 156) = ( 0.1218491 -0.0000000 -0.1218491), wk = 0.0036364 k( 157) = ( 0.1286184 -0.0000000 -0.1286184), wk = 0.0036364 k( 158) = ( 0.1353878 0.0000000 -0.1353878), wk = 0.0036364 k( 159) = ( 0.1421572 0.0000000 -0.1421572), wk = 0.0036364 k( 160) = ( 0.1489266 -0.0000000 -0.1489266), wk = 0.0036364 k( 161) = ( 0.1556960 0.0000000 -0.1556960), wk = 0.0036364 k( 162) = ( 0.1624654 -0.0000000 -0.1624654), wk = 0.0036364 k( 163) = ( 0.1692348 0.0000000 -0.1692348), wk = 0.0036364 k( 164) = ( 0.1760042 0.0000000 -0.1760042), wk = 0.0036364 k( 165) = ( 0.1827736 -0.0000000 -0.1827736), wk = 0.0036364 k( 166) = ( 0.1895430 -0.0000000 -0.1895430), wk = 0.0036364 k( 167) = ( 0.1963124 -0.0000000 -0.1963124), wk = 0.0036364 k( 168) = ( 0.2030818 -0.0000000 -0.2030818), wk = 0.0036364 k( 169) = ( 0.2098511 0.0000000 -0.2098512), wk = 0.0036364 k( 170) = ( 0.2166205 0.0000000 -0.2166205), wk = 0.0036364 k( 171) = ( 0.2233899 -0.0000000 -0.2233899), wk = 0.0036364 k( 172) = ( 0.2301593 0.0000000 -0.2301593), wk = 0.0036364 k( 173) = ( 0.2369287 -0.0000000 -0.2369287), wk = 0.0036364 k( 174) = ( 0.2436981 -0.0000000 -0.2436981), wk = 0.0036364 k( 175) = ( 0.2504675 -0.0000000 -0.2504675), wk = 0.0036364 k( 176) = ( 0.2572369 -0.0000000 -0.2572369), wk = 0.0036364 k( 177) = ( 0.2640063 -0.0000000 -0.2640063), wk = 0.0036364 k( 178) = ( 0.2707757 0.0000000 -0.2707757), wk = 0.0036364 k( 179) = ( 0.2775451 0.0000000 -0.2775451), wk = 0.0036364 k( 180) = ( 0.2843145 -0.0000000 -0.2843145), wk = 0.0036364 k( 181) = ( 0.2910839 -0.0000000 -0.2910839), wk = 0.0036364 k( 182) = ( 0.2978533 -0.0000000 -0.2978532), wk = 0.0036364 k( 183) = ( 0.3046226 -0.0000000 -0.3046226), wk = 0.0036364 k( 184) = ( 0.3113920 0.0000000 -0.3113920), wk = 0.0036364 k( 185) = ( 0.3181614 -0.0000000 -0.3181614), wk = 0.0036364 k( 186) = ( 0.3249308 -0.0000000 -0.3249308), wk = 0.0036364 k( 187) = ( 0.3317002 -0.0000000 -0.3317002), wk = 0.0036364 k( 188) = ( 0.3384696 0.0000000 -0.3384696), wk = 0.0036364 k( 189) = ( 0.6615304 0.3384696 -0.0000000), wk = 0.0036364 k( 190) = ( 0.6548000 0.3452000 -0.0000000), wk = 0.0036364 k( 191) = ( 0.6480695 0.3519305 -0.0000000), wk = 0.0036364 k( 192) = ( 0.6413391 0.3586609 0.0000000), wk = 0.0036364 k( 193) = ( 0.6346087 0.3653913 0.0000000), wk = 0.0036364 k( 194) = ( 0.6278782 0.3721218 -0.0000000), wk = 0.0036364 k( 195) = ( 0.6211478 0.3788522 -0.0000000), wk = 0.0036364 k( 196) = ( 0.6144174 0.3855826 -0.0000000), wk = 0.0036364 k( 197) = ( 0.6076869 0.3923131 -0.0000000), wk = 0.0036364 k( 198) = ( 0.6009565 0.3990435 -0.0000000), wk = 0.0036364 k( 199) = ( 0.5942261 0.4057739 -0.0000000), wk = 0.0036364 k( 200) = ( 0.5874956 0.4125044 -0.0000000), wk = 0.0036364 k( 201) = ( 0.5807652 0.4192348 -0.0000000), wk = 0.0036364 k( 202) = ( 0.5740348 0.4259652 -0.0000000), wk = 0.0036364 k( 203) = ( 0.5673043 0.4326957 -0.0000000), wk = 0.0036364 k( 204) = ( 0.5605739 0.4394261 -0.0000000), wk = 0.0036364 k( 205) = ( 0.5538435 0.4461565 0.0000000), wk = 0.0036364 k( 206) = ( 0.5471130 0.4528870 -0.0000000), wk = 0.0036364 k( 207) = ( 0.5403826 0.4596174 -0.0000000), wk = 0.0036364 k( 208) = ( 0.5336522 0.4663478 0.0000000), wk = 0.0036364 k( 209) = ( 0.5269217 0.4730783 -0.0000000), wk = 0.0036364 k( 210) = ( 0.5201913 0.4798087 -0.0000000), wk = 0.0036364 k( 211) = ( 0.5134609 0.4865391 0.0000000), wk = 0.0036364 k( 212) = ( 0.5067304 0.4932696 0.0000000), wk = 0.0036364 k( 213) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036364 k( 214) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036364 k( 215) = ( 0.5269217 0.5269217 0.0294899), wk = 0.0036364 k( 216) = ( 0.5538435 0.5538435 0.0589797), wk = 0.0036364 k( 217) = ( 0.5807652 0.5807652 0.0884696), wk = 0.0036364 k( 218) = ( 0.6076869 0.6076869 0.1179595), wk = 0.0036364 k( 219) = ( 0.6346087 0.6346087 0.1474493), wk = 0.0036364 k( 220) = ( 0.6615304 0.6615304 0.1769392), wk = 0.0036364 k( 221) = ( 0.6615304 0.6615304 0.1769392), wk = 0.0036364 k( 222) = ( 0.6576844 0.6576844 0.1846311), wk = 0.0036364 k( 223) = ( 0.6538385 0.6538385 0.1923231), wk = 0.0036364 k( 224) = ( 0.6499925 0.6499925 0.2000150), wk = 0.0036364 k( 225) = ( 0.6461465 0.6461466 0.2077069), wk = 0.0036364 k( 226) = ( 0.6423006 0.6423006 0.2153988), wk = 0.0036364 k( 227) = ( 0.6384546 0.6384546 0.2230907), wk = 0.0036364 k( 228) = ( 0.6346087 0.6346087 0.2307827), wk = 0.0036364 k( 229) = ( 0.6307627 0.6307627 0.2384746), wk = 0.0036364 k( 230) = ( 0.6269167 0.6269167 0.2461665), wk = 0.0036364 k( 231) = ( 0.6230708 0.6230708 0.2538584), wk = 0.0036364 k( 232) = ( 0.6192248 0.6192248 0.2615504), wk = 0.0036364 k( 233) = ( 0.6153789 0.6153789 0.2692423), wk = 0.0036364 k( 234) = ( 0.6115329 0.6115329 0.2769342), wk = 0.0036364 k( 235) = ( 0.6076869 0.6076869 0.2846261), wk = 0.0036364 k( 236) = ( 0.6038410 0.6038410 0.2923181), wk = 0.0036364 k( 237) = ( 0.5999950 0.5999950 0.3000100), wk = 0.0036364 k( 238) = ( 0.5961490 0.5961490 0.3077019), wk = 0.0036364 k( 239) = ( 0.5923031 0.5923031 0.3153938), wk = 0.0036364 k( 240) = ( 0.5884571 0.5884571 0.3230858), wk = 0.0036364 k( 241) = ( 0.5846112 0.5846112 0.3307777), wk = 0.0036364 k( 242) = ( 0.5807652 0.5807652 0.3384696), wk = 0.0036364 k( 243) = ( 0.5769192 0.5769192 0.3461615), wk = 0.0036364 k( 244) = ( 0.5730733 0.5730733 0.3538535), wk = 0.0036364 k( 245) = ( 0.5692273 0.5692273 0.3615454), wk = 0.0036364 k( 246) = ( 0.5653814 0.5653814 0.3692373), wk = 0.0036364 k( 247) = ( 0.5615354 0.5615354 0.3769292), wk = 0.0036364 k( 248) = ( 0.5576894 0.5576894 0.3846212), wk = 0.0036364 k( 249) = ( 0.5538435 0.5538435 0.3923131), wk = 0.0036364 k( 250) = ( 0.5499975 0.5499975 0.4000050), wk = 0.0036364 k( 251) = ( 0.5461515 0.5461515 0.4076969), wk = 0.0036364 k( 252) = ( 0.5423056 0.5423056 0.4153888), wk = 0.0036364 k( 253) = ( 0.5384596 0.5384596 0.4230808), wk = 0.0036364 k( 254) = ( 0.5346137 0.5346137 0.4307727), wk = 0.0036364 k( 255) = ( 0.5307677 0.5307677 0.4384646), wk = 0.0036364 k( 256) = ( 0.5269217 0.5269217 0.4461565), wk = 0.0036364 k( 257) = ( 0.5230758 0.5230758 0.4538485), wk = 0.0036364 k( 258) = ( 0.5192298 0.5192298 0.4615404), wk = 0.0036364 k( 259) = ( 0.5153838 0.5153838 0.4692323), wk = 0.0036364 k( 260) = ( 0.5115379 0.5115379 0.4769242), wk = 0.0036364 k( 261) = ( 0.5076919 0.5076919 0.4846161), wk = 0.0036364 k( 262) = ( 0.5038460 0.5038460 0.4923081), wk = 0.0036364 k( 263) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036364 k( 264) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0036364 k( 265) = ( 0.5293692 0.0307700 0.0307700), wk = 0.0036364 k( 266) = ( 0.5587383 0.0615399 0.0615399), wk = 0.0036364 k( 267) = ( 0.5881075 0.0923099 0.0923099), wk = 0.0036364 k( 268) = ( 0.6174766 0.1230799 0.1230799), wk = 0.0036364 k( 269) = ( 0.6468458 0.1538498 0.1538498), wk = 0.0036364 k( 270) = ( 0.6762150 0.1846198 0.1846198), wk = 0.0036364 k( 271) = ( 0.7055841 0.2153897 0.2153897), wk = 0.0036364 k( 272) = ( 0.7349533 0.2461597 0.2461597), wk = 0.0036364 k( 273) = ( 0.7643225 0.2769297 0.2769297), wk = 0.0036364 k( 274) = ( 0.7936916 0.3076996 0.3076996), wk = 0.0036364 k( 275) = ( 0.8230608 0.3384696 0.3384696), wk = 0.0036364 Dense grid: 175801 G-vectors FFT dimensions: ( 135, 135, 135) Smooth grid: 44979 G-vectors FFT dimensions: ( 90, 90, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.29 Mb ( 328, 58) NL pseudopotentials 0.38 Mb ( 164, 150) Each V/rho on FFT grid 1.11 Mb ( 72900) Each G-vector array 0.04 Mb ( 4884) G-vector shells 0.03 Mb ( 3971) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.16 Mb ( 328, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.27 Mb ( 150, 2, 58) The potential is recalculated from file : ./Bi2Te2Se.save/charge-density.dat Starting wfc are 60 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.6 secs Computing kpt #: 2 total cpu time spent up to now is 7.6 secs Computing kpt #: 3 total cpu time spent up to now is 9.6 secs Computing kpt #: 4 total cpu time spent up to now is 11.7 secs Computing kpt #: 5 total cpu time spent up to now is 13.4 secs Computing kpt #: 6 total cpu time spent up to now is 15.2 secs Computing kpt #: 7 total cpu time spent up to now is 17.0 secs Computing kpt #: 8 total cpu time spent up to now is 18.8 secs Computing kpt #: 9 total cpu time spent up to now is 20.6 secs Computing kpt #: 10 total cpu time spent up to now is 22.4 secs Computing kpt #: 11 total cpu time spent up to now is 24.2 secs Computing kpt #: 12 total cpu time spent up to now is 26.0 secs Computing kpt #: 13 total cpu time spent up to now is 27.8 secs Computing kpt #: 14 total cpu time spent up to now is 29.6 secs Computing kpt #: 15 total cpu time spent up to now is 31.3 secs Computing kpt #: 16 total cpu time spent up to now is 33.1 secs Computing kpt #: 17 total cpu time spent up to now is 34.8 secs Computing kpt #: 18 total cpu time spent up to now is 36.6 secs Computing kpt #: 19 total cpu time spent up to now is 38.3 secs Computing kpt #: 20 total cpu time spent up to now is 40.5 secs Computing kpt #: 21 total cpu time spent up to now is 42.2 secs Computing kpt #: 22 total cpu time spent up to now is 44.0 secs Computing kpt #: 23 total cpu time spent up to now is 45.7 secs Computing kpt #: 24 total cpu time spent up to now is 47.4 secs Computing kpt #: 25 total cpu time spent up to now is 49.3 secs Computing kpt #: 26 total cpu time spent up to now is 51.0 secs Computing kpt #: 27 total cpu time spent up to now is 52.7 secs Computing kpt #: 28 total cpu time spent up to now is 54.4 secs Computing kpt #: 29 total cpu time spent up to now is 56.1 secs Computing kpt #: 30 total cpu time spent up to now is 57.8 secs Computing kpt #: 31 total cpu time spent up to now is 59.5 secs Computing kpt #: 32 total cpu time spent up to now is 61.2 secs Computing kpt #: 33 total cpu time spent up to now is 62.9 secs Computing kpt #: 34 total cpu time spent up to now is 64.6 secs Computing kpt #: 35 total cpu time spent up to now is 66.3 secs Computing kpt #: 36 total cpu time spent up to now is 68.0 secs Computing kpt #: 37 total cpu time spent up to now is 69.8 secs Computing kpt #: 38 total cpu time spent up to now is 71.5 secs Computing kpt #: 39 total cpu time spent up to now is 73.2 secs Computing kpt #: 40 total cpu time spent up to now is 74.9 secs Computing kpt #: 41 total cpu time spent up to now is 76.6 secs Computing kpt #: 42 total cpu time spent up to now is 78.3 secs Computing kpt #: 43 total cpu time spent up to now is 80.1 secs Computing kpt #: 44 total cpu time spent up to now is 81.8 secs Computing kpt #: 45 total cpu time spent up to now is 83.5 secs Computing kpt #: 46 total cpu time spent up to now is 85.2 secs Computing kpt #: 47 total cpu time spent up to now is 86.9 secs Computing kpt #: 48 total cpu time spent up to now is 88.6 secs Computing kpt #: 49 total cpu time spent up to now is 90.4 secs Computing kpt #: 50 total cpu time spent up to now is 92.1 secs Computing kpt #: 51 total cpu time spent up to now is 93.8 secs Computing kpt #: 52 total cpu time spent up to now is 95.5 secs Computing kpt #: 53 total cpu time spent up to now is 97.3 secs Computing kpt #: 54 total cpu time spent up to now is 99.0 secs Computing kpt #: 55 total cpu time spent up to now is 100.7 secs Computing kpt #: 56 total cpu time spent up to now is 102.4 secs Computing kpt #: 57 total cpu time spent up to now is 104.1 secs Computing kpt #: 58 total cpu time spent up to now is 105.9 secs Computing kpt #: 59 total cpu time spent up to now is 107.6 secs Computing kpt #: 60 total cpu time spent up to now is 109.3 secs Computing kpt #: 61 total cpu time spent up to now is 111.1 secs Computing kpt #: 62 total cpu time spent up to now is 112.8 secs Computing kpt #: 63 total cpu time spent up to now is 114.6 secs Computing kpt #: 64 total cpu time spent up to now is 116.3 secs Computing kpt #: 65 total cpu time spent up to now is 118.1 secs Computing kpt #: 66 total cpu time spent up to now is 119.8 secs Computing kpt #: 67 total cpu time spent up to now is 121.5 secs Computing kpt #: 68 total cpu time spent up to now is 123.2 secs Computing kpt #: 69 total cpu time spent up to now is 125.0 secs Computing kpt #: 70 total cpu time spent up to now is 126.7 secs Computing kpt #: 71 total cpu time spent up to now is 128.4 secs Computing kpt #: 72 total cpu time spent up to now is 130.1 secs Computing kpt #: 73 total cpu time spent up to now is 131.8 secs Computing kpt #: 74 total cpu time spent up to now is 133.5 secs Computing kpt #: 75 total cpu time spent up to now is 135.1 secs Computing kpt #: 76 total cpu time spent up to now is 136.8 secs Computing kpt #: 77 total cpu time spent up to now is 138.5 secs Computing kpt #: 78 total cpu time spent up to now is 140.1 secs Computing kpt #: 79 total cpu time spent up to now is 141.8 secs Computing kpt #: 80 total cpu time spent up to now is 143.5 secs Computing kpt #: 81 total cpu time spent up to now is 145.1 secs Computing kpt #: 82 total cpu time spent up to now is 146.8 secs Computing kpt #: 83 total cpu time spent up to now is 148.5 secs Computing kpt #: 84 total cpu time spent up to now is 150.1 secs Computing kpt #: 85 total cpu time spent up to now is 151.8 secs Computing kpt #: 86 total cpu time spent up to now is 153.4 secs Computing kpt #: 87 total cpu time spent up to now is 155.1 secs Computing kpt #: 88 total cpu time spent up to now is 156.8 secs Computing kpt #: 89 total cpu time spent up to now is 158.4 secs Computing kpt #: 90 total cpu time spent up to now is 160.1 secs Computing kpt #: 91 total cpu time spent up to now is 161.8 secs Computing kpt #: 92 total cpu time spent up to now is 163.5 secs Computing kpt #: 93 total cpu time spent up to now is 165.2 secs Computing kpt #: 94 total cpu time spent up to now is 166.9 secs Computing kpt #: 95 total cpu time spent up to now is 168.7 secs Computing kpt #: 96 total cpu time spent up to now is 170.4 secs Computing kpt #: 97 total cpu time spent up to now is 172.2 secs Computing kpt #: 98 total cpu time spent up to now is 174.0 secs Computing kpt #: 99 total cpu time spent up to now is 175.8 secs Computing kpt #: 100 total cpu time spent up to now is 177.6 secs Computing kpt #: 101 total cpu time spent up to now is 179.4 secs Computing kpt #: 102 total cpu time spent up to now is 181.2 secs Computing kpt #: 103 total cpu time spent up to now is 183.0 secs Computing kpt #: 104 total cpu time spent up to now is 184.8 secs Computing kpt #: 105 total cpu time spent up to now is 186.6 secs Computing kpt #: 106 total cpu time spent up to now is 188.4 secs Computing kpt #: 107 total cpu time spent up to now is 190.2 secs Computing kpt #: 108 total cpu time spent up to now is 192.0 secs Computing kpt #: 109 total cpu time spent up to now is 193.8 secs Computing kpt #: 110 total cpu time spent up to now is 195.6 secs Computing kpt #: 111 total cpu time spent up to now is 197.4 secs Computing kpt #: 112 total cpu time spent up to now is 199.3 secs Computing kpt #: 113 total cpu time spent up to now is 201.1 secs Computing kpt #: 114 total cpu time spent up to now is 203.0 secs Computing kpt #: 115 total cpu time spent up to now is 204.8 secs Computing kpt #: 116 total cpu time spent up to now is 206.7 secs Computing kpt #: 117 total cpu time spent up to now is 208.6 secs Computing kpt #: 118 total cpu time spent up to now is 210.5 secs Computing kpt #: 119 total cpu time spent up to now is 212.3 secs Computing kpt #: 120 total cpu time spent up to now is 214.1 secs Computing kpt #: 121 total cpu time spent up to now is 215.9 secs Computing kpt #: 122 total cpu time spent up to now is 217.6 secs Computing kpt #: 123 total cpu time spent up to now is 219.4 secs Computing kpt #: 124 total cpu time spent up to now is 221.3 secs Computing kpt #: 125 total cpu time spent up to now is 223.1 secs Computing kpt #: 126 total cpu time spent up to now is 225.2 secs Computing kpt #: 127 total cpu time spent up to now is 227.0 secs Computing kpt #: 128 total cpu time spent up to now is 228.8 secs Computing kpt #: 129 total cpu time spent up to now is 230.9 secs Computing kpt #: 130 total cpu time spent up to now is 233.0 secs Computing kpt #: 131 total cpu time spent up to now is 235.0 secs Computing kpt #: 132 total cpu time spent up to now is 236.7 secs Computing kpt #: 133 total cpu time spent up to now is 238.8 secs Computing kpt #: 134 total cpu time spent up to now is 240.8 secs Computing kpt #: 135 total cpu time spent up to now is 242.8 secs Computing kpt #: 136 total cpu time spent up to now is 244.9 secs Computing kpt #: 137 total cpu time spent up to now is 246.9 secs Computing kpt #: 138 total cpu time spent up to now is 248.9 secs Computing kpt #: 139 total cpu time spent up to now is 250.9 secs Computing kpt #: 140 total cpu time spent up to now is 252.6 secs Computing kpt #: 141 total cpu time spent up to now is 254.7 secs Computing kpt #: 142 total cpu time spent up to now is 256.4 secs Computing kpt #: 143 total cpu time spent up to now is 258.2 secs Computing kpt #: 144 total cpu time spent up to now is 260.0 secs Computing kpt #: 145 total cpu time spent up to now is 261.8 secs Computing kpt #: 146 total cpu time spent up to now is 263.6 secs Computing kpt #: 147 total cpu time spent up to now is 265.3 secs Computing kpt #: 148 total cpu time spent up to now is 267.1 secs Computing kpt #: 149 total cpu time spent up to now is 268.8 secs Computing kpt #: 150 total cpu time spent up to now is 270.6 secs Computing kpt #: 151 total cpu time spent up to now is 272.3 secs Computing kpt #: 152 total cpu time spent up to now is 274.1 secs Computing kpt #: 153 total cpu time spent up to now is 275.8 secs Computing kpt #: 154 total cpu time spent up to now is 277.6 secs Computing kpt #: 155 total cpu time spent up to now is 279.3 secs Computing kpt #: 156 total cpu time spent up to now is 281.1 secs Computing kpt #: 157 total cpu time spent up to now is 282.9 secs Computing kpt #: 158 total cpu time spent up to now is 284.6 secs Computing kpt #: 159 total cpu time spent up to now is 286.4 secs Computing kpt #: 160 total cpu time spent up to now is 288.2 secs Computing kpt #: 161 total cpu time spent up to now is 289.9 secs Computing kpt #: 162 total cpu time spent up to now is 291.7 secs Computing kpt #: 163 total cpu time spent up to now is 293.4 secs Computing kpt #: 164 total cpu time spent up to now is 295.1 secs Computing kpt #: 165 total cpu time spent up to now is 296.9 secs Computing kpt #: 166 total cpu time spent up to now is 298.6 secs Computing kpt #: 167 total cpu time spent up to now is 300.3 secs Computing kpt #: 168 total cpu time spent up to now is 302.0 secs Computing kpt #: 169 total cpu time spent up to now is 303.7 secs Computing kpt #: 170 total cpu time spent up to now is 305.4 secs Computing kpt #: 171 total cpu time spent up to now is 307.1 secs Computing kpt #: 172 total cpu time spent up to now is 308.8 secs Computing kpt #: 173 total cpu time spent up to now is 310.6 secs Computing kpt #: 174 total cpu time spent up to now is 312.3 secs Computing kpt #: 175 total cpu time spent up to now is 314.1 secs Computing kpt #: 176 total cpu time spent up to now is 316.1 secs Computing kpt #: 177 total cpu time spent up to now is 318.2 secs Computing kpt #: 178 total cpu time spent up to now is 319.9 secs Computing kpt #: 179 total cpu time spent up to now is 321.7 secs Computing kpt #: 180 total cpu time spent up to now is 323.4 secs Computing kpt #: 181 total cpu time spent up to now is 325.1 secs Computing kpt #: 182 total cpu time spent up to now is 326.8 secs Computing kpt #: 183 total cpu time spent up to now is 328.5 secs Computing kpt #: 184 total cpu time spent up to now is 330.2 secs Computing kpt #: 185 total cpu time spent up to now is 331.9 secs Computing kpt #: 186 total cpu time spent up to now is 333.6 secs Computing kpt #: 187 total cpu time spent up to now is 335.3 secs Computing kpt #: 188 total cpu time spent up to now is 337.0 secs Computing kpt #: 189 total cpu time spent up to now is 338.7 secs Computing kpt #: 190 total cpu time spent up to now is 340.9 secs Computing kpt #: 191 total cpu time spent up to now is 342.6 secs Computing kpt #: 192 total cpu time spent up to now is 344.3 secs Computing kpt #: 193 total cpu time spent up to now is 346.0 secs Computing kpt #: 194 total cpu time spent up to now is 347.6 secs Computing kpt #: 195 total cpu time spent up to now is 349.3 secs Computing kpt #: 196 total cpu time spent up to now is 351.0 secs Computing kpt #: 197 total cpu time spent up to now is 352.6 secs Computing kpt #: 198 total cpu time spent up to now is 354.3 secs Computing kpt #: 199 total cpu time spent up to now is 356.0 secs Computing kpt #: 200 total cpu time spent up to now is 357.7 secs Computing kpt #: 201 total cpu time spent up to now is 359.4 secs Computing kpt #: 202 total cpu time spent up to now is 361.1 secs Computing kpt #: 203 total cpu time spent up to now is 362.8 secs Computing kpt #: 204 total cpu time spent up to now is 364.5 secs Computing kpt #: 205 total cpu time spent up to now is 366.2 secs Computing kpt #: 206 total cpu time spent up to now is 367.9 secs Computing kpt #: 207 total cpu time spent up to now is 369.6 secs Computing kpt #: 208 total cpu time spent up to now is 371.3 secs Computing kpt #: 209 total cpu time spent up to now is 373.0 secs Computing kpt #: 210 total cpu time spent up to now is 374.7 secs Computing kpt #: 211 total cpu time spent up to now is 376.4 secs Computing kpt #: 212 total cpu time spent up to now is 378.0 secs Computing kpt #: 213 total cpu time spent up to now is 379.7 secs Computing kpt #: 214 total cpu time spent up to now is 381.3 secs Computing kpt #: 215 total cpu time spent up to now is 383.0 secs Computing kpt #: 216 total cpu time spent up to now is 384.7 secs Computing kpt #: 217 total cpu time spent up to now is 386.4 secs Computing kpt #: 218 total cpu time spent up to now is 388.1 secs Computing kpt #: 219 total cpu time spent up to now is 389.8 secs Computing kpt #: 220 total cpu time spent up to now is 391.5 secs Computing kpt #: 221 total cpu time spent up to now is 393.1 secs Computing kpt #: 222 total cpu time spent up to now is 394.8 secs Computing kpt #: 223 total cpu time spent up to now is 396.5 secs Computing kpt #: 224 total cpu time spent up to now is 398.2 secs Computing kpt #: 225 total cpu time spent up to now is 399.9 secs Computing kpt #: 226 total cpu time spent up to now is 401.6 secs Computing kpt #: 227 total cpu time spent up to now is 403.2 secs Computing kpt #: 228 total cpu time spent up to now is 404.9 secs Computing kpt #: 229 total cpu time spent up to now is 406.6 secs Computing kpt #: 230 total cpu time spent up to now is 408.3 secs Computing kpt #: 231 total cpu time spent up to now is 410.0 secs Computing kpt #: 232 total cpu time spent up to now is 411.7 secs Computing kpt #: 233 total cpu time spent up to now is 413.4 secs Computing kpt #: 234 total cpu time spent up to now is 415.1 secs Computing kpt #: 235 total cpu time spent up to now is 416.9 secs Computing kpt #: 236 total cpu time spent up to now is 418.6 secs Computing kpt #: 237 total cpu time spent up to now is 420.4 secs Computing kpt #: 238 total cpu time spent up to now is 422.2 secs Computing kpt #: 239 total cpu time spent up to now is 423.9 secs Computing kpt #: 240 total cpu time spent up to now is 425.8 secs Computing kpt #: 241 total cpu time spent up to now is 427.6 secs Computing kpt #: 242 total cpu time spent up to now is 429.3 secs Computing kpt #: 243 total cpu time spent up to now is 431.1 secs Computing kpt #: 244 total cpu time spent up to now is 432.9 secs Computing kpt #: 245 total cpu time spent up to now is 434.6 secs Computing kpt #: 246 total cpu time spent up to now is 436.4 secs Computing kpt #: 247 total cpu time spent up to now is 438.1 secs Computing kpt #: 248 total cpu time spent up to now is 439.9 secs Computing kpt #: 249 total cpu time spent up to now is 441.7 secs Computing kpt #: 250 total cpu time spent up to now is 443.5 secs Computing kpt #: 251 total cpu time spent up to now is 445.3 secs Computing kpt #: 252 total cpu time spent up to now is 447.1 secs Computing kpt #: 253 total cpu time spent up to now is 448.9 secs Computing kpt #: 254 total cpu time spent up to now is 450.7 secs Computing kpt #: 255 total cpu time spent up to now is 452.6 secs Computing kpt #: 256 total cpu time spent up to now is 454.4 secs Computing kpt #: 257 total cpu time spent up to now is 456.3 secs Computing kpt #: 258 total cpu time spent up to now is 458.2 secs Computing kpt #: 259 total cpu time spent up to now is 460.1 secs Computing kpt #: 260 total cpu time spent up to now is 462.0 secs Computing kpt #: 261 total cpu time spent up to now is 463.9 secs Computing kpt #: 262 total cpu time spent up to now is 465.7 secs Computing kpt #: 263 total cpu time spent up to now is 467.5 secs Computing kpt #: 264 total cpu time spent up to now is 469.2 secs Computing kpt #: 265 total cpu time spent up to now is 470.9 secs Computing kpt #: 266 total cpu time spent up to now is 472.6 secs Computing kpt #: 267 total cpu time spent up to now is 474.3 secs Computing kpt #: 268 total cpu time spent up to now is 476.0 secs Computing kpt #: 269 total cpu time spent up to now is 477.7 secs Computing kpt #: 270 total cpu time spent up to now is 479.4 secs Computing kpt #: 271 total cpu time spent up to now is 481.1 secs Computing kpt #: 272 total cpu time spent up to now is 482.8 secs Computing kpt #: 273 total cpu time spent up to now is 484.4 secs Computing kpt #: 274 total cpu time spent up to now is 486.1 secs Computing kpt #: 275 total cpu time spent up to now is 487.8 secs ethr = 2.08E-08, avg # of iterations = 18.7 total cpu time spent up to now is 487.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5639 PWs) bands (ev): -16.6310 -16.6310 -16.6309 -16.6309 -16.6226 -16.6226 -16.6207 -16.6207 -13.6603 -13.6603 -13.6581 -13.6581 -13.6458 -13.6458 -13.6435 -13.6435 -13.6430 -13.6430 -13.6394 -13.6394 -5.9539 -5.9539 -4.7690 -4.7690 -4.2280 -4.2280 -0.8073 -0.8073 -0.7437 -0.7437 5.1200 5.1200 5.2030 5.2030 6.1597 6.1597 6.2010 6.2010 6.2141 6.2141 6.5928 6.5928 6.7617 6.7617 7.2843 7.2843 7.4142 7.4142 8.1599 8.1599 8.8967 8.8967 8.9005 8.9005 9.4804 9.4804 10.5448 10.5448 k = 0.0116-0.0260-0.0155 ( 5618 PWs) bands (ev): -16.6310 -16.6310 -16.6309 -16.6309 -16.6226 -16.6226 -16.6207 -16.6207 -13.6602 -13.6602 -13.6581 -13.6581 -13.6458 -13.6458 -13.6435 -13.6435 -13.6429 -13.6429 -13.6394 -13.6394 -5.9528 -5.9528 -4.7679 -4.7679 -4.2271 -4.2271 -0.8094 -0.8094 -0.7434 -0.7434 5.1080 5.1080 5.2036 5.2036 6.1266 6.1266 6.2021 6.2021 6.2472 6.2472 6.5813 6.5813 6.7681 6.7681 7.2325 7.2325 7.4581 7.4581 8.1581 8.1581 8.8848 8.8848 8.9234 8.9234 9.4916 9.4916 10.5458 10.5458 k = 0.0233-0.0520-0.0309 ( 5612 PWs) bands (ev): -16.6309 -16.6309 -16.6309 -16.6309 -16.6226 -16.6226 -16.6207 -16.6207 -13.6602 -13.6602 -13.6581 -13.6581 -13.6458 -13.6458 -13.6436 -13.6436 -13.6429 -13.6429 -13.6394 -13.6394 -5.9494 -5.9494 -4.7646 -4.7646 -4.2246 -4.2246 -0.8153 -0.8153 -0.7429 -0.7429 5.0771 5.0771 5.2004 5.2004 6.0787 6.0787 6.2002 6.2002 6.2990 6.2990 6.5499 6.5499 6.7852 6.7852 7.1434 7.1434 7.5220 7.5220 8.1565 8.1565 8.8748 8.8748 8.9648 8.9648 9.5242 9.5242 10.5486 10.5486 k = 0.0349-0.0780-0.0464 ( 5608 PWs) bands (ev): -16.6309 -16.6309 -16.6308 -16.6308 -16.6226 -16.6226 -16.6207 -16.6207 -13.6602 -13.6602 -13.6580 -13.6580 -13.6459 -13.6459 -13.6437 -13.6437 -13.6428 -13.6428 -13.6393 -13.6393 -5.9438 -5.9438 -4.7591 -4.7591 -4.2203 -4.2203 -0.8248 -0.8248 -0.7425 -0.7425 5.0345 5.0345 5.1873 5.1873 6.0309 6.0309 6.1985 6.1985 6.3456 6.3456 6.5076 6.5076 6.8087 6.8087 7.0514 7.0514 7.5675 7.5675 8.1646 8.1646 8.8644 8.8644 9.0239 9.0239 9.5763 9.5763 10.5532 10.5532 k = 0.0465-0.1040-0.0619 ( 5616 PWs) bands (ev): -16.6309 -16.6309 -16.6308 -16.6308 -16.6226 -16.6226 -16.6207 -16.6207 -13.6601 -13.6601 -13.6580 -13.6580 -13.6459 -13.6459 -13.6438 -13.6438 -13.6427 -13.6427 -13.6393 -13.6393 -5.9359 -5.9359 -4.7515 -4.7515 -4.2144 -4.2144 -0.8374 -0.8374 -0.7427 -0.7427 4.9843 4.9843 5.1619 5.1619 5.9827 5.9827 6.1980 6.1980 6.3567 6.3567 6.4840 6.4840 6.8345 6.8345 6.9664 6.9664 7.5834 7.5834 8.1919 8.1919 8.8521 8.8521 9.0977 9.0977 9.6449 9.6449 10.5590 10.5590 k = 0.0581-0.1300-0.0774 ( 5613 PWs) bands (ev): -16.6309 -16.6309 -16.6308 -16.6308 -16.6226 -16.6226 -16.6208 -16.6208 -13.6600 -13.6600 -13.6579 -13.6579 -13.6460 -13.6460 -13.6440 -13.6440 -13.6426 -13.6426 -13.6392 -13.6392 -5.9259 -5.9259 -4.7417 -4.7417 -4.2068 -4.2068 -0.8528 -0.8528 -0.7438 -0.7438 4.9291 4.9291 5.1244 5.1244 5.9324 5.9324 6.1970 6.1970 6.3054 6.3054 6.5081 6.5081 6.8438 6.8438 6.9107 6.9107 7.5685 7.5685 8.2414 8.2414 8.8376 8.8376 9.1829 9.1829 9.7267 9.7267 10.5653 10.5653 k = 0.0698-0.1560-0.0928 ( 5615 PWs) bands (ev): -16.6308 -16.6308 -16.6307 -16.6307 -16.6226 -16.6226 -16.6208 -16.6208 -13.6599 -13.6599 -13.6578 -13.6578 -13.6461 -13.6461 -13.6441 -13.6441 -13.6425 -13.6425 -13.6392 -13.6392 -5.9136 -5.9136 -4.7298 -4.7298 -4.1975 -4.1975 -0.8709 -0.8709 -0.7461 -0.7461 4.8705 4.8705 5.0761 5.0761 5.8781 5.8781 6.1743 6.1743 6.2474 6.2474 6.5415 6.5415 6.8024 6.8024 6.9243 6.9243 7.5295 7.5295 8.3085 8.3085 8.8206 8.8206 9.2763 9.2763 9.8184 9.8184 10.5710 10.5710 k = 0.0814-0.1821-0.1083 ( 5621 PWs) bands (ev): -16.6307 -16.6307 -16.6306 -16.6306 -16.6226 -16.6226 -16.6208 -16.6208 -13.6598 -13.6598 -13.6577 -13.6577 -13.6462 -13.6462 -13.6443 -13.6443 -13.6423 -13.6423 -13.6391 -13.6391 -5.8991 -5.8991 -4.7157 -4.7157 -4.1866 -4.1866 -0.8916 -0.8916 -0.7497 -0.7497 4.8098 4.8098 5.0188 5.0188 5.8174 5.8174 6.0958 6.0958 6.2358 6.2358 6.5559 6.5559 6.7690 6.7690 6.9595 6.9595 7.4753 7.4753 8.3865 8.3865 8.8012 8.8012 9.3748 9.3748 9.9160 9.9160 10.5743 10.5743 k = 0.0930-0.2081-0.1238 ( 5613 PWs) bands (ev): -16.6307 -16.6307 -16.6306 -16.6306 -16.6226 -16.6226 -16.6208 -16.6208 -13.6597 -13.6597 -13.6575 -13.6575 -13.6463 -13.6463 -13.6445 -13.6445 -13.6422 -13.6422 -13.6390 -13.6390 -5.8825 -5.8825 -4.6996 -4.6996 -4.1741 -4.1741 -0.9149 -0.9149 -0.7549 -0.7549 4.7479 4.7479 4.9542 4.9542 5.7471 5.7471 6.0014 6.0014 6.2361 6.2361 6.5401 6.5401 6.7675 6.7675 6.9996 6.9996 7.4130 7.4130 8.4697 8.4697 8.7800 8.7800 9.4760 9.4760 10.0147 10.0147 10.5735 10.5735 k = 0.1047-0.2341-0.1392 ( 5618 PWs) bands (ev): -16.6306 -16.6306 -16.6305 -16.6305 -16.6226 -16.6226 -16.6208 -16.6208 -13.6596 -13.6596 -13.6574 -13.6574 -13.6465 -13.6465 -13.6447 -13.6447 -13.6420 -13.6420 -13.6389 -13.6389 -5.8636 -5.8636 -4.6814 -4.6814 -4.1600 -4.1600 -0.9408 -0.9408 -0.7615 -0.7615 4.6859 4.6859 4.8840 4.8840 5.6643 5.6643 5.9110 5.9110 6.2298 6.2298 6.5096 6.5096 6.7847 6.7847 7.0425 7.0425 7.3486 7.3486 8.5527 8.5527 8.7592 8.7592 9.5772 9.5772 10.1075 10.1075 10.5697 10.5697 k = 0.1163-0.2601-0.1547 ( 5617 PWs) bands (ev): -16.6305 -16.6305 -16.6304 -16.6304 -16.6226 -16.6226 -16.6209 -16.6209 -13.6595 -13.6595 -13.6573 -13.6573 -13.6466 -13.6466 -13.6449 -13.6449 -13.6419 -13.6419 -13.6388 -13.6388 -5.8427 -5.8427 -4.6611 -4.6611 -4.1443 -4.1443 -0.9693 -0.9693 -0.7699 -0.7699 4.6242 4.6242 4.8094 4.8094 5.5678 5.5678 5.8303 5.8303 6.2085 6.2085 6.4843 6.4843 6.8021 6.8021 7.0870 7.0870 7.2871 7.2871 8.6241 8.6241 8.7484 8.7484 9.6760 9.6760 10.1846 10.1846 10.5697 10.5697 k = 0.1279-0.2861-0.1702 ( 5619 PWs) bands (ev): -16.6304 -16.6304 -16.6303 -16.6303 -16.6226 -16.6226 -16.6209 -16.6209 -13.6593 -13.6593 -13.6571 -13.6571 -13.6467 -13.6467 -13.6451 -13.6451 -13.6417 -13.6417 -13.6386 -13.6386 -5.8196 -5.8196 -4.6389 -4.6389 -4.1270 -4.1270 -1.0005 -1.0005 -0.7800 -0.7800 4.5636 4.5636 4.7312 4.7312 5.4607 5.4607 5.7593 5.7593 6.1693 6.1693 6.4724 6.4724 6.8093 6.8093 7.1314 7.1314 7.2344 7.2344 8.6506 8.6506 8.7801 8.7801 9.7692 9.7692 10.2355 10.2355 10.5821 10.5821 k = 0.1395-0.3121-0.1857 ( 5619 PWs) bands (ev): -16.6303 -16.6303 -16.6302 -16.6302 -16.6226 -16.6226 -16.6209 -16.6209 -13.6592 -13.6592 -13.6570 -13.6570 -13.6469 -13.6469 -13.6453 -13.6453 -13.6415 -13.6415 -13.6385 -13.6385 -5.7944 -5.7944 -4.6147 -4.6147 -4.1083 -4.1083 -1.0343 -1.0343 -0.7920 -0.7920 4.5043 4.5043 4.6501 4.6501 5.3478 5.3478 5.6954 5.6954 6.1158 6.1158 6.4716 6.4716 6.8005 6.8005 7.1680 7.1680 7.2014 7.2014 8.6349 8.6349 8.8514 8.8514 9.8527 9.8527 10.2601 10.2601 10.6073 10.6073 k = 0.1512-0.3381-0.2011 ( 5616 PWs) bands (ev): -16.6302 -16.6302 -16.6301 -16.6301 -16.6226 -16.6226 -16.6210 -16.6210 -13.6591 -13.6591 -13.6569 -13.6569 -13.6470 -13.6470 -13.6455 -13.6455 -13.6414 -13.6414 -13.6383 -13.6383 -5.7672 -5.7672 -4.5887 -4.5887 -4.0881 -4.0881 -1.0708 -1.0708 -0.8060 -0.8060 4.4465 4.4465 4.5668 4.5668 5.2333 5.2333 5.6362 5.6362 6.0536 6.0536 6.4757 6.4757 6.7747 6.7747 7.1599 7.1599 7.2250 7.2250 8.6087 8.6087 8.9306 8.9306 9.9209 9.9209 10.2710 10.2710 10.6383 10.6383 k = 0.1628-0.3641-0.2166 ( 5614 PWs) bands (ev): -16.6301 -16.6301 -16.6300 -16.6300 -16.6226 -16.6226 -16.6210 -16.6210 -13.6590 -13.6590 -13.6567 -13.6567 -13.6472 -13.6472 -13.6457 -13.6457 -13.6412 -13.6412 -13.6382 -13.6382 -5.7380 -5.7380 -4.5608 -4.5608 -4.0665 -4.0665 -1.1101 -1.1101 -0.8220 -0.8220 4.3898 4.3898 4.4823 4.4823 5.1204 5.1204 5.5800 5.5800 5.9866 5.9866 6.4786 6.4786 6.7368 6.7368 7.1469 7.1469 7.2613 7.2613 8.5812 8.5812 9.0088 9.0088 9.9680 9.9680 10.2828 10.2828 10.6722 10.6722 k = 0.1744-0.3901-0.2321 ( 5615 PWs) bands (ev): -16.6300 -16.6300 -16.6299 -16.6299 -16.6226 -16.6226 -16.6210 -16.6210 -13.6589 -13.6589 -13.6566 -13.6566 -13.6473 -13.6473 -13.6459 -13.6459 -13.6409 -13.6409 -13.6380 -13.6380 -5.7068 -5.7068 -4.5312 -4.5312 -4.0434 -4.0434 -1.1520 -1.1520 -0.8402 -0.8402 4.3313 4.3313 4.3996 4.3996 5.0114 5.0114 5.5261 5.5261 5.9175 5.9175 6.4736 6.4736 6.6964 6.6964 7.1395 7.1395 7.2931 7.2931 8.5560 8.5560 9.0832 9.0832 9.9924 9.9924 10.3017 10.3017 10.7112 10.7112 k = 0.1860-0.4161-0.2475 ( 5614 PWs) bands (ev): -16.6299 -16.6299 -16.6298 -16.6298 -16.6226 -16.6226 -16.6211 -16.6211 -13.6588 -13.6588 -13.6565 -13.6565 -13.6474 -13.6474 -13.6461 -13.6461 -13.6407 -13.6407 -13.6378 -13.6378 -5.6737 -5.6737 -4.4999 -4.4999 -4.0191 -4.0191 -1.1965 -1.1965 -0.8607 -0.8607 4.2626 4.2626 4.3277 4.3277 4.9079 4.9079 5.4740 5.4740 5.8477 5.8477 6.4527 6.4527 6.6647 6.6647 7.1335 7.1335 7.3185 7.3185 8.5349 8.5349 9.1519 9.1519 9.9999 9.9999 10.3241 10.3241 10.7581 10.7581 k = 0.1977-0.4421-0.2630 ( 5616 PWs) bands (ev): -16.6298 -16.6298 -16.6296 -16.6296 -16.6226 -16.6226 -16.6211 -16.6211 -13.6588 -13.6588 -13.6565 -13.6565 -13.6475 -13.6475 -13.6463 -13.6463 -13.6405 -13.6405 -13.6375 -13.6375 -5.6388 -5.6388 -4.4670 -4.4670 -3.9934 -3.9934 -1.2436 -1.2436 -0.8835 -0.8835 4.1778 4.1778 4.2728 4.2728 4.8109 4.8109 5.4233 5.4233 5.7780 5.7780 6.4119 6.4119 6.6482 6.6482 7.1251 7.1251 7.3372 7.3372 8.5194 8.5194 9.2138 9.2138 9.9992 9.9992 10.3439 10.3439 10.8139 10.8139 k = 0.2093-0.4681-0.2785 ( 5607 PWs) bands (ev): -16.6297 -16.6297 -16.6295 -16.6295 -16.6226 -16.6226 -16.6211 -16.6211 -13.6588 -13.6588 -13.6564 -13.6564 -13.6476 -13.6476 -13.6464 -13.6464 -13.6402 -13.6402 -13.6373 -13.6373 -5.6021 -5.6021 -4.4326 -4.4326 -3.9665 -3.9665 -1.2932 -1.2932 -0.9087 -0.9087 4.0836 4.0836 4.2287 4.2287 4.7212 4.7212 5.3738 5.3738 5.7093 5.7093 6.3558 6.3558 6.6440 6.6440 7.1113 7.1113 7.3498 7.3498 8.5099 8.5099 9.2680 9.2680 9.9965 9.9965 10.3584 10.3584 10.8772 10.8772 k = 0.2209-0.4942-0.2940 ( 5610 PWs) bands (ev): -16.6296 -16.6296 -16.6294 -16.6294 -16.6226 -16.6226 -16.6212 -16.6212 -13.6588 -13.6588 -13.6564 -13.6564 -13.6477 -13.6477 -13.6465 -13.6465 -13.6400 -13.6400 -13.6371 -13.6371 -5.5636 -5.5636 -4.3969 -4.3969 -3.9384 -3.9384 -1.3451 -1.3451 -0.9365 -0.9365 3.9850 3.9850 4.1911 4.1911 4.6390 4.6390 5.3256 5.3256 5.6418 5.6418 6.2911 6.2911 6.6462 6.6462 7.0896 7.0896 7.3580 7.3580 8.5062 8.5062 9.3144 9.3144 9.9950 9.9950 10.3686 10.3686 10.9445 10.9445 k = 0.2326-0.5202-0.3094 ( 5620 PWs) bands (ev): -16.6295 -16.6295 -16.6293 -16.6293 -16.6226 -16.6226 -16.6212 -16.6212 -13.6588 -13.6588 -13.6564 -13.6564 -13.6478 -13.6478 -13.6466 -13.6466 -13.6397 -13.6397 -13.6368 -13.6368 -5.5236 -5.5236 -4.3599 -4.3599 -3.9091 -3.9091 -1.3992 -1.3992 -0.9668 -0.9668 3.8841 3.8841 4.1587 4.1587 4.5642 4.5642 5.2783 5.2783 5.5761 5.5761 6.2225 6.2225 6.6504 6.6504 7.0589 7.0589 7.3635 7.3635 8.5072 8.5072 9.3535 9.3535 9.9954 9.9954 10.3771 10.3771 11.0123 11.0123 k = 0.2442-0.5462-0.3249 ( 5618 PWs) bands (ev): -16.6294 -16.6294 -16.6292 -16.6292 -16.6226 -16.6226 -16.6213 -16.6213 -13.6588 -13.6588 -13.6565 -13.6565 -13.6479 -13.6479 -13.6466 -13.6466 -13.6395 -13.6395 -13.6365 -13.6365 -5.4820 -5.4820 -4.3218 -4.3218 -3.8788 -3.8788 -1.4553 -1.4553 -0.9998 -0.9998 3.7824 3.7824 4.1311 4.1311 4.4966 4.4966 5.2321 5.2321 5.5124 5.5124 6.1524 6.1524 6.6542 6.6542 7.0193 7.0193 7.3680 7.3680 8.5111 8.5111 9.3868 9.3868 9.9967 9.9967 10.3868 10.3868 11.0772 11.0772 k = 0.2558-0.5722-0.3404 ( 5617 PWs) bands (ev): -16.6292 -16.6292 -16.6290 -16.6290 -16.6225 -16.6225 -16.6213 -16.6213 -13.6589 -13.6589 -13.6566 -13.6566 -13.6479 -13.6479 -13.6467 -13.6467 -13.6392 -13.6392 -13.6362 -13.6362 -5.4389 -5.4389 -4.2827 -4.2827 -3.8474 -3.8474 -1.5132 -1.5132 -1.0355 -1.0355 3.6807 3.6807 4.1081 4.1081 4.4358 4.4358 5.1866 5.1866 5.4512 5.4512 6.0824 6.0824 6.6552 6.6552 6.9725 6.9725 7.3725 7.3725 8.5162 8.5162 9.4163 9.4163 9.9972 9.9972 10.3997 10.3997 11.1362 11.1362 k = 0.2674-0.5982-0.3558 ( 5613 PWs) bands (ev): -16.6291 -16.6291 -16.6289 -16.6289 -16.6225 -16.6225 -16.6213 -16.6213 -13.6590 -13.6590 -13.6567 -13.6567 -13.6480 -13.6480 -13.6467 -13.6467 -13.6389 -13.6389 -13.6359 -13.6359 -5.3946 -5.3946 -4.2428 -4.2428 -3.8151 -3.8151 -1.5726 -1.5726 -1.0738 -1.0738 3.5799 3.5799 4.0898 4.0898 4.3815 4.3815 5.1418 5.1418 5.3927 5.3927 6.0133 6.0133 6.6508 6.6508 6.9220 6.9220 7.3773 7.3773 8.5206 8.5206 9.4440 9.4440 9.9955 9.9955 10.4170 10.4170 11.1873 11.1873 k = 0.2791-0.6242-0.3713 ( 5609 PWs) bands (ev): -16.6290 -16.6290 -16.6288 -16.6288 -16.6225 -16.6225 -16.6214 -16.6214 -13.6592 -13.6592 -13.6568 -13.6568 -13.6480 -13.6480 -13.6466 -13.6466 -13.6386 -13.6386 -13.6356 -13.6356 -5.3490 -5.3490 -4.2023 -4.2023 -3.7819 -3.7819 -1.6332 -1.6332 -1.1147 -1.1147 3.4809 3.4809 4.0760 4.0760 4.3332 4.3332 5.0975 5.0975 5.3372 5.3372 5.9455 5.9455 6.6365 6.6365 6.8733 6.8733 7.3826 7.3826 8.5227 8.5227 9.4715 9.4715 9.9913 9.9913 10.4387 10.4387 11.2292 11.2292 k = 0.2907-0.6502-0.3868 ( 5610 PWs) bands (ev): -16.6289 -16.6289 -16.6287 -16.6287 -16.6225 -16.6225 -16.6214 -16.6214 -13.6593 -13.6593 -13.6570 -13.6570 -13.6481 -13.6481 -13.6466 -13.6466 -13.6383 -13.6383 -13.6353 -13.6353 -5.3025 -5.3025 -4.1614 -4.1614 -3.7480 -3.7480 -1.6946 -1.6946 -1.1583 -1.1583 3.3843 3.3843 4.0666 4.0666 4.2907 4.2907 5.0535 5.0535 5.2851 5.2851 5.8796 5.8796 6.6066 6.6066 6.8338 6.8338 7.3884 7.3884 8.5215 8.5215 9.4997 9.4997 9.9854 9.9854 10.4637 10.4637 11.2618 11.2618 k = 0.3023-0.6762-0.4023 ( 5612 PWs) bands (ev): -16.6288 -16.6288 -16.6286 -16.6286 -16.6224 -16.6224 -16.6214 -16.6214 -13.6595 -13.6595 -13.6571 -13.6571 -13.6481 -13.6481 -13.6465 -13.6465 -13.6381 -13.6381 -13.6350 -13.6350 -5.2551 -5.2551 -4.1202 -4.1202 -3.7135 -3.7135 -1.7564 -1.7564 -1.2044 -1.2044 3.2907 3.2907 4.0614 4.0614 4.2536 4.2536 5.0097 5.0097 5.2366 5.2366 5.8158 5.8158 6.5578 6.5578 6.8081 6.8081 7.3945 7.3945 8.5166 8.5166 9.5285 9.5285 9.9791 9.9791 10.4907 10.4907 11.2864 11.2864 k = 0.3140-0.7022-0.4177 ( 5616 PWs) bands (ev): -16.6287 -16.6287 -16.6285 -16.6285 -16.6224 -16.6224 -16.6215 -16.6215 -13.6596 -13.6596 -13.6573 -13.6573 -13.6481 -13.6481 -13.6464 -13.6464 -13.6378 -13.6378 -13.6347 -13.6347 -5.2070 -5.2070 -4.0790 -4.0790 -3.6785 -3.6785 -1.8181 -1.8181 -1.2530 -1.2530 3.2004 3.2004 4.0604 4.0604 4.2218 4.2218 4.9661 4.9661 5.1918 5.1918 5.7543 5.7543 6.4932 6.4932 6.7943 6.7943 7.4009 7.4009 8.5080 8.5080 9.5567 9.5567 9.9748 9.9748 10.5182 10.5182 11.3049 11.3049 k = 0.3256-0.7282-0.4332 ( 5610 PWs) bands (ev): -16.6286 -16.6286 -16.6284 -16.6284 -16.6224 -16.6224 -16.6215 -16.6215 -13.6598 -13.6598 -13.6575 -13.6575 -13.6481 -13.6481 -13.6463 -13.6463 -13.6375 -13.6375 -13.6343 -13.6343 -5.1586 -5.1586 -4.0379 -4.0379 -3.6434 -3.6434 -1.8793 -1.8793 -1.3039 -1.3039 3.1140 3.1140 4.0632 4.0632 4.1950 4.1950 4.9226 4.9226 5.1509 5.1509 5.6955 5.6955 6.4185 6.4185 6.7879 6.7879 7.4075 7.4075 8.4958 8.4958 9.5827 9.5827 9.9749 9.9749 10.5453 10.5453 11.3194 11.3194 k = 0.3372-0.7542-0.4487 ( 5612 PWs) bands (ev): -16.6285 -16.6285 -16.6283 -16.6283 -16.6223 -16.6223 -16.6215 -16.6215 -13.6600 -13.6600 -13.6577 -13.6577 -13.6481 -13.6481 -13.6462 -13.6462 -13.6372 -13.6372 -13.6340 -13.6340 -5.1099 -5.1099 -3.9971 -3.9971 -3.6085 -3.6085 -1.9392 -1.9392 -1.3569 -1.3569 3.0318 3.0318 4.0694 4.0694 4.1731 4.1731 4.8796 4.8796 5.1137 5.1137 5.6394 5.6394 6.3383 6.3383 6.7854 6.7854 7.4142 7.4142 8.4807 8.4807 9.6040 9.6040 9.9819 9.9819 10.5713 10.5713 11.3317 11.3317 k = 0.3488-0.7802-0.4642 ( 5616 PWs) bands (ev): -16.6284 -16.6284 -16.6282 -16.6282 -16.6223 -16.6223 -16.6215 -16.6215 -13.6602 -13.6602 -13.6580 -13.6580 -13.6481 -13.6481 -13.6461 -13.6461 -13.6370 -13.6370 -13.6337 -13.6337 -5.0614 -5.0614 -3.9568 -3.9568 -3.5742 -3.5742 -1.9971 -1.9971 -1.4119 -1.4119 2.9541 2.9541 4.0783 4.0783 4.1565 4.1565 4.8371 4.8371 5.0801 5.0801 5.5862 5.5862 6.2553 6.2553 6.7849 6.7849 7.4210 7.4210 8.4633 8.4633 9.6188 9.6188 9.9974 9.9974 10.5960 10.5960 11.3431 11.3431 k = 0.3605-0.8063-0.4796 ( 5607 PWs) bands (ev): -16.6283 -16.6283 -16.6282 -16.6282 -16.6223 -16.6223 -16.6216 -16.6216 -13.6604 -13.6604 -13.6582 -13.6582 -13.6481 -13.6481 -13.6460 -13.6460 -13.6367 -13.6367 -13.6334 -13.6334 -5.0134 -5.0134 -3.9170 -3.9170 -3.5409 -3.5409 -2.0522 -2.0522 -1.4687 -1.4687 2.8812 2.8812 4.0885 4.0885 4.1459 4.1459 4.7956 4.7956 5.0498 5.0498 5.5363 5.5363 6.1714 6.1714 6.7854 6.7854 7.4277 7.4277 8.4444 8.4444 9.6263 9.6263 10.0216 10.0216 10.6199 10.6199 11.3540 11.3540 k = 0.3721-0.8323-0.4951 ( 5606 PWs) bands (ev): -16.6283 -16.6283 -16.6281 -16.6281 -16.6222 -16.6222 -16.6216 -16.6216 -13.6606 -13.6606 -13.6584 -13.6584 -13.6481 -13.6481 -13.6459 -13.6459 -13.6365 -13.6365 -13.6332 -13.6332 -4.9662 -4.9662 -3.8780 -3.8780 -3.5095 -3.5095 -2.1036 -2.1036 -1.5269 -1.5269 2.8133 2.8133 4.0973 4.0973 4.1433 4.1433 4.7555 4.7555 5.0226 5.0226 5.4897 5.4897 6.0879 6.0879 6.7864 6.7864 7.4344 7.4344 8.4244 8.4244 9.6274 9.6274 10.0532 10.0532 10.6435 10.6435 11.3643 11.3643 k = 0.3837-0.8583-0.5106 ( 5608 PWs) bands (ev): -16.6282 -16.6282 -16.6280 -16.6280 -16.6222 -16.6222 -16.6216 -16.6216 -13.6607 -13.6607 -13.6586 -13.6586 -13.6481 -13.6481 -13.6458 -13.6458 -13.6363 -13.6363 -13.6329 -13.6329 -4.9203 -4.9203 -3.8398 -3.8398 -3.4806 -3.4806 -2.1501 -2.1501 -1.5863 -1.5863 2.7506 2.7506 4.1018 4.1018 4.1509 4.1509 4.7172 4.7172 4.9982 4.9982 5.4467 5.4467 6.0059 6.0059 6.7876 6.7876 7.4410 7.4410 8.4042 8.4042 9.6235 9.6235 10.0898 10.0898 10.6678 10.6678 11.3735 11.3735 k = 0.3953-0.8843-0.5260 ( 5610 PWs) bands (ev): -16.6281 -16.6281 -16.6280 -16.6280 -16.6222 -16.6222 -16.6216 -16.6216 -13.6609 -13.6609 -13.6588 -13.6588 -13.6481 -13.6481 -13.6457 -13.6457 -13.6360 -13.6360 -13.6326 -13.6326 -4.8762 -4.8762 -3.8023 -3.8023 -3.4553 -3.4553 -2.1906 -2.1906 -1.6466 -1.6466 2.6933 2.6933 4.1036 4.1036 4.1659 4.1659 4.6814 4.6814 4.9761 4.9761 5.4075 5.4075 5.9263 5.9263 6.7889 6.7889 7.4474 7.4474 8.3841 8.3841 9.6164 9.6164 10.1286 10.1286 10.6938 10.6938 11.3806 11.3806 k = 0.4070-0.9103-0.5415 ( 5616 PWs) bands (ev): -16.6281 -16.6281 -16.6279 -16.6279 -16.6221 -16.6221 -16.6216 -16.6216 -13.6611 -13.6611 -13.6589 -13.6589 -13.6481 -13.6481 -13.6456 -13.6456 -13.6358 -13.6358 -13.6324 -13.6324 -4.8343 -4.8343 -3.7656 -3.7656 -3.4345 -3.4345 -2.2238 -2.2238 -1.7075 -1.7075 2.6416 2.6416 4.1057 4.1057 4.1843 4.1843 4.6486 4.6486 4.9562 4.9562 5.3724 5.3724 5.8501 5.8501 6.7901 6.7901 7.4535 7.4535 8.3648 8.3648 9.6076 9.6076 10.1672 10.1672 10.7225 10.7225 11.3841 11.3841 k = 0.4186-0.9363-0.5570 ( 5620 PWs) bands (ev): -16.6280 -16.6280 -16.6279 -16.6279 -16.6221 -16.6221 -16.6217 -16.6217 -13.6612 -13.6612 -13.6591 -13.6591 -13.6481 -13.6481 -13.6455 -13.6455 -13.6357 -13.6357 -13.6322 -13.6322 -4.7953 -4.7953 -3.7298 -3.7298 -3.4192 -3.4192 -2.2486 -2.2486 -1.7684 -1.7684 2.5956 2.5956 4.1095 4.1095 4.2033 4.2033 4.6196 4.6196 4.9381 4.9381 5.3417 5.3417 5.7782 5.7782 6.7912 6.7912 7.4593 7.4593 8.3467 8.3467 9.5980 9.5980 10.2035 10.2035 10.7549 10.7549 11.3823 11.3823 k = 0.4302-0.9623-0.5725 ( 5615 PWs) bands (ev): -16.6280 -16.6280 -16.6278 -16.6278 -16.6220 -16.6220 -16.6217 -16.6217 -13.6614 -13.6614 -13.6592 -13.6592 -13.6481 -13.6481 -13.6454 -13.6454 -13.6355 -13.6355 -13.6320 -13.6320 -4.7598 -4.7598 -3.6947 -3.6947 -3.4100 -3.4100 -2.2641 -2.2641 -1.8289 -1.8289 2.5555 2.5555 4.1150 4.1150 4.2210 4.2210 4.5954 4.5954 4.9215 4.9215 5.3157 5.3157 5.7115 5.7115 6.7921 6.7921 7.4646 7.4646 8.3301 8.3301 9.5886 9.5886 10.2360 10.2360 10.7913 10.7913 11.3732 11.3732 k = 0.4419-0.9883-0.5879 ( 5617 PWs) bands (ev): -16.6280 -16.6280 -16.6278 -16.6278 -16.6220 -16.6220 -16.6217 -16.6217 -13.6615 -13.6615 -13.6594 -13.6594 -13.6481 -13.6481 -13.6454 -13.6454 -13.6354 -13.6354 -13.6319 -13.6319 -4.7283 -4.7283 -3.6605 -3.6605 -3.4076 -3.4076 -2.2695 -2.2695 -1.8885 -1.8885 2.5214 2.5214 4.1222 4.1222 4.2357 4.2357 4.5767 4.5767 4.9064 4.9064 5.2945 5.2945 5.6512 5.6512 6.7929 6.7929 7.4693 7.4693 8.3154 8.3154 9.5800 9.5800 10.2638 10.2638 10.8317 10.8317 11.3557 11.3557 k = 0.4535-1.0143-0.6034 ( 5623 PWs) bands (ev): -16.6279 -16.6279 -16.6278 -16.6278 -16.6220 -16.6220 -16.6217 -16.6217 -13.6616 -13.6616 -13.6595 -13.6595 -13.6480 -13.6480 -13.6453 -13.6453 -13.6353 -13.6353 -13.6317 -13.6317 -4.7016 -4.7016 -3.6272 -3.6272 -3.4118 -3.4118 -2.2648 -2.2648 -1.9466 -1.9466 2.4933 2.4933 4.1306 4.1306 4.2461 4.2461 4.5640 4.5640 4.8928 4.8928 5.2781 5.2781 5.5986 5.5986 6.7936 6.7936 7.4733 7.4733 8.3030 8.3030 9.5724 9.5724 10.2862 10.2862 10.8754 10.8754 11.3296 11.3296 k = 0.4651-1.0403-0.6189 ( 5618 PWs) bands (ev): -16.6279 -16.6279 -16.6278 -16.6278 -16.6220 -16.6220 -16.6217 -16.6217 -13.6616 -13.6616 -13.6595 -13.6595 -13.6480 -13.6480 -13.6453 -13.6453 -13.6352 -13.6352 -13.6316 -13.6316 -4.6800 -4.6800 -3.5955 -3.5955 -3.4218 -3.4218 -2.2503 -2.2503 -2.0025 -2.0025 2.4714 2.4714 4.1393 4.1393 4.2517 4.2517 4.5570 4.5570 4.8810 4.8810 5.2665 5.2665 5.5550 5.5550 6.7941 6.7941 7.4766 7.4766 8.2931 8.2931 9.5663 9.5663 10.3034 10.3034 10.9207 10.9207 11.2968 11.2968 k = 0.4767-1.0663-0.6343 ( 5609 PWs) bands (ev): -16.6279 -16.6279 -16.6278 -16.6278 -16.6219 -16.6219 -16.6217 -16.6217 -13.6617 -13.6617 -13.6596 -13.6596 -13.6480 -13.6480 -13.6453 -13.6453 -13.6351 -13.6351 -13.6315 -13.6315 -4.6643 -4.6643 -3.5662 -3.5662 -3.4362 -3.4362 -2.2272 -2.2272 -2.0549 -2.0549 2.4557 2.4557 4.1473 4.1473 4.2534 4.2534 4.5543 4.5543 4.8716 4.8716 5.2592 5.2592 5.5221 5.5221 6.7944 6.7944 7.4790 7.4790 8.2859 8.2859 9.5618 9.5618 10.3154 10.3154 10.9641 10.9641 11.2613 11.2613 k = 0.4884-1.0923-0.6498 ( 5609 PWs) bands (ev): -16.6279 -16.6279 -16.6277 -16.6277 -16.6219 -16.6219 -16.6217 -16.6217 -13.6617 -13.6617 -13.6596 -13.6596 -13.6480 -13.6480 -13.6452 -13.6452 -13.6351 -13.6351 -13.6315 -13.6315 -4.6546 -4.6546 -3.5422 -3.5422 -3.4516 -3.4516 -2.1977 -2.1977 -2.1020 -2.1020 2.4463 2.4463 4.1531 4.1531 4.2530 4.2530 4.5540 4.5540 4.8655 4.8655 5.2553 5.2553 5.5015 5.5015 6.7947 6.7947 7.4805 7.4805 8.2814 8.2814 9.5591 9.5591 10.3225 10.3225 10.9992 10.9992 11.2307 11.2307 k = 0.5000-1.1184-0.6653 ( 5604 PWs) bands (ev): -16.6279 -16.6279 -16.6277 -16.6277 -16.6219 -16.6219 -16.6217 -16.6217 -13.6617 -13.6617 -13.6596 -13.6596 -13.6480 -13.6480 -13.6452 -13.6452 -13.6351 -13.6351 -13.6315 -13.6315 -4.6514 -4.6514 -3.5315 -3.5315 -3.4594 -3.4594 -2.1755 -2.1755 -2.1299 -2.1299 2.4431 2.4431 4.1553 4.1553 4.2526 4.2526 4.5541 4.5541 4.8634 4.8634 5.2541 5.2541 5.4944 5.4944 6.7947 6.7947 7.4809 7.4809 8.2800 8.2800 9.5582 9.5582 10.3248 10.3248 11.0138 11.0138 11.2175 11.2175 k = 0.5000-1.1184-0.6653 ( 5604 PWs) bands (ev): -16.6279 -16.6279 -16.6277 -16.6277 -16.6219 -16.6219 -16.6217 -16.6217 -13.6617 -13.6617 -13.6596 -13.6596 -13.6480 -13.6480 -13.6452 -13.6452 -13.6351 -13.6351 -13.6315 -13.6315 -4.6514 -4.6514 -3.5315 -3.5315 -3.4594 -3.4594 -2.1755 -2.1755 -2.1299 -2.1299 2.4431 2.4431 4.1553 4.1553 4.2526 4.2526 4.5541 4.5541 4.8634 4.8634 5.2541 5.2541 5.4944 5.4944 6.7947 6.7947 7.4809 7.4809 8.2800 8.2800 9.5582 9.5582 10.3248 10.3248 11.0138 11.0138 11.2175 11.2175 k = 0.5000-1.1017-0.6933 ( 5606 PWs) bands (ev): -16.6279 -16.6279 -16.6277 -16.6277 -16.6219 -16.6219 -16.6217 -16.6217 -13.6617 -13.6617 -13.6596 -13.6596 -13.6480 -13.6480 -13.6452 -13.6452 -13.6351 -13.6351 -13.6315 -13.6315 -4.6508 -4.6508 -3.5303 -3.5303 -3.4583 -3.4583 -2.1764 -2.1764 -2.1314 -2.1314 2.4442 2.4442 4.1470 4.1470 4.2459 4.2459 4.5466 4.5466 4.8811 4.8811 5.2576 5.2576 5.4982 5.4982 6.7799 6.7799 7.4609 7.4609 8.3066 8.3066 9.5675 9.5675 10.3258 10.3258 11.0142 11.0142 11.2194 11.2194 k = 0.5000-1.0850-0.7213 ( 5612 PWs) bands (ev): -16.6279 -16.6279 -16.6276 -16.6276 -16.6220 -16.6220 -16.6217 -16.6217 -13.6617 -13.6617 -13.6596 -13.6596 -13.6480 -13.6480 -13.6453 -13.6453 -13.6351 -13.6351 -13.6315 -13.6315 -4.6491 -4.6491 -3.5267 -3.5267 -3.4550 -3.4550 -2.1791 -2.1791 -2.1356 -2.1356 2.4474 2.4474 4.1231 4.1231 4.2257 4.2257 4.5301 4.5301 4.9278 4.9278 5.2674 5.2674 5.5097 5.5097 6.7369 6.7369 7.4073 7.4073 8.3795 8.3795 9.5948 9.5948 10.3285 10.3285 11.0157 11.0157 11.2250 11.2250 k = 0.5000-1.0683-0.7494 ( 5616 PWs) bands (ev): -16.6280 -16.6280 -16.6276 -16.6276 -16.6220 -16.6220 -16.6217 -16.6217 -13.6616 -13.6616 -13.6595 -13.6595 -13.6480 -13.6480 -13.6453 -13.6453 -13.6351 -13.6351 -13.6316 -13.6316 -4.6462 -4.6462 -3.5208 -3.5208 -3.4494 -3.4494 -2.1836 -2.1836 -2.1428 -2.1428 2.4527 2.4527 4.0861 4.0861 4.1925 4.1925 4.5142 4.5142 4.9921 4.9921 5.2823 5.2823 5.5288 5.5288 6.6693 6.6693 7.3319 7.3319 8.4843 8.4843 9.6388 9.6388 10.3320 10.3320 11.0181 11.0181 11.2347 11.2347 k = 0.5000-1.0517-0.7774 ( 5622 PWs) bands (ev): -16.6280 -16.6280 -16.6275 -16.6275 -16.6220 -16.6220 -16.6217 -16.6217 -13.6615 -13.6615 -13.6594 -13.6594 -13.6481 -13.6481 -13.6454 -13.6454 -13.6351 -13.6351 -13.6317 -13.6317 -4.6422 -4.6422 -3.5126 -3.5126 -3.4416 -3.4416 -2.1899 -2.1899 -2.1527 -2.1527 2.4601 2.4601 4.0392 4.0392 4.1481 4.1481 4.5038 4.5038 5.0654 5.0654 5.3012 5.3012 5.5551 5.5551 6.5824 6.5824 7.2441 7.2441 8.6091 8.6091 9.6971 9.6971 10.3352 10.3352 11.0216 11.0216 11.2484 11.2484 k = 0.5000-1.0350-0.8054 ( 5632 PWs) bands (ev): -16.6281 -16.6281 -16.6274 -16.6274 -16.6221 -16.6221 -16.6217 -16.6217 -13.6613 -13.6613 -13.6593 -13.6593 -13.6481 -13.6481 -13.6455 -13.6455 -13.6352 -13.6352 -13.6318 -13.6318 -4.6371 -4.6371 -3.5020 -3.5020 -3.4316 -3.4316 -2.1982 -2.1982 -2.1655 -2.1655 2.4695 2.4695 3.9860 3.9860 4.0951 4.0951 4.4993 4.4993 5.1412 5.1412 5.3244 5.3244 5.5877 5.5877 6.4816 6.4816 7.1489 7.1489 8.7459 8.7459 9.7668 9.7668 10.3372 10.3372 11.0263 11.0263 11.2660 11.2660 k = 0.5000-1.0183-0.8335 ( 5630 PWs) bands (ev): -16.6281 -16.6281 -16.6273 -16.6273 -16.6221 -16.6221 -16.6217 -16.6217 -13.6611 -13.6611 -13.6591 -13.6591 -13.6481 -13.6481 -13.6456 -13.6456 -13.6352 -13.6352 -13.6319 -13.6319 -4.6309 -4.6309 -3.4892 -3.4892 -3.4194 -3.4194 -2.2084 -2.2084 -2.1810 -2.1810 2.4810 2.4810 3.9293 3.9293 4.0363 4.0363 4.4996 4.4996 5.2114 5.2114 5.3560 5.3560 5.6252 5.6252 6.3723 6.3723 7.0493 7.0493 8.8895 8.8895 9.8441 9.8441 10.3378 10.3378 11.0321 11.0321 11.2867 11.2867 k = 0.5000-1.0016-0.8615 ( 5622 PWs) bands (ev): -16.6281 -16.6281 -16.6272 -16.6272 -16.6222 -16.6222 -16.6217 -16.6217 -13.6609 -13.6609 -13.6590 -13.6590 -13.6481 -13.6481 -13.6458 -13.6458 -13.6352 -13.6352 -13.6320 -13.6320 -4.6238 -4.6238 -3.4740 -3.4740 -3.4050 -3.4050 -2.2207 -2.2207 -2.1993 -2.1993 2.4944 2.4944 3.8714 3.8714 3.9741 3.9741 4.5037 4.5037 5.2647 5.2647 5.4042 5.4042 5.6655 5.6655 6.2592 6.2592 6.9475 6.9475 9.0365 9.0365 9.9229 9.9229 10.3396 10.3396 11.0393 11.0393 11.3089 11.3089 k = 0.5000-0.9850-0.8895 ( 5626 PWs) bands (ev): -16.6281 -16.6281 -16.6271 -16.6271 -16.6222 -16.6222 -16.6217 -16.6217 -13.6607 -13.6607 -13.6588 -13.6588 -13.6482 -13.6482 -13.6459 -13.6459 -13.6353 -13.6353 -13.6322 -13.6322 -4.6157 -4.6157 -3.4565 -3.4565 -3.3884 -3.3884 -2.2353 -2.2353 -2.2200 -2.2200 2.5098 2.5098 3.8140 3.8140 3.9101 3.9101 4.5103 4.5103 5.2967 5.2967 5.4702 5.4702 5.7067 5.7067 6.1474 6.1474 6.8457 6.8457 9.1839 9.1839 9.9930 9.9930 10.3498 10.3498 11.0481 11.0481 11.3297 11.3297 k = 0.5000-0.9683-0.9175 ( 5624 PWs) bands (ev): -16.6281 -16.6281 -16.6269 -16.6269 -16.6223 -16.6223 -16.6217 -16.6217 -13.6604 -13.6604 -13.6586 -13.6586 -13.6483 -13.6483 -13.6461 -13.6461 -13.6353 -13.6353 -13.6324 -13.6324 -4.6068 -4.6068 -3.4368 -3.4368 -3.3696 -3.3696 -2.2527 -2.2527 -2.2428 -2.2428 2.5269 2.5269 3.7583 3.7583 3.8461 3.8461 4.5186 4.5186 5.3139 5.3139 5.5415 5.5415 5.7470 5.7470 6.0436 6.0436 6.7466 6.7466 9.3292 9.3292 10.0383 10.0383 10.3826 10.3826 11.0585 11.0585 11.3449 11.3449 k = 0.5000-0.9516-0.9456 ( 5622 PWs) bands (ev): -16.6281 -16.6281 -16.6268 -16.6268 -16.6223 -16.6223 -16.6217 -16.6217 -13.6601 -13.6601 -13.6583 -13.6583 -13.6484 -13.6484 -13.6463 -13.6463 -13.6353 -13.6353 -13.6325 -13.6325 -4.5971 -4.5971 -3.4148 -3.4148 -3.3487 -3.3487 -2.2748 -2.2748 -2.2658 -2.2658 2.5458 2.5458 3.7052 3.7052 3.7832 3.7832 4.5278 4.5278 5.3205 5.3205 5.6011 5.6011 5.7857 5.7857 5.9594 5.9594 6.6536 6.6536 9.4696 9.4696 10.0477 10.0477 10.4481 10.4481 11.0710 11.0710 11.3505 11.3505 k = 0.5000-0.9349-0.9736 ( 5622 PWs) bands (ev): -16.6281 -16.6281 -16.6267 -16.6267 -16.6224 -16.6224 -16.6218 -16.6218 -13.6598 -13.6598 -13.6581 -13.6581 -13.6485 -13.6485 -13.6465 -13.6465 -13.6353 -13.6353 -13.6327 -13.6327 -4.5867 -4.5867 -3.3906 -3.3906 -3.3256 -3.3256 -2.3023 -2.3023 -2.2882 -2.2882 2.5662 2.5662 3.6553 3.6553 3.7225 3.7225 4.5369 4.5369 5.3151 5.3151 5.6263 5.6263 5.8196 5.8196 5.9192 5.9192 6.5714 6.5714 9.6010 9.6010 10.0279 10.0279 10.5396 10.5396 11.0856 11.0856 11.3443 11.3443 k = 0.5000-0.9183-1.0016 ( 5624 PWs) bands (ev): -16.6281 -16.6281 -16.6266 -16.6266 -16.6225 -16.6225 -16.6218 -16.6218 -13.6594 -13.6594 -13.6579 -13.6579 -13.6487 -13.6487 -13.6466 -13.6466 -13.6354 -13.6354 -13.6329 -13.6329 -4.5759 -4.5759 -3.3643 -3.3643 -3.3004 -3.3004 -2.3333 -2.3333 -2.3120 -2.3120 2.5881 2.5881 3.6089 3.6089 3.6654 3.6654 4.5447 4.5447 5.2932 5.2932 5.6104 5.6104 5.8288 5.8288 5.9502 5.9502 6.5056 6.5056 9.7144 9.7144 9.9966 9.9966 10.6445 10.6445 11.1023 11.1023 11.3277 11.3277 k = 0.5000-0.9016-1.0297 ( 5624 PWs) bands (ev): -16.6281 -16.6281 -16.6265 -16.6265 -16.6225 -16.6225 -16.6218 -16.6218 -13.6591 -13.6591 -13.6576 -13.6576 -13.6489 -13.6489 -13.6468 -13.6468 -13.6354 -13.6354 -13.6331 -13.6331 -4.5645 -4.5645 -3.3359 -3.3359 -3.2731 -3.2731 -2.3669 -2.3669 -2.3380 -2.3380 2.6114 2.6114 3.5657 3.5657 3.6130 3.6130 4.5496 4.5496 5.2509 5.2509 5.5804 5.5804 5.8163 5.8163 6.0228 6.0228 6.4618 6.4618 9.7821 9.7821 9.9865 9.9865 10.7522 10.7522 11.1197 11.1197 11.3064 11.3064 k = 0.5000-0.8849-1.0577 ( 5616 PWs) bands (ev): -16.6281 -16.6281 -16.6264 -16.6264 -16.6226 -16.6226 -16.6218 -16.6218 -13.6587 -13.6587 -13.6574 -13.6574 -13.6491 -13.6491 -13.6469 -13.6469 -13.6354 -13.6354 -13.6333 -13.6333 -4.5530 -4.5530 -3.3053 -3.3053 -3.2438 -3.2438 -2.4028 -2.4028 -2.3663 -2.3663 2.6357 2.6357 3.5251 3.5251 3.5673 3.5673 4.5496 4.5496 5.1914 5.1914 5.5537 5.5537 5.7910 5.7910 6.1078 6.1078 6.4425 6.4425 9.7684 9.7684 10.0345 10.0345 10.8527 10.8527 11.1331 11.1331 11.2928 11.2928 k = 0.5000-0.8683-1.0857 ( 5606 PWs) bands (ev): -16.6281 -16.6281 -16.6263 -16.6263 -16.6227 -16.6227 -16.6218 -16.6218 -13.6583 -13.6583 -13.6571 -13.6571 -13.6494 -13.6494 -13.6470 -13.6470 -13.6353 -13.6353 -13.6335 -13.6335 -4.5413 -4.5413 -3.2728 -3.2728 -3.2123 -3.2123 -2.4408 -2.4408 -2.3972 -2.3972 2.6610 2.6610 3.4862 3.4862 3.5298 3.5298 4.5416 4.5416 5.1239 5.1239 5.5272 5.5272 5.7607 5.7607 6.1967 6.1967 6.4456 6.4456 9.7072 9.7072 10.1066 10.1066 10.9313 10.9313 11.1368 11.1368 11.3057 11.3057 k = 0.5000-0.8516-1.1137 ( 5604 PWs) bands (ev): -16.6280 -16.6280 -16.6262 -16.6262 -16.6227 -16.6227 -16.6218 -16.6218 -13.6580 -13.6580 -13.6569 -13.6569 -13.6498 -13.6498 -13.6471 -13.6471 -13.6353 -13.6353 -13.6337 -13.6337 -4.5297 -4.5297 -3.2383 -3.2383 -3.1789 -3.1789 -2.4807 -2.4807 -2.4307 -2.4307 2.6871 2.6871 3.4494 3.4494 3.5009 3.5009 4.5222 4.5222 5.0577 5.0577 5.4917 5.4917 5.7374 5.7374 6.2859 6.2859 6.4664 6.4664 9.6290 9.6290 10.1709 10.1709 10.9651 10.9651 11.1456 11.1456 11.3515 11.3515 k = 0.5000-0.8349-1.1418 ( 5598 PWs) bands (ev): -16.6280 -16.6280 -16.6261 -16.6261 -16.6228 -16.6228 -16.6219 -16.6219 -13.6576 -13.6576 -13.6566 -13.6566 -13.6501 -13.6501 -13.6471 -13.6471 -13.6353 -13.6353 -13.6339 -13.6339 -4.5183 -4.5183 -3.2019 -3.2019 -3.1435 -3.1435 -2.5221 -2.5221 -2.4668 -2.4668 2.7136 2.7136 3.4161 3.4161 3.4799 3.4799 4.4888 4.4888 4.9982 4.9982 5.4438 5.4438 5.7287 5.7287 6.3728 6.3728 6.5009 6.5009 9.5431 9.5431 10.2172 10.2172 10.9492 10.9492 11.1735 11.1735 11.4187 11.4187 k = 0.5000-0.8182-1.1698 ( 5604 PWs) bands (ev): -16.6280 -16.6280 -16.6260 -16.6260 -16.6228 -16.6228 -16.6219 -16.6219 -13.6573 -13.6573 -13.6563 -13.6563 -13.6505 -13.6505 -13.6472 -13.6472 -13.6352 -13.6352 -13.6340 -13.6340 -4.5074 -4.5074 -3.1637 -3.1637 -3.1061 -3.1061 -2.5649 -2.5649 -2.5056 -2.5056 2.7404 2.7404 3.3875 3.3875 3.4659 3.4659 4.4406 4.4406 4.9459 4.9459 5.3902 5.3902 5.7336 5.7336 6.4536 6.4536 6.5480 6.5480 9.4530 9.4530 10.2411 10.2411 10.9108 10.9108 11.2051 11.2051 11.4934 11.4934 k = 0.5000-0.8016-1.1978 ( 5600 PWs) bands (ev): -16.6280 -16.6280 -16.6259 -16.6259 -16.6229 -16.6229 -16.6219 -16.6219 -13.6570 -13.6570 -13.6560 -13.6560 -13.6509 -13.6509 -13.6472 -13.6472 -13.6352 -13.6352 -13.6342 -13.6342 -4.4973 -4.4973 -3.1237 -3.1237 -3.0668 -3.0668 -2.6088 -2.6088 -2.5469 -2.5469 2.7673 2.7673 3.3644 3.3644 3.4586 3.4586 4.3798 4.3798 4.8961 4.8961 5.3410 5.3410 5.7478 5.7478 6.5229 6.5229 6.6095 6.6095 9.3607 9.3607 10.2411 10.2411 10.8690 10.8690 11.2299 11.2299 11.5675 11.5675 k = 0.5000-0.7849-1.2259 ( 5612 PWs) bands (ev): -16.6279 -16.6279 -16.6258 -16.6258 -16.6229 -16.6229 -16.6219 -16.6219 -13.6568 -13.6568 -13.6557 -13.6557 -13.6513 -13.6513 -13.6472 -13.6472 -13.6351 -13.6351 -13.6343 -13.6343 -4.4881 -4.4881 -3.0821 -3.0821 -3.0258 -3.0258 -2.6533 -2.6533 -2.5908 -2.5908 2.7941 2.7941 3.3471 3.3471 3.4577 3.4577 4.3105 4.3105 4.8421 4.8421 5.3046 5.3046 5.7680 5.7680 6.5802 6.5802 6.6836 6.6836 9.2679 9.2679 10.2181 10.2181 10.8311 10.8311 11.2453 11.2453 11.6395 11.6395 k = 0.5000-0.7682-1.2539 ( 5606 PWs) bands (ev): -16.6279 -16.6279 -16.6258 -16.6258 -16.6229 -16.6229 -16.6219 -16.6219 -13.6566 -13.6566 -13.6554 -13.6554 -13.6517 -13.6517 -13.6473 -13.6473 -13.6351 -13.6351 -13.6344 -13.6344 -4.4802 -4.4802 -3.0391 -3.0391 -2.9831 -2.9831 -2.6980 -2.6980 -2.6372 -2.6372 2.8209 2.8209 3.3356 3.3356 3.4630 3.4630 4.2368 4.2368 4.7795 4.7795 5.2853 5.2853 5.7923 5.7923 6.6309 6.6309 6.7630 6.7630 9.1757 9.1757 10.1754 10.1754 10.7992 10.7992 11.2522 11.2522 11.7096 11.7096 k = 0.5000-0.7515-1.2819 ( 5608 PWs) bands (ev): -16.6279 -16.6279 -16.6257 -16.6257 -16.6230 -16.6230 -16.6219 -16.6219 -13.6565 -13.6565 -13.6550 -13.6550 -13.6521 -13.6521 -13.6473 -13.6473 -13.6350 -13.6350 -13.6346 -13.6346 -4.4738 -4.4738 -2.9950 -2.9950 -2.9393 -2.9393 -2.7420 -2.7420 -2.6858 -2.6858 2.8476 2.8476 3.3299 3.3299 3.4743 3.4743 4.1622 4.1622 4.7079 4.7079 5.2827 5.2827 5.8195 5.8195 6.6782 6.6782 6.8427 6.8427 9.0855 9.0855 10.1178 10.1178 10.7725 10.7725 11.2520 11.2520 11.7774 11.7774 k = 0.5000-0.7349-1.3099 ( 5608 PWs) bands (ev): -16.6279 -16.6279 -16.6257 -16.6257 -16.6230 -16.6230 -16.6219 -16.6219 -13.6564 -13.6564 -13.6548 -13.6548 -13.6524 -13.6524 -13.6473 -13.6473 -13.6349 -13.6349 -13.6346 -13.6346 -4.4692 -4.4692 -2.9504 -2.9504 -2.8960 -2.8960 -2.7830 -2.7830 -2.7362 -2.7362 2.8745 2.8745 3.3296 3.3296 3.4912 3.4912 4.0892 4.0892 4.6298 4.6298 5.2938 5.2938 5.8488 5.8488 6.7231 6.7231 6.9203 6.9203 8.9985 8.9985 10.0503 10.0503 10.7491 10.7491 11.2465 11.2465 11.8417 11.8417 k = 0.5000-0.7182-1.3380 ( 5608 PWs) bands (ev): -16.6279 -16.6279 -16.6257 -16.6257 -16.6230 -16.6230 -16.6219 -16.6219 -13.6563 -13.6563 -13.6546 -13.6546 -13.6526 -13.6526 -13.6473 -13.6473 -13.6349 -13.6349 -13.6347 -13.6347 -4.4667 -4.4667 -2.9094 -2.9094 -2.8645 -2.8645 -2.8082 -2.8082 -2.7858 -2.7858 2.9016 2.9016 3.3339 3.3339 3.5131 3.5131 4.0201 4.0201 4.5483 4.5483 5.3153 5.3153 5.8797 5.8797 6.7655 6.7655 6.9942 6.9942 8.9161 8.9161 9.9772 9.9772 10.7271 10.7271 11.2369 11.2369 11.9008 11.9008 k = 0.5000-0.7015-1.3660 ( 5600 PWs) bands (ev): -16.6279 -16.6279 -16.6257 -16.6257 -16.6230 -16.6230 -16.6219 -16.6219 -13.6563 -13.6563 -13.6546 -13.6546 -13.6526 -13.6526 -13.6473 -13.6473 -13.6349 -13.6349 -13.6347 -13.6347 -4.4667 -4.4667 -2.9040 -2.9040 -2.8620 -2.8620 -2.8263 -2.8263 -2.7762 -2.7762 2.9295 2.9295 3.3420 3.3420 3.5395 3.5395 3.9567 3.9567 4.4663 4.4663 5.3444 5.3444 5.9119 5.9119 6.8050 6.8050 7.0631 7.0631 8.8398 8.8398 9.9021 9.9021 10.7054 10.7054 11.2243 11.2243 11.9535 11.9535 k = 0.5000-0.6848-1.3940 ( 5598 PWs) bands (ev): -16.6279 -16.6279 -16.6257 -16.6257 -16.6230 -16.6230 -16.6219 -16.6219 -13.6564 -13.6564 -13.6548 -13.6548 -13.6524 -13.6524 -13.6473 -13.6473 -13.6349 -13.6349 -13.6347 -13.6347 -4.4694 -4.4694 -2.9389 -2.9389 -2.9076 -2.9076 -2.7917 -2.7917 -2.7287 -2.7287 2.9582 2.9582 3.3527 3.3527 3.5694 3.5694 3.9010 3.9010 4.3862 4.3862 5.3792 5.3792 5.9450 5.9450 6.8408 6.8408 7.1256 7.1256 8.7711 8.7711 9.8275 9.8275 10.6831 10.6831 11.2092 11.2092 11.9986 11.9986 k = 0.8231-0.6159-1.2671 ( 5598 PWs) bands (ev): -16.6279 -16.6279 -16.6257 -16.6257 -16.6230 -16.6230 -16.6219 -16.6219 -13.6564 -13.6564 -13.6548 -13.6548 -13.6524 -13.6524 -13.6473 -13.6473 -13.6349 -13.6349 -13.6347 -13.6347 -4.4694 -4.4694 -2.9389 -2.9389 -2.9076 -2.9076 -2.7917 -2.7917 -2.7287 -2.7287 2.9582 2.9582 3.3527 3.3527 3.5694 3.5694 3.9010 3.9010 4.3862 4.3862 5.3792 5.3792 5.9450 5.9450 6.8408 6.8408 7.1256 7.1256 8.7711 8.7711 9.8275 9.8275 10.6831 10.6831 11.2092 11.2092 11.9986 11.9986 k = 0.8163-0.6009-1.2394 ( 5598 PWs) bands (ev): -16.6279 -16.6279 -16.6257 -16.6257 -16.6230 -16.6230 -16.6219 -16.6219 -13.6564 -13.6564 -13.6550 -13.6550 -13.6522 -13.6522 -13.6473 -13.6473 -13.6350 -13.6350 -13.6346 -13.6346 -4.4750 -4.4750 -2.9815 -2.9815 -2.9612 -2.9612 -2.7439 -2.7439 -2.6767 -2.6767 2.9877 2.9877 3.3643 3.3643 3.6011 3.6011 3.8555 3.8555 4.3108 4.3108 5.4180 5.4180 5.9785 5.9785 6.8718 6.8718 7.1798 7.1798 8.7124 8.7124 9.7566 9.7566 10.6600 10.6600 11.1924 11.1924 12.0351 12.0351 k = 0.8096-0.5858-1.2117 ( 5604 PWs) bands (ev): -16.6279 -16.6279 -16.6258 -16.6258 -16.6229 -16.6229 -16.6219 -16.6219 -13.6566 -13.6566 -13.6552 -13.6552 -13.6519 -13.6519 -13.6473 -13.6473 -13.6350 -13.6350 -13.6345 -13.6345 -4.4838 -4.4838 -3.0332 -3.0332 -3.0081 -3.0081 -2.6938 -2.6938 -2.6220 -2.6220 3.0181 3.0181 3.3753 3.3753 3.6332 3.6332 3.8219 3.8219 4.2419 4.2419 5.4601 5.4601 6.0124 6.0124 6.8977 6.8977 7.2250 7.2250 8.6648 8.6648 9.6900 9.6900 10.6355 10.6355 11.1741 11.1741 12.0632 12.0632 k = 0.8029-0.5707-1.1839 ( 5602 PWs) bands (ev): -16.6280 -16.6280 -16.6258 -16.6258 -16.6229 -16.6229 -16.6219 -16.6219 -13.6567 -13.6567 -13.6554 -13.6554 -13.6515 -13.6515 -13.6473 -13.6473 -13.6351 -13.6351 -13.6345 -13.6345 -4.4960 -4.4960 -3.0926 -3.0926 -3.0477 -3.0477 -2.6425 -2.6425 -2.5653 -2.5653 3.0493 3.0493 3.3840 3.3840 3.6635 3.6635 3.8019 3.8019 4.1823 4.1823 5.5048 5.5048 6.0467 6.0467 6.9174 6.9174 7.2599 7.2599 8.6298 8.6298 9.6292 9.6292 10.6097 10.6097 11.1545 11.1545 12.0825 12.0825 k = 0.7961-0.5557-1.1562 ( 5608 PWs) bands (ev): -16.6280 -16.6280 -16.6259 -16.6259 -16.6229 -16.6229 -16.6219 -16.6219 -13.6570 -13.6570 -13.6556 -13.6556 -13.6512 -13.6512 -13.6473 -13.6473 -13.6351 -13.6351 -13.6344 -13.6344 -4.5117 -4.5117 -3.1548 -3.1548 -3.0840 -3.0840 -2.5905 -2.5905 -2.5068 -2.5068 3.0802 3.0802 3.3902 3.3902 3.6887 3.6887 3.7961 3.7961 4.1367 4.1367 5.5517 5.5517 6.0811 6.0811 6.9302 6.9302 7.2838 7.2838 8.6085 8.6085 9.5755 9.5755 10.5827 10.5827 11.1338 11.1338 12.0931 12.0931 k = 0.7894-0.5406-1.1285 ( 5610 PWs) bands (ev): -16.6280 -16.6280 -16.6260 -16.6260 -16.6229 -16.6229 -16.6219 -16.6219 -13.6572 -13.6572 -13.6557 -13.6557 -13.6509 -13.6509 -13.6472 -13.6472 -13.6352 -13.6352 -13.6344 -13.6344 -4.5309 -4.5309 -3.2187 -3.2187 -3.1178 -3.1178 -2.5382 -2.5382 -2.4466 -2.4466 3.1094 3.1094 3.3954 3.3954 3.7045 3.7045 3.8035 3.8035 4.1105 4.1105 5.6002 5.6002 6.1155 6.1155 6.9351 6.9351 7.2963 7.2963 8.6017 8.6017 9.5298 9.5298 10.5545 10.5545 11.1122 11.1122 12.0949 12.0949 k = 0.7827-0.5256-1.1008 ( 5602 PWs) bands (ev): -16.6280 -16.6280 -16.6260 -16.6260 -16.6228 -16.6228 -16.6219 -16.6219 -13.6574 -13.6574 -13.6559 -13.6559 -13.6506 -13.6506 -13.6472 -13.6472 -13.6352 -13.6352 -13.6344 -13.6344 -4.5538 -4.5538 -3.2835 -3.2835 -3.1494 -3.1494 -2.4857 -2.4857 -2.3848 -2.3848 3.1347 3.1347 3.4033 3.4033 3.7054 3.7054 3.8243 3.8243 4.1078 4.1078 5.6501 5.6501 6.1497 6.1497 6.9316 6.9316 7.2981 7.2981 8.6087 8.6087 9.4927 9.4927 10.5254 10.5254 11.0899 11.0899 12.0882 12.0882 k = 0.7759-0.5105-1.0731 ( 5602 PWs) bands (ev): -16.6281 -16.6281 -16.6261 -16.6261 -16.6228 -16.6228 -16.6219 -16.6219 -13.6577 -13.6577 -13.6560 -13.6560 -13.6503 -13.6503 -13.6472 -13.6472 -13.6353 -13.6353 -13.6343 -13.6343 -4.5801 -4.5801 -3.3492 -3.3492 -3.1787 -3.1787 -2.4333 -2.4333 -2.3214 -2.3214 3.1538 3.1538 3.4182 3.4182 3.6907 3.6907 3.8584 3.8584 4.1277 4.1277 5.7011 5.7011 6.1835 6.1835 6.9193 6.9193 7.2902 7.2902 8.6284 8.6284 9.4647 9.4647 10.4959 10.4959 11.0671 11.0671 12.0731 12.0731 k = 0.7692-0.4955-1.0453 ( 5608 PWs) bands (ev): -16.6281 -16.6281 -16.6262 -16.6262 -16.6227 -16.6227 -16.6218 -16.6218 -13.6579 -13.6579 -13.6561 -13.6561 -13.6500 -13.6500 -13.6472 -13.6472 -13.6354 -13.6354 -13.6343 -13.6343 -4.6098 -4.6098 -3.4154 -3.4154 -3.2060 -3.2060 -2.3811 -2.3811 -2.2566 -2.2566 3.1656 3.1656 3.4428 3.4428 3.6664 3.6664 3.9031 3.9031 4.1651 4.1651 5.7528 5.7528 6.2167 6.2167 6.8984 6.8984 7.2742 7.2742 8.6591 8.6591 9.4459 9.4459 10.4662 10.4662 11.0439 11.0439 12.0498 12.0498 k = 0.7625-0.4804-1.0176 ( 5608 PWs) bands (ev): -16.6282 -16.6282 -16.6263 -16.6263 -16.6227 -16.6227 -16.6218 -16.6218 -13.6581 -13.6581 -13.6561 -13.6561 -13.6498 -13.6498 -13.6473 -13.6473 -13.6355 -13.6355 -13.6344 -13.6344 -4.6427 -4.6427 -3.4820 -3.4820 -3.2313 -3.2313 -2.3295 -2.3295 -2.1904 -2.1904 3.1712 3.1712 3.4765 3.4765 3.6400 3.6400 3.9560 3.9560 4.2147 4.2147 5.8051 5.8051 6.2492 6.2492 6.8696 6.8696 7.2516 7.2516 8.6986 8.6986 9.4360 9.4360 10.4369 10.4369 11.0205 11.0205 12.0187 12.0187 k = 0.7558-0.4654-0.9899 ( 5620 PWs) bands (ev): -16.6282 -16.6282 -16.6265 -16.6265 -16.6227 -16.6227 -16.6218 -16.6218 -13.6583 -13.6583 -13.6562 -13.6562 -13.6495 -13.6495 -13.6473 -13.6473 -13.6356 -13.6356 -13.6344 -13.6344 -4.6785 -4.6785 -3.5488 -3.5488 -3.2549 -3.2549 -2.2785 -2.2785 -2.1228 -2.1228 3.1729 3.1729 3.5138 3.5138 3.6198 3.6198 4.0154 4.0154 4.2726 4.2726 5.8576 5.8576 6.2806 6.2806 6.8340 6.8340 7.2237 7.2237 8.7449 8.7449 9.4341 9.4341 10.4087 10.4087 10.9971 10.9971 11.9803 11.9803 k = 0.7490-0.4503-0.9622 ( 5614 PWs) bands (ev): -16.6283 -16.6283 -16.6266 -16.6266 -16.6226 -16.6226 -16.6218 -16.6218 -13.6584 -13.6584 -13.6563 -13.6563 -13.6493 -13.6493 -13.6473 -13.6473 -13.6357 -13.6357 -13.6344 -13.6344 -4.7168 -4.7168 -3.6155 -3.6155 -3.2770 -3.2770 -2.2285 -2.2285 -2.0540 -2.0540 3.1733 3.1733 3.5380 3.5380 3.6235 3.6235 4.0803 4.0803 4.3365 4.3365 5.9102 5.9102 6.3106 6.3106 6.7930 6.7930 7.1915 7.1915 8.7963 8.7963 9.4392 9.4392 10.3824 10.3824 10.9740 10.9740 11.9349 11.9349 k = 0.7423-0.4353-0.9345 ( 5602 PWs) bands (ev): -16.6283 -16.6283 -16.6267 -16.6267 -16.6226 -16.6226 -16.6218 -16.6218 -13.6586 -13.6586 -13.6563 -13.6563 -13.6491 -13.6491 -13.6473 -13.6473 -13.6359 -13.6359 -13.6345 -13.6345 -4.7574 -4.7574 -3.6820 -3.6820 -3.2978 -3.2978 -2.1797 -2.1797 -1.9840 -1.9840 3.1743 3.1743 3.5365 3.5365 3.6635 3.6635 4.1500 4.1500 4.4050 4.4050 5.9625 5.9625 6.3386 6.3386 6.7484 6.7484 7.1558 7.1558 8.8510 8.8510 9.4497 9.4497 10.3590 10.3590 10.9513 10.9513 11.8829 11.8829 k = 0.7356-0.4202-0.9067 ( 5594 PWs) bands (ev): -16.6284 -16.6284 -16.6268 -16.6268 -16.6226 -16.6226 -16.6218 -16.6218 -13.6587 -13.6587 -13.6563 -13.6563 -13.6489 -13.6489 -13.6473 -13.6473 -13.6360 -13.6360 -13.6346 -13.6346 -4.8000 -4.8000 -3.7482 -3.7482 -3.3175 -3.3175 -2.1322 -2.1322 -1.9129 -1.9129 3.1769 3.1769 3.5285 3.5285 3.7208 3.7208 4.2238 4.2238 4.4772 4.4772 6.0144 6.0144 6.3640 6.3640 6.7022 6.7022 7.1175 7.1175 8.9078 8.9078 9.4634 9.4634 10.3397 10.3397 10.9293 10.9293 11.8248 11.8248 k = 0.7288-0.4052-0.8790 ( 5592 PWs) bands (ev): -16.6285 -16.6285 -16.6269 -16.6269 -16.6226 -16.6226 -16.6217 -16.6217 -13.6588 -13.6588 -13.6563 -13.6563 -13.6488 -13.6488 -13.6473 -13.6473 -13.6362 -13.6362 -13.6346 -13.6346 -4.8441 -4.8441 -3.8139 -3.8139 -3.3365 -3.3365 -2.0863 -2.0863 -1.8409 -1.8409 3.1821 3.1821 3.5242 3.5242 3.7849 3.7849 4.3014 4.3014 4.5526 4.5526 6.0655 6.0655 6.3851 6.3851 6.6572 6.6572 7.0773 7.0773 8.9654 8.9654 9.4782 9.4782 10.3259 10.3259 10.9083 10.9083 11.7612 11.7612 k = 0.7221-0.3901-0.8513 ( 5594 PWs) bands (ev): -16.6285 -16.6285 -16.6271 -16.6271 -16.6225 -16.6225 -16.6217 -16.6217 -13.6589 -13.6589 -13.6563 -13.6563 -13.6486 -13.6486 -13.6473 -13.6473 -13.6364 -13.6364 -13.6347 -13.6347 -4.8896 -4.8896 -3.8789 -3.8789 -3.3548 -3.3548 -2.0421 -2.0421 -1.7680 -1.7680 3.1903 3.1903 3.5265 3.5265 3.8526 3.8526 4.3825 4.3825 4.6307 4.6307 6.1154 6.1154 6.3990 6.3990 6.6173 6.6173 7.0361 7.0361 9.0227 9.0227 9.4916 9.4916 10.3189 10.3189 10.8886 10.8886 11.6926 11.6926 k = 0.7154-0.3750-0.8236 ( 5604 PWs) bands (ev): -16.6286 -16.6286 -16.6272 -16.6272 -16.6225 -16.6225 -16.6217 -16.6217 -13.6589 -13.6589 -13.6563 -13.6563 -13.6485 -13.6485 -13.6473 -13.6473 -13.6366 -13.6366 -13.6349 -13.6349 -4.9359 -4.9359 -3.9431 -3.9431 -3.3728 -3.3728 -2.0000 -2.0000 -1.6943 -1.6943 3.2019 3.2019 3.5363 3.5363 3.9225 3.9225 4.4667 4.4667 4.7114 4.7114 6.1636 6.1636 6.4008 6.4008 6.5886 6.5886 6.9946 6.9946 9.0789 9.0789 9.5013 9.5013 10.3200 10.3200 10.8704 10.8704 11.6195 11.6195 k = 0.7086-0.3600-0.7959 ( 5610 PWs) bands (ev): -16.6287 -16.6287 -16.6274 -16.6274 -16.6225 -16.6225 -16.6216 -16.6216 -13.6589 -13.6589 -13.6563 -13.6563 -13.6484 -13.6484 -13.6473 -13.6473 -13.6368 -13.6368 -13.6350 -13.6350 -4.9829 -4.9829 -4.0064 -4.0064 -3.3905 -3.3905 -1.9599 -1.9599 -1.6200 -1.6200 3.2176 3.2176 3.5541 3.5541 3.9936 3.9936 4.5539 4.5539 4.7944 4.7944 6.2088 6.2088 6.3869 6.3869 6.5761 6.5761 6.9537 6.9537 9.1329 9.1329 9.5054 9.5054 10.3300 10.3300 10.8541 10.8541 11.5427 11.5427 k = 0.7019-0.3449-0.7681 ( 5624 PWs) bands (ev): -16.6287 -16.6287 -16.6275 -16.6275 -16.6225 -16.6225 -16.6216 -16.6216 -13.6589 -13.6589 -13.6563 -13.6563 -13.6483 -13.6483 -13.6473 -13.6473 -13.6370 -13.6370 -13.6352 -13.6352 -5.0303 -5.0303 -4.0687 -4.0687 -3.4080 -3.4080 -1.9221 -1.9221 -1.5453 -1.5453 3.2376 3.2376 3.5798 3.5798 4.0652 4.0652 4.6438 4.6438 4.8796 4.8796 6.2473 6.2473 6.3630 6.3630 6.5782 6.5782 6.9147 6.9147 9.1837 9.1837 9.5029 9.5029 10.3489 10.3489 10.8396 10.8396 11.4628 11.4628 k = 0.6952-0.3299-0.7404 ( 5620 PWs) bands (ev): -16.6288 -16.6288 -16.6277 -16.6277 -16.6225 -16.6225 -16.6216 -16.6216 -13.6589 -13.6589 -13.6562 -13.6562 -13.6483 -13.6483 -13.6473 -13.6473 -13.6373 -13.6373 -13.6353 -13.6353 -5.0778 -5.0778 -4.1298 -4.1298 -3.4256 -3.4256 -1.8867 -1.8867 -1.4702 -1.4702 3.2624 3.2624 3.6133 3.6133 4.1363 4.1363 4.7362 4.7362 4.9668 4.9668 6.2643 6.2643 6.3502 6.3502 6.5882 6.5882 6.8787 6.8787 9.2303 9.2303 9.4934 9.4934 10.3758 10.3758 10.8269 10.8269 11.3810 11.3810 k = 0.6885-0.3148-0.7127 ( 5616 PWs) bands (ev): -16.6289 -16.6289 -16.6278 -16.6278 -16.6225 -16.6225 -16.6215 -16.6215 -13.6589 -13.6589 -13.6562 -13.6562 -13.6482 -13.6482 -13.6473 -13.6473 -13.6375 -13.6375 -13.6355 -13.6355 -5.1252 -5.1252 -4.1897 -4.1897 -3.4432 -3.4432 -1.8538 -1.8538 -1.3949 -1.3949 3.2924 3.2924 3.6544 3.6544 4.2063 4.2063 4.8309 4.8309 5.0560 5.0560 6.2439 6.2439 6.3690 6.3690 6.6010 6.6010 6.8474 6.8474 9.2714 9.2714 9.4775 9.4775 10.4092 10.4092 10.8155 10.8155 11.2987 11.2987 k = 0.6817-0.2998-0.6850 ( 5624 PWs) bands (ev): -16.6290 -16.6290 -16.6280 -16.6280 -16.6225 -16.6225 -16.6215 -16.6215 -13.6589 -13.6589 -13.6561 -13.6561 -13.6482 -13.6482 -13.6473 -13.6473 -13.6378 -13.6378 -13.6357 -13.6357 -5.1723 -5.1723 -4.2481 -4.2481 -3.4609 -3.4609 -1.8235 -1.8235 -1.3196 -1.3196 3.3280 3.3280 3.7026 3.7026 4.2745 4.2745 4.9276 4.9276 5.1467 5.1467 6.2077 6.2077 6.3997 6.3997 6.6138 6.6138 6.8228 6.8228 9.3055 9.3055 9.4569 9.4569 10.4464 10.4464 10.8046 10.8046 11.2180 11.2180 k = 0.6750-0.2847-0.6573 ( 5626 PWs) bands (ev): -16.6291 -16.6291 -16.6281 -16.6281 -16.6225 -16.6225 -16.6215 -16.6215 -13.6588 -13.6588 -13.6561 -13.6561 -13.6482 -13.6482 -13.6472 -13.6472 -13.6380 -13.6380 -13.6359 -13.6359 -5.2188 -5.2188 -4.3052 -4.3052 -3.4786 -3.4786 -1.7957 -1.7957 -1.2445 -1.2445 3.3694 3.3694 3.7576 3.7576 4.3400 4.3400 5.0261 5.0261 5.2389 5.2389 6.1693 6.1693 6.4292 6.4292 6.6249 6.6249 6.8075 6.8075 9.3292 9.3292 9.4348 9.4348 10.4838 10.4838 10.7924 10.7924 11.1421 11.1421 k = 0.6683-0.2697-0.6295 ( 5614 PWs) bands (ev): -16.6291 -16.6291 -16.6283 -16.6283 -16.6225 -16.6225 -16.6214 -16.6214 -13.6588 -13.6588 -13.6561 -13.6561 -13.6481 -13.6481 -13.6472 -13.6472 -13.6383 -13.6383 -13.6361 -13.6361 -5.2645 -5.2645 -4.3606 -4.3606 -3.4965 -3.4965 -1.7705 -1.7705 -1.1696 -1.1696 3.4170 3.4170 3.8191 3.8191 4.4021 4.4021 5.1258 5.1258 5.3321 5.3321 6.1325 6.1325 6.4527 6.4527 6.6348 6.6348 6.8031 6.8031 9.3355 9.3355 9.4186 9.4186 10.5158 10.5158 10.7774 10.7774 11.0756 11.0756 k = 0.6615-0.2546-0.6018 ( 5614 PWs) bands (ev): -16.6292 -16.6292 -16.6284 -16.6284 -16.6226 -16.6226 -16.6214 -16.6214 -13.6587 -13.6587 -13.6560 -13.6560 -13.6481 -13.6481 -13.6471 -13.6471 -13.6386 -13.6386 -13.6363 -13.6363 -5.3095 -5.3095 -4.4145 -4.4145 -3.5145 -3.5145 -1.7479 -1.7479 -1.0953 -1.0953 3.4707 3.4707 3.8868 3.8868 4.4604 4.4604 5.2262 5.2262 5.4259 5.4259 6.0991 6.0991 6.4676 6.4676 6.6458 6.6458 6.8097 6.8097 9.3179 9.3179 9.4150 9.4150 10.5327 10.5327 10.7611 10.7611 11.0234 11.0234 k = 0.6548-0.2396-0.5741 ( 5616 PWs) bands (ev): -16.6293 -16.6293 -16.6286 -16.6286 -16.6226 -16.6226 -16.6213 -16.6213 -13.6587 -13.6587 -13.6560 -13.6560 -13.6481 -13.6481 -13.6470 -13.6470 -13.6389 -13.6389 -13.6365 -13.6365 -5.3534 -5.3534 -4.4666 -4.4666 -3.5325 -3.5325 -1.7278 -1.7278 -1.0217 -1.0217 3.5307 3.5307 3.9601 3.9601 4.5141 4.5141 5.3262 5.3262 5.5198 5.5198 6.0704 6.0704 6.4731 6.4731 6.6606 6.6606 6.8256 6.8256 9.2843 9.2843 9.4163 9.4163 10.5207 10.5207 10.7501 10.7501 10.9872 10.9872 k = 0.6481-0.2245-0.5464 ( 5624 PWs) bands (ev): -16.6294 -16.6294 -16.6288 -16.6288 -16.6226 -16.6226 -16.6213 -16.6213 -13.6587 -13.6587 -13.6560 -13.6560 -13.6480 -13.6480 -13.6469 -13.6469 -13.6391 -13.6391 -13.6367 -13.6367 -5.3961 -5.3961 -4.5170 -4.5170 -3.5505 -3.5505 -1.7101 -1.7101 -0.9490 -0.9490 3.5970 3.5970 4.0388 4.0388 4.5629 4.5629 5.4243 5.4243 5.6133 5.6133 6.0480 6.0480 6.4715 6.4715 6.6798 6.6798 6.8488 6.8488 9.2428 9.2428 9.4147 9.4147 10.4750 10.4750 10.7449 10.7449 10.9650 10.9650 k = 0.6413-0.2095-0.5187 ( 5614 PWs) bands (ev): -16.6295 -16.6295 -16.6289 -16.6289 -16.6226 -16.6226 -16.6213 -16.6213 -13.6587 -13.6587 -13.6561 -13.6561 -13.6480 -13.6480 -13.6468 -13.6468 -13.6394 -13.6394 -13.6369 -13.6369 -5.4376 -5.4376 -4.5655 -4.5655 -3.5684 -3.5684 -1.6948 -1.6948 -0.8774 -0.8774 3.6693 3.6693 4.1225 4.1225 4.6065 4.6065 5.5180 5.5180 5.7058 5.7058 6.0335 6.0335 6.4662 6.4662 6.7026 6.7026 6.8781 6.8781 9.1963 9.1963 9.4072 9.4072 10.4052 10.4052 10.7289 10.7289 10.9564 10.9564 k = 0.6346-0.1944-0.4909 ( 5616 PWs) bands (ev): -16.6296 -16.6296 -16.6291 -16.6291 -16.6226 -16.6226 -16.6212 -16.6212 -13.6587 -13.6587 -13.6561 -13.6561 -13.6479 -13.6479 -13.6467 -13.6467 -13.6397 -13.6397 -13.6371 -13.6371 -5.4777 -5.4777 -4.6121 -4.6121 -3.5862 -3.5862 -1.6816 -1.6816 -0.8071 -0.8071 3.7477 3.7477 4.2108 4.2108 4.6445 4.6445 5.6031 5.6031 5.7970 5.7970 6.0294 6.0294 6.4606 6.4606 6.7280 6.7280 6.9125 6.9125 9.1457 9.1457 9.3926 9.3926 10.3226 10.3226 10.6865 10.6865 10.9628 10.9628 k = 0.6279-0.1793-0.4632 ( 5614 PWs) bands (ev): -16.6297 -16.6297 -16.6292 -16.6292 -16.6226 -16.6226 -16.6212 -16.6212 -13.6587 -13.6587 -13.6562 -13.6562 -13.6478 -13.6478 -13.6466 -13.6466 -13.6399 -13.6399 -13.6373 -13.6373 -5.5163 -5.5163 -4.6568 -4.6568 -3.6037 -3.6037 -1.6705 -1.6705 -0.7384 -0.7384 3.8318 3.8318 4.3031 4.3031 4.6773 4.6773 5.6747 5.6747 5.8867 5.8867 6.0389 6.0389 6.4571 6.4571 6.7559 6.7559 6.9516 6.9516 9.0913 9.0913 9.3706 9.3706 10.2340 10.2340 10.6186 10.6186 10.9797 10.9797 k = 0.6211-0.1643-0.4355 ( 5614 PWs) bands (ev): -16.6298 -16.6298 -16.6294 -16.6294 -16.6226 -16.6226 -16.6211 -16.6211 -13.6587 -13.6587 -13.6562 -13.6562 -13.6477 -13.6477 -13.6464 -13.6464 -13.6402 -13.6402 -13.6375 -13.6375 -5.5533 -5.5533 -4.6994 -4.6994 -3.6210 -3.6210 -1.6613 -1.6613 -0.6714 -0.6714 3.9214 3.9214 4.3989 4.3989 4.7051 4.7051 5.7281 5.7281 5.9738 5.9738 6.0644 6.0644 6.4575 6.4575 6.7867 6.7867 6.9954 6.9954 9.0328 9.0328 9.3407 9.3407 10.1434 10.1434 10.5353 10.5353 10.9994 10.9994 k = 0.6144-0.1492-0.4078 ( 5616 PWs) bands (ev): -16.6299 -16.6299 -16.6295 -16.6295 -16.6226 -16.6226 -16.6211 -16.6211 -13.6587 -13.6587 -13.6563 -13.6563 -13.6476 -13.6476 -13.6462 -13.6462 -13.6404 -13.6404 -13.6377 -13.6377 -5.5888 -5.5888 -4.7400 -4.7400 -3.6379 -3.6379 -1.6538 -1.6538 -0.6064 -0.6064 4.0162 4.0162 4.4968 4.4968 4.7291 4.7291 5.7636 5.7636 6.0510 6.0510 6.1095 6.1095 6.4630 6.4630 6.8216 6.8216 7.0440 7.0440 8.9700 8.9700 9.3026 9.3026 10.0536 10.0536 10.4453 10.4453 11.0153 11.0153 k = 0.6077-0.1342-0.3801 ( 5620 PWs) bands (ev): -16.6300 -16.6300 -16.6297 -16.6297 -16.6226 -16.6226 -16.6211 -16.6211 -13.6588 -13.6588 -13.6564 -13.6564 -13.6475 -13.6475 -13.6461 -13.6461 -13.6407 -13.6407 -13.6379 -13.6379 -5.6225 -5.6225 -4.7785 -4.7785 -3.6543 -3.6543 -1.6479 -1.6479 -0.5437 -0.5437 4.1158 4.1158 4.5939 4.5939 4.7523 4.7523 5.7861 5.7861 6.1052 6.1052 6.1794 6.1794 6.4741 6.4741 6.8619 6.8619 7.0974 7.0974 8.9025 8.9025 9.2557 9.2557 9.9666 9.9666 10.3545 10.3545 11.0221 11.0221 k = 0.6010-0.1191-0.3523 ( 5622 PWs) bands (ev): -16.6301 -16.6301 -16.6298 -16.6298 -16.6226 -16.6226 -16.6210 -16.6210 -13.6589 -13.6589 -13.6565 -13.6565 -13.6473 -13.6473 -13.6459 -13.6459 -13.6409 -13.6409 -13.6381 -13.6381 -5.6544 -5.6544 -4.8148 -4.8148 -3.6702 -3.6702 -1.6433 -1.6433 -0.4834 -0.4834 4.2195 4.2195 4.6787 4.6787 4.7865 4.7865 5.8012 5.8012 6.1430 6.1430 6.2592 6.2592 6.4900 6.4900 6.9089 6.9089 7.1558 7.1558 8.8300 8.8300 9.1999 9.1999 9.8841 9.8841 10.2670 10.2670 11.0160 11.0160 k = 0.5942-0.1041-0.3246 ( 5622 PWs) bands (ev): -16.6302 -16.6302 -16.6299 -16.6299 -16.6226 -16.6226 -16.6210 -16.6210 -13.6590 -13.6590 -13.6567 -13.6567 -13.6472 -13.6472 -13.6457 -13.6457 -13.6411 -13.6411 -13.6382 -13.6382 -5.6845 -5.6845 -4.8489 -4.8489 -3.6854 -3.6854 -1.6399 -1.6399 -0.4257 -0.4257 4.3266 4.3266 4.7257 4.7257 4.8574 4.8574 5.8129 5.8129 6.1718 6.1718 6.3368 6.3368 6.5092 6.5092 6.9635 6.9635 7.2187 7.2187 8.7524 8.7524 9.1350 9.1350 9.8074 9.8074 10.1852 10.1852 10.9970 10.9970 k = 0.5875-0.0890-0.2969 ( 5618 PWs) bands (ev): -16.6303 -16.6303 -16.6301 -16.6301 -16.6226 -16.6226 -16.6210 -16.6210 -13.6591 -13.6591 -13.6568 -13.6568 -13.6471 -13.6471 -13.6455 -13.6455 -13.6413 -13.6413 -13.6384 -13.6384 -5.7128 -5.7128 -4.8809 -4.8809 -3.7000 -3.7000 -1.6376 -1.6376 -0.3709 -0.3709 4.4359 4.4359 4.7446 4.7446 4.9563 4.9563 5.8237 5.8237 6.1938 6.1938 6.4083 6.4083 6.5293 6.5293 7.0252 7.0252 7.2857 7.2857 8.6703 8.6703 9.0616 9.0616 9.7378 9.7378 10.1109 10.1109 10.9676 10.9676 k = 0.5808-0.0740-0.2692 ( 5616 PWs) bands (ev): -16.6304 -16.6304 -16.6302 -16.6302 -16.6226 -16.6226 -16.6209 -16.6209 -13.6592 -13.6592 -13.6570 -13.6570 -13.6469 -13.6469 -13.6453 -13.6453 -13.6415 -13.6415 -13.6385 -13.6385 -5.7391 -5.7391 -4.9105 -4.9105 -3.7138 -3.7138 -1.6362 -1.6362 -0.3193 -0.3193 4.5440 4.5440 4.7575 4.7575 5.0634 5.0634 5.8350 5.8350 6.2104 6.2104 6.4720 6.4720 6.5488 6.5488 7.0924 7.0924 7.3554 7.3554 8.5845 8.5845 8.9808 8.9808 9.6758 9.6758 10.0450 10.0450 10.9302 10.9302 k = 0.5740-0.0589-0.2415 ( 5622 PWs) bands (ev): -16.6304 -16.6304 -16.6303 -16.6303 -16.6226 -16.6226 -16.6209 -16.6209 -13.6593 -13.6593 -13.6571 -13.6571 -13.6468 -13.6468 -13.6451 -13.6451 -13.6417 -13.6417 -13.6387 -13.6387 -5.7634 -5.7634 -4.9379 -4.9379 -3.7268 -3.7268 -1.6354 -1.6354 -0.2709 -0.2709 4.6397 4.6397 4.7808 4.7808 5.1724 5.1724 5.8480 5.8480 6.2232 6.2232 6.5261 6.5261 6.5684 6.5684 7.1619 7.1619 7.4259 7.4259 8.4968 8.4968 8.8949 8.8949 9.6218 9.6218 9.9878 9.9878 10.8865 10.8865 k = 0.5673-0.0439-0.2137 ( 5618 PWs) bands (ev): -16.6305 -16.6305 -16.6304 -16.6304 -16.6226 -16.6226 -16.6209 -16.6209 -13.6595 -13.6595 -13.6572 -13.6572 -13.6466 -13.6466 -13.6449 -13.6449 -13.6418 -13.6418 -13.6388 -13.6388 -5.7857 -5.7857 -4.9630 -4.9630 -3.7389 -3.7389 -1.6352 -1.6352 -0.2260 -0.2260 4.6937 4.6937 4.8452 4.8452 5.2804 5.2804 5.8638 5.8638 6.2331 6.2331 6.5623 6.5623 6.5967 6.5967 7.2291 7.2291 7.4946 7.4946 8.4100 8.4100 8.8069 8.8069 9.5755 9.5755 9.9392 9.9392 10.8382 10.8382 k = 0.5606-0.0288-0.1860 ( 5618 PWs) bands (ev): -16.6306 -16.6306 -16.6305 -16.6305 -16.6226 -16.6226 -16.6208 -16.6208 -13.6596 -13.6596 -13.6574 -13.6574 -13.6465 -13.6465 -13.6447 -13.6447 -13.6420 -13.6420 -13.6389 -13.6389 -5.8060 -5.8060 -4.9858 -4.9858 -3.7500 -3.7500 -1.6355 -1.6355 -0.1847 -0.1847 4.7086 4.7086 4.9480 4.9480 5.3842 5.3842 5.8841 5.8841 6.2407 6.2407 6.5784 6.5784 6.6369 6.6369 7.2885 7.2885 7.5576 7.5576 8.3283 8.3283 8.7210 8.7210 9.5361 9.5361 9.8991 9.8991 10.7869 10.7869 k = 0.5538-0.0137-0.1583 ( 5618 PWs) bands (ev): -16.6307 -16.6307 -16.6306 -16.6306 -16.6226 -16.6226 -16.6208 -16.6208 -13.6597 -13.6597 -13.6575 -13.6575 -13.6464 -13.6464 -13.6445 -13.6445 -13.6421 -13.6421 -13.6390 -13.6390 -5.8243 -5.8243 -5.0062 -5.0062 -3.7601 -3.7601 -1.6361 -1.6361 -0.1474 -0.1474 4.7107 4.7107 5.0627 5.0627 5.4801 5.4801 5.9115 5.9115 6.2462 6.2462 6.5875 6.5875 6.6776 6.6776 7.3335 7.3335 7.6100 7.6100 8.2572 8.2572 8.6427 8.6427 9.5027 9.5027 9.8676 9.8676 10.7342 10.7342 k = 0.5471 0.0013-0.1306 ( 5614 PWs) bands (ev): -16.6307 -16.6307 -16.6306 -16.6306 -16.6226 -16.6226 -16.6208 -16.6208 -13.6598 -13.6598 -13.6576 -13.6576 -13.6463 -13.6463 -13.6443 -13.6443 -13.6423 -13.6423 -13.6391 -13.6391 -5.8404 -5.8404 -5.0243 -5.0243 -3.7691 -3.7691 -1.6368 -1.6368 -0.1140 -0.1140 4.7089 4.7089 5.1796 5.1796 5.5634 5.5634 5.9492 5.9492 6.2496 6.2496 6.5935 6.5935 6.7163 6.7163 7.3569 7.3569 7.6456 7.6456 8.2029 8.2029 8.5785 8.5785 9.4738 9.4738 9.8449 9.8449 10.6816 10.6816 k = 0.5404 0.0164-0.1029 ( 5618 PWs) bands (ev): -16.6308 -16.6308 -16.6307 -16.6307 -16.6226 -16.6226 -16.6208 -16.6208 -13.6599 -13.6599 -13.6578 -13.6578 -13.6461 -13.6461 -13.6441 -13.6441 -13.6424 -13.6424 -13.6392 -13.6392 -5.8545 -5.8545 -5.0400 -5.0400 -3.7770 -3.7770 -1.6377 -1.6377 -0.0848 -0.0848 4.7056 4.7056 5.2949 5.2949 5.6295 5.6295 5.9996 5.9996 6.2508 6.2508 6.5981 6.5981 6.7533 6.7533 7.3536 7.3536 7.6594 7.6594 8.1694 8.1694 8.5347 8.5347 9.4480 9.4480 9.8317 9.8317 10.6302 10.6302 k = 0.5337 0.0314-0.0751 ( 5618 PWs) bands (ev): -16.6308 -16.6308 -16.6308 -16.6308 -16.6226 -16.6226 -16.6207 -16.6207 -13.6600 -13.6600 -13.6579 -13.6579 -13.6461 -13.6461 -13.6439 -13.6439 -13.6425 -13.6425 -13.6393 -13.6393 -5.8664 -5.8664 -5.0533 -5.0533 -3.7837 -3.7837 -1.6386 -1.6386 -0.0598 -0.0598 4.7019 4.7019 5.4057 5.4057 5.6773 5.6773 6.0612 6.0612 6.2495 6.2495 6.6029 6.6029 6.7889 6.7889 7.3233 7.3233 7.6503 7.6503 8.1552 8.1552 8.5150 8.5150 9.4242 9.4242 9.8281 9.8281 10.5795 10.5795 k = 0.5269 0.0465-0.0474 ( 5600 PWs) bands (ev): -16.6309 -16.6309 -16.6308 -16.6308 -16.6226 -16.6226 -16.6207 -16.6207 -13.6601 -13.6601 -13.6579 -13.6579 -13.6460 -13.6460 -13.6438 -13.6438 -13.6426 -13.6426 -13.6393 -13.6393 -5.8761 -5.8761 -5.0642 -5.0642 -3.7893 -3.7893 -1.6394 -1.6394 -0.0393 -0.0393 4.6984 4.6984 5.5087 5.5087 5.7094 5.7094 6.1268 6.1268 6.2463 6.2463 6.6099 6.6099 6.8232 6.8232 7.2717 7.2717 7.6221 7.6221 8.1543 8.1543 8.5174 8.5174 9.4016 9.4016 9.8340 9.8340 10.5254 10.5254 k = 0.5202 0.0615-0.0197 ( 5600 PWs) bands (ev): -16.6309 -16.6309 -16.6308 -16.6308 -16.6226 -16.6226 -16.6207 -16.6207 -13.6602 -13.6602 -13.6580 -13.6580 -13.6459 -13.6459 -13.6437 -13.6437 -13.6427 -13.6427 -13.6394 -13.6394 -5.8837 -5.8837 -5.0727 -5.0727 -3.7937 -3.7937 -1.6401 -1.6401 -0.0232 -0.0232 4.6954 4.6954 5.5998 5.5998 5.7300 5.7300 6.1840 6.1840 6.2445 6.2445 6.6213 6.6213 6.8553 6.8553 7.2090 7.2090 7.5832 7.5832 8.1601 8.1601 8.5339 8.5339 9.3807 9.3807 9.8475 9.8475 10.4660 10.4660 k = 0.5135 0.0766 0.0080 ( 5596 PWs) bands (ev): -16.6309 -16.6309 -16.6309 -16.6309 -16.6226 -16.6226 -16.6207 -16.6207 -13.6602 -13.6602 -13.6581 -13.6581 -13.6459 -13.6459 -13.6435 -13.6435 -13.6428 -13.6428 -13.6394 -13.6394 -5.8892 -5.8892 -5.0787 -5.0787 -3.7968 -3.7968 -1.6406 -1.6406 -0.0117 -0.0117 4.6931 4.6931 5.6735 5.6735 5.7426 5.7426 6.2091 6.2091 6.2603 6.2603 6.6378 6.6378 6.8831 6.8831 7.1468 7.1468 7.5436 7.5436 8.1677 8.1677 8.5548 8.5548 9.3632 9.3632 9.8649 9.8649 10.4111 10.4111 k = 0.5067 0.0916 0.0357 ( 5582 PWs) bands (ev): -16.6309 -16.6309 -16.6309 -16.6309 -16.6226 -16.6226 -16.6207 -16.6207 -13.6603 -13.6603 -13.6581 -13.6581 -13.6458 -13.6458 -13.6435 -13.6435 -13.6429 -13.6429 -13.6394 -13.6394 -5.8924 -5.8924 -5.0824 -5.0824 -3.7987 -3.7987 -1.6410 -1.6410 -0.0047 -0.0047 4.6917 4.6917 5.7233 5.7233 5.7487 5.7487 6.2075 6.2075 6.2850 6.2850 6.6552 6.6552 6.9031 6.9031 7.0988 7.0988 7.5140 7.5140 8.1735 8.1735 8.5713 8.5713 9.3512 9.3512 9.8801 9.8801 10.3722 10.3722 k = 0.5000 0.1067 0.0635 ( 5584 PWs) bands (ev): -16.6310 -16.6310 -16.6309 -16.6309 -16.6226 -16.6226 -16.6207 -16.6207 -13.6603 -13.6603 -13.6581 -13.6581 -13.6458 -13.6458 -13.6434 -13.6434 -13.6429 -13.6429 -13.6394 -13.6394 -5.8935 -5.8935 -5.0836 -5.0836 -3.7993 -3.7993 -1.6411 -1.6411 -0.0024 -0.0024 4.6912 4.6912 5.7441 5.7441 5.7475 5.7475 6.2052 6.2052 6.2945 6.2945 6.6631 6.6631 6.9106 6.9106 7.0801 7.0801 7.5030 7.5030 8.1756 8.1756 8.5775 8.5775 9.3469 9.3469 9.8863 9.8863 10.3579 10.3579 k = 0.5000 0.1067 0.0635 ( 5584 PWs) bands (ev): -16.6310 -16.6310 -16.6309 -16.6309 -16.6226 -16.6226 -16.6207 -16.6207 -13.6603 -13.6603 -13.6581 -13.6581 -13.6458 -13.6458 -13.6434 -13.6434 -13.6429 -13.6429 -13.6394 -13.6394 -5.8935 -5.8935 -5.0836 -5.0836 -3.7993 -3.7993 -1.6411 -1.6411 -0.0024 -0.0024 4.6912 4.6912 5.7441 5.7441 5.7475 5.7475 6.2052 6.2052 6.2945 6.2945 6.6631 6.6631 6.9106 6.9106 7.0801 7.0801 7.5030 7.5030 8.1756 8.1756 8.5775 8.5775 9.3469 9.3469 9.8863 9.8863 10.3579 10.3579 k = 0.4688 0.1000 0.0595 ( 5578 PWs) bands (ev): -16.6310 -16.6310 -16.6309 -16.6309 -16.6226 -16.6226 -16.6207 -16.6207 -13.6603 -13.6603 -13.6581 -13.6581 -13.6458 -13.6458 -13.6434 -13.6434 -13.6429 -13.6429 -13.6394 -13.6394 -5.8942 -5.8942 -5.0813 -5.0813 -3.8029 -3.8029 -1.6361 -1.6361 -0.0062 -0.0062 4.6937 4.6937 5.7179 5.7179 5.7723 5.7723 6.2052 6.2052 6.2970 6.2970 6.6600 6.6600 6.9077 6.9077 7.0835 7.0835 7.5043 7.5043 8.1714 8.1714 8.5827 8.5827 9.3427 9.3427 9.8799 9.8799 10.3603 10.3603 k = 0.4375 0.0933 0.0555 ( 5599 PWs) bands (ev): -16.6310 -16.6310 -16.6309 -16.6309 -16.6226 -16.6226 -16.6207 -16.6207 -13.6603 -13.6603 -13.6581 -13.6581 -13.6458 -13.6458 -13.6434 -13.6434 -13.6429 -13.6429 -13.6394 -13.6394 -5.8962 -5.8962 -5.0744 -5.0744 -3.8136 -3.8136 -1.6215 -1.6215 -0.0175 -0.0175 4.7013 4.7013 5.6887 5.6887 5.7974 5.7974 6.2055 6.2055 6.3045 6.3045 6.6508 6.6508 6.8996 6.8996 7.0930 7.0930 7.5078 7.5078 8.1596 8.1596 8.5973 8.5973 9.3303 9.3303 9.8617 9.8617 10.3672 10.3672 k = 0.4062 0.0867 0.0516 ( 5599 PWs) bands (ev): -16.6310 -16.6310 -16.6309 -16.6309 -16.6226 -16.6226 -16.6207 -16.6207 -13.6603 -13.6603 -13.6581 -13.6581 -13.6458 -13.6458 -13.6434 -13.6434 -13.6429 -13.6429 -13.6394 -13.6394 -5.8994 -5.8994 -5.0630 -5.0630 -3.8310 -3.8310 -1.5975 -1.5975 -0.0362 -0.0362 4.7137 4.7137 5.6580 5.6580 5.8215 5.8215 6.2059 6.2059 6.3165 6.3165 6.6360 6.6360 6.8880 6.8880 7.1071 7.1071 7.5129 7.5129 8.1429 8.1429 8.6191 8.6191 9.3104 9.3104 9.8341 9.8341 10.3782 10.3782 k = 0.3750 0.0800 0.0476 ( 5611 PWs) bands (ev): -16.6310 -16.6310 -16.6309 -16.6309 -16.6226 -16.6226 -16.6207 -16.6207 -13.6603 -13.6603 -13.6581 -13.6581 -13.6458 -13.6458 -13.6434 -13.6434 -13.6429 -13.6429 -13.6394 -13.6394 -5.9036 -5.9036 -5.0475 -5.0475 -3.8545 -3.8545 -1.5647 -1.5647 -0.0621 -0.0621 4.7309 4.7309 5.6259 5.6259 5.8450 5.8450 6.2064 6.2064 6.3324 6.3324 6.6164 6.6164 6.8743 6.8743 7.1240 7.1240 7.5183 7.5183 8.1243 8.1243 8.6458 8.6458 9.2838 9.2838 9.8002 9.8002 10.3925 10.3925 k = 0.3438 0.0733 0.0436 ( 5617 PWs) bands (ev): -16.6310 -16.6310 -16.6309 -16.6309 -16.6226 -16.6226 -16.6207 -16.6207 -13.6603 -13.6603 -13.6581 -13.6581 -13.6458 -13.6458 -13.6434 -13.6434 -13.6429 -13.6429 -13.6394 -13.6394 -5.9086 -5.9086 -5.0282 -5.0282 -3.8833 -3.8833 -1.5238 -1.5238 -0.0948 -0.0948 4.7523 4.7523 5.5925 5.5925 5.8681 5.8681 6.2071 6.2071 6.3513 6.3513 6.5928 6.5928 6.8597 6.8597 7.1426 7.1426 7.5225 7.5225 8.1067 8.1067 8.6752 8.6752 9.2518 9.2518 9.7625 9.7625 10.4090 10.4090 k = 0.3125 0.0667 0.0397 ( 5620 PWs) bands (ev): -16.6310 -16.6310 -16.6309 -16.6309 -16.6226 -16.6226 -16.6207 -16.6207 -13.6603 -13.6603 -13.6581 -13.6581 -13.6458 -13.6458 -13.6434 -13.6434 -13.6429 -13.6429 -13.6394 -13.6394 -5.9141 -5.9141 -5.0055 -5.0055 -3.9166 -3.9166 -1.4757 -1.4757 -0.1340 -0.1340 4.7778 4.7778 5.5580 5.5580 5.8913 5.8913 6.2078 6.2078 6.3721 6.3721 6.5666 6.5666 6.8450 6.8450 7.1619 7.1619 7.5239 7.5239 8.0927 8.0927 8.7055 8.7055 9.2156 9.2156 9.7231 9.7231 10.4269 10.4269 k = 0.2812 0.0600 0.0357 ( 5621 PWs) bands (ev): -16.6310 -16.6310 -16.6309 -16.6309 -16.6226 -16.6226 -16.6207 -16.6207 -13.6603 -13.6603 -13.6581 -13.6581 -13.6458 -13.6458 -13.6434 -13.6434 -13.6429 -13.6429 -13.6394 -13.6394 -5.9200 -5.9200 -4.9799 -4.9799 -3.9533 -3.9533 -1.4213 -1.4213 -0.1792 -0.1792 4.8068 4.8068 5.5224 5.5224 5.9148 5.9148 6.2086 6.2086 6.3925 6.3925 6.5397 6.5397 6.8307 6.8307 7.1813 7.1813 7.5214 7.5214 8.0841 8.0841 8.7355 8.7355 9.1764 9.1764 9.6839 9.6839 10.4454 10.4454 k = 0.2500 0.0533 0.0317 ( 5615 PWs) bands (ev): -16.6310 -16.6310 -16.6309 -16.6309 -16.6226 -16.6226 -16.6207 -16.6207 -13.6603 -13.6603 -13.6581 -13.6581 -13.6458 -13.6458 -13.6434 -13.6434 -13.6430 -13.6430 -13.6394 -13.6394 -5.9259 -5.9259 -4.9520 -4.9520 -3.9924 -3.9924 -1.3615 -1.3615 -0.2300 -0.2300 4.8389 4.8389 5.4859 5.4859 5.9391 5.9391 6.2095 6.2095 6.4082 6.4082 6.5165 6.5165 6.8173 6.8173 7.2000 7.2000 7.5143 7.5143 8.0817 8.0817 8.7642 8.7642 9.1355 9.1355 9.6459 9.6459 10.4636 10.4636 k = 0.2188 0.0467 0.0278 ( 5600 PWs) bands (ev): -16.6310 -16.6310 -16.6309 -16.6309 -16.6226 -16.6226 -16.6207 -16.6207 -13.6603 -13.6603 -13.6581 -13.6581 -13.6458 -13.6458 -13.6434 -13.6434 -13.6430 -13.6430 -13.6394 -13.6394 -5.9316 -5.9316 -4.9225 -4.9225 -4.0327 -4.0327 -1.2969 -1.2969 -0.2858 -0.2858 4.8736 4.8736 5.4486 5.4486 5.9644 5.9644 6.2104 6.2104 6.4095 6.4095 6.5063 6.5063 6.8049 6.8049 7.2178 7.2178 7.5028 7.5028 8.0856 8.0856 8.7910 8.7910 9.0942 9.0942 9.6103 9.6103 10.4809 10.4809 k = 0.1875 0.0400 0.0238 ( 5597 PWs) bands (ev): -16.6310 -16.6310 -16.6309 -16.6309 -16.6226 -16.6226 -16.6207 -16.6207 -13.6603 -13.6603 -13.6581 -13.6581 -13.6458 -13.6458 -13.6434 -13.6434 -13.6430 -13.6430 -13.6394 -13.6394 -5.9370 -5.9370 -4.8921 -4.8921 -4.0732 -4.0732 -1.2286 -1.2286 -0.3462 -0.3462 4.9104 4.9104 5.4105 5.4105 5.9908 5.9908 6.2112 6.2112 6.3911 6.3911 6.5143 6.5143 6.7939 6.7939 7.2341 7.2341 7.4878 7.4878 8.0948 8.0948 8.8152 8.8152 9.0537 9.0537 9.5779 9.5779 10.4968 10.4968 k = 0.1562 0.0333 0.0198 ( 5603 PWs) bands (ev): -16.6310 -16.6310 -16.6309 -16.6309 -16.6226 -16.6226 -16.6207 -16.6207 -13.6603 -13.6603 -13.6581 -13.6581 -13.6458 -13.6458 -13.6435 -13.6435 -13.6430 -13.6430 -13.6394 -13.6394 -5.9419 -5.9419 -4.8620 -4.8620 -4.1125 -4.1125 -1.1573 -1.1573 -0.4105 -0.4105 4.9489 4.9489 5.3718 5.3718 6.0185 6.0185 6.2120 6.2120 6.3612 6.3612 6.5315 6.5315 6.7843 6.7843 7.2487 7.2487 7.4708 7.4708 8.1077 8.1077 8.8365 8.8365 9.0154 9.0154 9.5493 9.5493 10.5109 10.5109 k = 0.1250 0.0267 0.0159 ( 5621 PWs) bands (ev): -16.6310 -16.6310 -16.6309 -16.6309 -16.6226 -16.6226 -16.6207 -16.6207 -13.6603 -13.6603 -13.6581 -13.6581 -13.6458 -13.6458 -13.6435 -13.6435 -13.6430 -13.6430 -13.6394 -13.6394 -5.9461 -5.9461 -4.8333 -4.8333 -4.1490 -4.1490 -1.0837 -1.0837 -0.4782 -0.4782 4.9883 4.9883 5.3327 5.3327 6.0475 6.0475 6.2127 6.2127 6.3269 6.3269 6.5505 6.5505 6.7763 6.7763 7.2611 7.2611 7.4535 7.4535 8.1224 8.1224 8.8545 8.8545 8.9806 8.9806 9.5251 9.5251 10.5228 10.5228 k = 0.0938 0.0200 0.0119 ( 5627 PWs) bands (ev): -16.6310 -16.6310 -16.6309 -16.6309 -16.6226 -16.6226 -16.6207 -16.6207 -13.6603 -13.6603 -13.6581 -13.6581 -13.6458 -13.6458 -13.6435 -13.6435 -13.6430 -13.6430 -13.6394 -13.6394 -5.9494 -5.9494 -4.8077 -4.8077 -4.1809 -4.1809 -1.0086 -1.0086 -0.5486 -0.5486 5.0282 5.0282 5.2935 5.2935 6.0778 6.0778 6.2133 6.2133 6.2912 6.2912 6.5677 6.5677 6.7699 6.7699 7.2710 7.2710 7.4378 7.4378 8.1369 8.1369 8.8692 8.8692 8.9508 8.9508 9.5059 9.5059 10.5323 10.5323 k = 0.0625 0.0133 0.0079 ( 5624 PWs) bands (ev): -16.6310 -16.6310 -16.6309 -16.6309 -16.6226 -16.6226 -16.6207 -16.6207 -13.6603 -13.6603 -13.6581 -13.6581 -13.6458 -13.6458 -13.6435 -13.6435 -13.6430 -13.6430 -13.6394 -13.6394 -5.9519 -5.9519 -4.7871 -4.7871 -4.2060 -4.2060 -0.9330 -0.9330 -0.6208 -0.6208 5.0672 5.0672 5.2552 5.2552 6.1090 6.1090 6.2137 6.2137 6.2554 6.2554 6.5812 6.5812 6.7654 6.7654 7.2783 7.2783 7.4252 7.4252 8.1490 8.1490 8.8807 8.8807 8.9272 8.9272 9.4918 9.4918 10.5392 10.5392 k = 0.0312 0.0067 0.0040 ( 5630 PWs) bands (ev): -16.6310 -16.6310 -16.6309 -16.6309 -16.6226 -16.6226 -16.6207 -16.6207 -13.6603 -13.6603 -13.6581 -13.6581 -13.6458 -13.6458 -13.6435 -13.6435 -13.6430 -13.6430 -13.6394 -13.6394 -5.9534 -5.9534 -4.7737 -4.7737 -4.2223 -4.2223 -0.8589 -0.8589 -0.6928 -0.6928 5.1022 5.1022 5.2206 5.2206 6.1400 6.1400 6.2140 6.2140 6.2217 6.2217 6.5898 6.5898 6.7626 6.7626 7.2828 7.2828 7.4170 7.4170 8.1571 8.1571 8.8897 8.8897 8.9103 8.9103 9.4833 9.4833 10.5434 10.5434 k = 0.0000 0.0000 0.0000 ( 5639 PWs) bands (ev): -16.6310 -16.6310 -16.6309 -16.6309 -16.6226 -16.6226 -16.6207 -16.6207 -13.6603 -13.6603 -13.6581 -13.6581 -13.6458 -13.6458 -13.6435 -13.6435 -13.6430 -13.6430 -13.6394 -13.6394 -5.9539 -5.9539 -4.7690 -4.7690 -4.2280 -4.2280 -0.8073 -0.8073 -0.7437 -0.7437 5.1200 5.1200 5.2030 5.2030 6.1597 6.1597 6.2010 6.2010 6.2141 6.2141 6.5928 6.5928 6.7617 6.7617 7.2843 7.2843 7.4142 7.4142 8.1599 8.1599 8.8967 8.8967 8.9005 8.9005 9.4804 9.4804 10.5448 10.5448 k = 0.0000 0.0000 0.0000 ( 5639 PWs) bands (ev): -16.6310 -16.6310 -16.6309 -16.6309 -16.6226 -16.6226 -16.6207 -16.6207 -13.6603 -13.6603 -13.6581 -13.6581 -13.6458 -13.6458 -13.6435 -13.6435 -13.6430 -13.6430 -13.6394 -13.6394 -5.9539 -5.9539 -4.7690 -4.7690 -4.2280 -4.2280 -0.8073 -0.8073 -0.7437 -0.7437 5.1200 5.1200 5.2030 5.2030 6.1597 6.1597 6.2010 6.2010 6.2141 6.2141 6.5928 6.5928 6.7617 6.7617 7.2843 7.2843 7.4142 7.4142 8.1599 8.1599 8.8967 8.8967 8.9005 8.9005 9.4804 9.4804 10.5448 10.5448 k = 0.0068-0.0151-0.0279 ( 5623 PWs) bands (ev): -16.6310 -16.6310 -16.6309 -16.6309 -16.6226 -16.6226 -16.6207 -16.6207 -13.6602 -13.6602 -13.6581 -13.6581 -13.6458 -13.6458 -13.6435 -13.6435 -13.6429 -13.6429 -13.6394 -13.6394 -5.9528 -5.9528 -4.7678 -4.7678 -4.2272 -4.2272 -0.8080 -0.8080 -0.7449 -0.7449 5.1081 5.1081 5.2033 5.2033 6.1266 6.1266 6.2013 6.2013 6.2479 6.2479 6.5812 6.5812 6.7682 6.7682 7.2318 7.2318 7.4587 7.4587 8.1581 8.1581 8.8848 8.8848 8.9235 8.9235 9.4917 9.4917 10.5458 10.5458 k = 0.0135-0.0303-0.0558 ( 5613 PWs) bands (ev): -16.6309 -16.6309 -16.6309 -16.6309 -16.6226 -16.6226 -16.6207 -16.6207 -13.6602 -13.6602 -13.6581 -13.6581 -13.6458 -13.6458 -13.6436 -13.6436 -13.6429 -13.6429 -13.6394 -13.6394 -5.9494 -5.9494 -4.7642 -4.7642 -4.2249 -4.2249 -0.8099 -0.8099 -0.7484 -0.7484 5.0772 5.0772 5.1996 5.1996 6.0798 6.0798 6.1959 6.1959 6.3019 6.3019 6.5494 6.5494 6.7855 6.7855 7.1420 7.1420 7.5237 7.5237 8.1560 8.1560 8.8748 8.8748 8.9652 8.9652 9.5250 9.5250 10.5487 10.5487 k = 0.0203-0.0454-0.0836 ( 5617 PWs) bands (ev): -16.6309 -16.6309 -16.6308 -16.6308 -16.6226 -16.6226 -16.6207 -16.6207 -13.6602 -13.6602 -13.6580 -13.6580 -13.6459 -13.6459 -13.6437 -13.6437 -13.6428 -13.6428 -13.6393 -13.6393 -5.9437 -5.9437 -4.7583 -4.7583 -4.2210 -4.2210 -0.8132 -0.8132 -0.7543 -0.7543 5.0346 5.0346 5.1861 5.1861 6.0352 6.0352 6.1845 6.1845 6.3542 6.3542 6.5055 6.5055 6.8097 6.8097 7.0490 7.0490 7.5730 7.5730 8.1610 8.1610 8.8642 8.8642 9.0246 9.0246 9.5783 9.5783 10.5532 10.5532 k = 0.0271-0.0606-0.1115 ( 5617 PWs) bands (ev): -16.6309 -16.6309 -16.6308 -16.6308 -16.6226 -16.6226 -16.6207 -16.6207 -13.6601 -13.6601 -13.6580 -13.6580 -13.6459 -13.6459 -13.6438 -13.6438 -13.6427 -13.6427 -13.6393 -13.6393 -5.9358 -5.9358 -4.7500 -4.7500 -4.2156 -4.2156 -0.8179 -0.8179 -0.7625 -0.7625 4.9845 4.9845 5.1606 5.1606 5.9937 5.9937 6.1633 6.1633 6.3791 6.3791 6.4776 6.4776 6.8382 6.8382 6.9611 6.9611 7.5995 7.5995 8.1791 8.1791 8.8514 8.8514 9.0995 9.0995 9.6488 9.6488 10.5586 10.5586 k = 0.0338-0.0757-0.1394 ( 5615 PWs) bands (ev): -16.6309 -16.6309 -16.6307 -16.6307 -16.6226 -16.6226 -16.6208 -16.6208 -13.6600 -13.6600 -13.6579 -13.6579 -13.6460 -13.6460 -13.6440 -13.6440 -13.6426 -13.6426 -13.6392 -13.6392 -5.9256 -5.9256 -4.7394 -4.7394 -4.2087 -4.2087 -0.8240 -0.8240 -0.7731 -0.7731 4.9296 4.9296 5.1231 5.1231 5.9546 5.9546 6.1250 6.1250 6.3436 6.3436 6.5028 6.5028 6.8639 6.8639 6.8893 6.8893 7.6054 7.6054 8.2101 8.2101 8.8359 8.8359 9.1876 9.1876 9.7329 9.7329 10.5638 10.5638 k = 0.0406-0.0908-0.1673 ( 5613 PWs) bands (ev): -16.6308 -16.6308 -16.6307 -16.6307 -16.6226 -16.6226 -16.6208 -16.6208 -13.6599 -13.6599 -13.6578 -13.6578 -13.6461 -13.6461 -13.6441 -13.6441 -13.6424 -13.6424 -13.6392 -13.6392 -5.9132 -5.9132 -4.7264 -4.7264 -4.2003 -4.2003 -0.8316 -0.8316 -0.7862 -0.7862 4.8718 4.8718 5.0749 5.0749 5.9161 5.9161 6.0621 6.0621 6.2963 6.2963 6.5302 6.5302 6.8237 6.8237 6.9075 6.9075 7.5979 7.5979 8.2495 8.2495 8.8174 8.8174 9.2862 9.2862 9.8268 9.8268 10.5673 10.5673 k = 0.0474-0.1060-0.1952 ( 5617 PWs) bands (ev): -16.6307 -16.6307 -16.6306 -16.6306 -16.6226 -16.6226 -16.6208 -16.6208 -13.6598 -13.6598 -13.6576 -13.6576 -13.6462 -13.6462 -13.6443 -13.6443 -13.6423 -13.6423 -13.6391 -13.6391 -5.8986 -5.8986 -4.7111 -4.7111 -4.1905 -4.1905 -0.8408 -0.8408 -0.8017 -0.8017 4.8126 4.8126 5.0179 5.0179 5.8732 5.8732 5.9779 5.9779 6.2590 6.2590 6.5179 6.5179 6.8119 6.8119 6.9422 6.9422 7.5840 7.5840 8.2919 8.2919 8.7957 8.7957 9.3923 9.3923 9.9265 9.9265 10.5677 10.5677 k = 0.0542-0.1211-0.2230 ( 5617 PWs) bands (ev): -16.6307 -16.6307 -16.6306 -16.6306 -16.6226 -16.6226 -16.6208 -16.6208 -13.6597 -13.6597 -13.6575 -13.6575 -13.6463 -13.6463 -13.6445 -13.6445 -13.6422 -13.6422 -13.6390 -13.6390 -5.8818 -5.8818 -4.6935 -4.6935 -4.1792 -4.1792 -0.8517 -0.8517 -0.8196 -0.8196 4.7533 4.7533 4.9541 4.9541 5.8090 5.8090 5.8962 5.8962 6.2293 6.2293 6.4594 6.4594 6.8448 6.8448 6.9778 6.9778 7.5691 7.5691 8.3338 8.3338 8.7711 8.7711 9.5022 9.5022 10.0279 10.0279 10.5648 10.5648 k = 0.0609-0.1363-0.2509 ( 5615 PWs) bands (ev): -16.6306 -16.6306 -16.6305 -16.6305 -16.6226 -16.6226 -16.6208 -16.6208 -13.6596 -13.6596 -13.6574 -13.6574 -13.6465 -13.6465 -13.6447 -13.6447 -13.6420 -13.6420 -13.6389 -13.6389 -5.8628 -5.8628 -4.6735 -4.6735 -4.1665 -4.1665 -0.8644 -0.8644 -0.8399 -0.8399 4.6946 4.6946 4.8854 4.8854 5.7071 5.7071 5.8401 5.8401 6.2026 6.2026 6.3760 6.3760 6.8985 6.8985 7.0145 7.0145 7.5556 7.5556 8.3734 8.3734 8.7439 8.7439 9.6103 9.6103 10.1267 10.1267 10.5622 10.5622 k = 0.0677-0.1514-0.2788 ( 5605 PWs) bands (ev): -16.6305 -16.6305 -16.6304 -16.6304 -16.6226 -16.6226 -16.6209 -16.6209 -13.6595 -13.6595 -13.6572 -13.6572 -13.6466 -13.6466 -13.6449 -13.6449 -13.6419 -13.6419 -13.6388 -13.6388 -5.8416 -5.8416 -4.6514 -4.6514 -4.1525 -4.1525 -0.8792 -0.8792 -0.8626 -0.8626 4.6373 4.6373 4.8133 4.8133 5.5865 5.5865 5.7942 5.7942 6.1761 6.1761 6.2824 6.2824 6.9552 6.9552 7.0545 7.0545 7.5448 7.5448 8.4101 8.4101 8.7150 8.7150 9.7090 9.7090 10.2197 10.2197 10.5671 10.5671 k = 0.0745-0.1666-0.3067 ( 5605 PWs) bands (ev): -16.6304 -16.6304 -16.6303 -16.6303 -16.6226 -16.6226 -16.6209 -16.6209 -13.6593 -13.6593 -13.6571 -13.6571 -13.6467 -13.6467 -13.6451 -13.6451 -13.6417 -13.6417 -13.6386 -13.6386 -5.8183 -5.8183 -4.6270 -4.6270 -4.1371 -4.1371 -0.8966 -0.8966 -0.8871 -0.8871 4.5819 4.5819 4.7392 4.7392 5.4600 5.4600 5.7469 5.7469 6.1482 6.1482 6.1858 6.1858 7.0030 7.0030 7.1023 7.1023 7.5367 7.5367 8.4433 8.4433 8.6859 8.6859 9.7888 9.7888 10.3075 10.3075 10.5855 10.5855 k = 0.0812-0.1817-0.3346 ( 5605 PWs) bands (ev): -16.6304 -16.6304 -16.6302 -16.6302 -16.6226 -16.6226 -16.6209 -16.6209 -13.6592 -13.6592 -13.6570 -13.6570 -13.6469 -13.6469 -13.6453 -13.6453 -13.6415 -13.6415 -13.6385 -13.6385 -5.7929 -5.7929 -4.6004 -4.6004 -4.1205 -4.1205 -0.9195 -0.9195 -0.9108 -0.9108 4.5287 4.5287 4.6644 4.6644 5.3323 5.3323 5.6938 5.6938 6.0901 6.0901 6.1192 6.1192 7.0372 7.0372 7.1586 7.1586 7.5310 7.5310 8.4721 8.4721 8.6589 8.6589 9.8410 9.8410 10.3960 10.3960 10.6170 10.6170 k = 0.0880-0.1968-0.3624 ( 5611 PWs) bands (ev): -16.6303 -16.6303 -16.6301 -16.6301 -16.6226 -16.6226 -16.6210 -16.6210 -13.6591 -13.6591 -13.6568 -13.6568 -13.6470 -13.6470 -13.6455 -13.6455 -13.6413 -13.6413 -13.6384 -13.6384 -5.7654 -5.7654 -4.5716 -4.5716 -4.1028 -4.1028 -0.9488 -0.9488 -0.9327 -0.9327 4.4776 4.4776 4.5898 4.5898 5.2056 5.2056 5.6319 5.6319 6.0006 6.0006 6.0871 6.0871 7.0602 7.0602 7.2177 7.2177 7.5269 7.5269 8.4946 8.4946 8.6383 8.6383 9.8640 9.8640 10.4910 10.4910 10.6573 10.6573 k = 0.0948-0.2120-0.3903 ( 5605 PWs) bands (ev): -16.6302 -16.6302 -16.6299 -16.6299 -16.6226 -16.6226 -16.6210 -16.6210 -13.6590 -13.6590 -13.6567 -13.6567 -13.6472 -13.6472 -13.6457 -13.6457 -13.6411 -13.6411 -13.6382 -13.6382 -5.7359 -5.7359 -4.5407 -4.5407 -4.0839 -4.0839 -0.9816 -0.9816 -0.9561 -0.9561 4.4279 4.4279 4.5170 4.5170 5.0816 5.0816 5.5595 5.5595 5.9191 5.9191 6.0527 6.0527 7.0749 7.0749 7.2740 7.2740 7.5236 7.5236 8.5072 8.5072 8.6301 8.6301 9.8637 9.8637 10.5879 10.5879 10.7066 10.7066 k = 0.1015-0.2271-0.4182 ( 5609 PWs) bands (ev): -16.6301 -16.6301 -16.6298 -16.6298 -16.6226 -16.6226 -16.6210 -16.6210 -13.6589 -13.6589 -13.6565 -13.6565 -13.6473 -13.6473 -13.6459 -13.6459 -13.6409 -13.6409 -13.6380 -13.6380 -5.7045 -5.7045 -4.5076 -4.5076 -4.0639 -4.0639 -1.0170 -1.0170 -0.9816 -0.9816 4.3773 4.3773 4.4484 4.4484 4.9617 4.9617 5.4768 5.4768 5.8464 5.8464 6.0158 6.0158 7.0828 7.0828 7.3232 7.3232 7.5205 7.5205 8.5096 8.5096 8.6375 8.6375 9.8492 9.8492 10.6674 10.6674 10.7790 10.7790 k = 0.1083-0.2423-0.4461 ( 5603 PWs) bands (ev): -16.6300 -16.6300 -16.6297 -16.6297 -16.6226 -16.6226 -16.6211 -16.6211 -13.6588 -13.6588 -13.6564 -13.6564 -13.6474 -13.6474 -13.6461 -13.6461 -13.6407 -13.6407 -13.6378 -13.6378 -5.6711 -5.6711 -4.4726 -4.4726 -4.0429 -4.0429 -1.0550 -1.0550 -1.0095 -1.0095 4.3206 4.3206 4.3888 4.3888 4.8472 4.8472 5.3856 5.3856 5.7817 5.7817 5.9762 5.9762 7.0841 7.0841 7.3624 7.3624 7.5167 7.5167 8.5086 8.5086 8.6563 8.6563 9.8278 9.8278 10.7199 10.7199 10.8800 10.8800 k = 0.1151-0.2574-0.4740 ( 5599 PWs) bands (ev): -16.6299 -16.6299 -16.6295 -16.6295 -16.6226 -16.6226 -16.6211 -16.6211 -13.6587 -13.6587 -13.6563 -13.6563 -13.6476 -13.6476 -13.6463 -13.6463 -13.6405 -13.6405 -13.6377 -13.6377 -5.6358 -5.6358 -4.4355 -4.4355 -4.0210 -4.0210 -1.0955 -1.0955 -1.0399 -1.0399 4.2547 4.2547 4.3409 4.3409 4.7399 4.7399 5.2892 5.2892 5.7226 5.7226 5.9341 5.9341 7.0785 7.0785 7.3897 7.3897 7.5113 7.5113 8.5122 8.5122 8.6813 8.6813 9.8050 9.8050 10.7602 10.7602 10.9916 10.9916 k = 0.1218-0.2725-0.5019 ( 5603 PWs) bands (ev): -16.6298 -16.6298 -16.6294 -16.6294 -16.6226 -16.6226 -16.6212 -16.6212 -13.6587 -13.6587 -13.6562 -13.6562 -13.6477 -13.6477 -13.6465 -13.6465 -13.6402 -13.6402 -13.6375 -13.6375 -5.5987 -5.5987 -4.3965 -4.3965 -3.9982 -3.9982 -1.1382 -1.1382 -1.0729 -1.0729 4.1819 4.1819 4.3008 4.3008 4.6413 4.6413 5.1906 5.1906 5.6671 5.6671 5.8895 5.8895 7.0656 7.0656 7.4053 7.4053 7.5027 7.5027 8.5248 8.5248 8.7096 8.7096 9.7842 9.7842 10.7972 10.7972 11.1030 11.1030 k = 0.1286-0.2877-0.5297 ( 5607 PWs) bands (ev): -16.6297 -16.6297 -16.6292 -16.6292 -16.6226 -16.6226 -16.6212 -16.6212 -13.6587 -13.6587 -13.6561 -13.6561 -13.6478 -13.6478 -13.6466 -13.6466 -13.6400 -13.6400 -13.6373 -13.6373 -5.5598 -5.5598 -4.3556 -4.3556 -3.9746 -3.9746 -1.1832 -1.1832 -1.1086 -1.1086 4.1050 4.1050 4.2639 4.2639 4.5535 4.5535 5.0924 5.0924 5.6138 5.6138 5.8425 5.8425 7.0445 7.0445 7.4110 7.4110 7.4889 7.4889 8.5480 8.5480 8.7405 8.7405 9.7680 9.7680 10.8335 10.8335 11.2095 11.2095 k = 0.1354-0.3028-0.5576 ( 5611 PWs) bands (ev): -16.6296 -16.6296 -16.6291 -16.6291 -16.6226 -16.6226 -16.6212 -16.6212 -13.6587 -13.6587 -13.6561 -13.6561 -13.6479 -13.6479 -13.6467 -13.6467 -13.6397 -13.6397 -13.6371 -13.6371 -5.5194 -5.5194 -4.3129 -4.3129 -3.9503 -3.9503 -1.2302 -1.2302 -1.1469 -1.1469 4.0251 4.0251 4.2266 4.2266 4.4790 4.4790 4.9970 4.9970 5.5616 5.5616 5.7932 5.7932 7.0148 7.0148 7.4098 7.4098 7.4682 7.4682 8.5813 8.5813 8.7737 8.7737 9.7581 9.7581 10.8705 10.8705 11.3086 11.3086 k = 0.1422-0.3180-0.5855 ( 5611 PWs) bands (ev): -16.6295 -16.6295 -16.6289 -16.6289 -16.6226 -16.6226 -16.6213 -16.6213 -13.6587 -13.6587 -13.6561 -13.6561 -13.6479 -13.6479 -13.6469 -13.6469 -13.6394 -13.6394 -13.6368 -13.6368 -5.4773 -5.4773 -4.2685 -4.2685 -3.9254 -3.9254 -1.2793 -1.2793 -1.1878 -1.1878 3.9429 3.9429 4.1855 4.1855 4.4199 4.4199 4.9063 4.9063 5.5098 5.5098 5.7418 5.7418 6.9763 6.9763 7.4027 7.4027 7.4412 7.4412 8.6223 8.6223 8.8100 8.8100 9.7557 9.7557 10.9084 10.9084 11.3987 11.3987 k = 0.1489-0.3331-0.6134 ( 5613 PWs) bands (ev): -16.6294 -16.6294 -16.6287 -16.6287 -16.6226 -16.6226 -16.6213 -16.6213 -13.6587 -13.6587 -13.6560 -13.6560 -13.6480 -13.6480 -13.6470 -13.6470 -13.6391 -13.6391 -13.6366 -13.6366 -5.4337 -5.4337 -4.2224 -4.2224 -3.8999 -3.8999 -1.3301 -1.3301 -1.2314 -1.2314 3.8591 3.8591 4.1382 4.1382 4.3770 4.3770 4.8220 4.8220 5.4584 5.4584 5.6885 5.6885 6.9293 6.9293 7.3829 7.3829 7.4170 7.4170 8.6682 8.6682 8.8505 8.8505 9.7613 9.7613 10.9477 10.9477 11.4786 11.4786 k = 0.1557-0.3482-0.6413 ( 5617 PWs) bands (ev): -16.6293 -16.6293 -16.6286 -16.6286 -16.6226 -16.6226 -16.6214 -16.6214 -13.6587 -13.6587 -13.6560 -13.6560 -13.6480 -13.6480 -13.6470 -13.6470 -13.6389 -13.6389 -13.6364 -13.6364 -5.3888 -5.3888 -4.1747 -4.1747 -3.8739 -3.8739 -1.3827 -1.3827 -1.2775 -1.2775 3.7747 3.7747 4.0844 4.0844 4.3487 4.3487 4.7458 4.7458 5.4073 5.4073 5.6336 5.6336 6.8745 6.8745 7.3421 7.3421 7.4055 7.4055 8.7154 8.7154 8.8966 8.8966 9.7754 9.7754 10.9884 10.9884 11.5476 11.5476 k = 0.1625-0.3634-0.6691 ( 5623 PWs) bands (ev): -16.6292 -16.6292 -16.6284 -16.6284 -16.6226 -16.6226 -16.6214 -16.6214 -13.6588 -13.6588 -13.6560 -13.6560 -13.6481 -13.6481 -13.6471 -13.6471 -13.6386 -13.6386 -13.6362 -13.6362 -5.3426 -5.3426 -4.1255 -4.1255 -3.8475 -3.8475 -1.4367 -1.4367 -1.3260 -1.3260 3.6909 3.6909 4.0252 4.0252 4.3317 4.3317 4.6789 4.6789 5.3566 5.3566 5.5774 5.5774 6.8130 6.8130 7.2894 7.2894 7.3988 7.3988 8.7609 8.7609 8.9496 8.9496 9.7978 9.7978 11.0305 11.0305 11.6052 11.6052 k = 0.1692-0.3785-0.6970 ( 5623 PWs) bands (ev): -16.6291 -16.6291 -16.6283 -16.6283 -16.6225 -16.6225 -16.6214 -16.6214 -13.6588 -13.6588 -13.6561 -13.6561 -13.6481 -13.6481 -13.6472 -13.6472 -13.6383 -13.6383 -13.6360 -13.6360 -5.2954 -5.2954 -4.0749 -4.0749 -3.8207 -3.8207 -1.4921 -1.4921 -1.3770 -1.3770 3.6087 3.6087 3.9620 3.9620 4.3226 4.3226 4.6224 4.6224 5.3068 5.3068 5.5202 5.5202 6.7460 6.7460 7.2292 7.2292 7.3938 7.3938 8.8027 8.8027 9.0100 9.0100 9.8284 9.8284 11.0740 11.0740 11.6512 11.6512 k = 0.1760-0.3937-0.7249 ( 5619 PWs) bands (ev): -16.6290 -16.6290 -16.6281 -16.6281 -16.6225 -16.6225 -16.6215 -16.6215 -13.6588 -13.6588 -13.6561 -13.6561 -13.6481 -13.6481 -13.6473 -13.6473 -13.6380 -13.6380 -13.6358 -13.6358 -5.2471 -5.2471 -4.0230 -4.0230 -3.7935 -3.7935 -1.5487 -1.5487 -1.4301 -1.4301 3.5289 3.5289 3.8956 3.8956 4.3191 4.3191 4.5766 4.5766 5.2582 5.2582 5.4626 5.4626 6.6747 6.6747 7.1633 7.1633 7.3895 7.3895 8.8404 8.8404 9.0769 9.0769 9.8668 9.8668 11.1188 11.1188 11.6857 11.6857 k = 0.1828-0.4088-0.7528 ( 5621 PWs) bands (ev): -16.6290 -16.6290 -16.6279 -16.6279 -16.6225 -16.6225 -16.6215 -16.6215 -13.6589 -13.6589 -13.6561 -13.6561 -13.6482 -13.6482 -13.6473 -13.6473 -13.6378 -13.6378 -13.6356 -13.6356 -5.1981 -5.1981 -3.9700 -3.9700 -3.7661 -3.7661 -1.6062 -1.6062 -1.4853 -1.4853 3.4522 3.4522 3.8271 3.8271 4.3188 4.3188 4.5414 4.5414 5.2116 5.2116 5.4050 5.4050 6.6003 6.6003 7.0927 7.0927 7.3857 7.3857 8.8742 8.8742 9.1489 9.1489 9.9125 9.9125 11.1649 11.1649 11.7087 11.7087 k = 0.1895-0.4240-0.7807 ( 5613 PWs) bands (ev): -16.6289 -16.6289 -16.6278 -16.6278 -16.6225 -16.6225 -16.6216 -16.6216 -13.6589 -13.6589 -13.6562 -13.6562 -13.6482 -13.6482 -13.6473 -13.6473 -13.6375 -13.6375 -13.6354 -13.6354 -5.1485 -5.1485 -3.9159 -3.9159 -3.7383 -3.7383 -1.6646 -1.6646 -1.5425 -1.5425 3.3792 3.3792 3.7572 3.7572 4.3200 4.3200 4.5162 4.5162 5.1676 5.1676 5.3482 5.3482 6.5236 6.5236 7.0184 7.0184 7.3821 7.3821 8.9048 8.9048 9.2246 9.2246 9.9649 9.9649 11.2121 11.2121 11.7207 11.7207 k = 0.1963-0.4391-0.8085 ( 5609 PWs) bands (ev): -16.6288 -16.6288 -16.6276 -16.6276 -16.6225 -16.6225 -16.6216 -16.6216 -13.6590 -13.6590 -13.6562 -13.6562 -13.6482 -13.6482 -13.6474 -13.6474 -13.6372 -13.6372 -13.6353 -13.6353 -5.0985 -5.0985 -3.8609 -3.8609 -3.7101 -3.7101 -1.7235 -1.7235 -1.6014 -1.6014 3.3104 3.3104 3.6870 3.6870 4.3207 4.3207 4.4999 4.4999 5.1272 5.1272 5.2932 5.2932 6.4457 6.4457 6.9414 6.9414 7.3784 7.3784 8.9324 8.9324 9.3029 9.3029 10.0235 10.0235 11.2603 11.2603 11.7222 11.7222 k = 0.2031-0.4542-0.8364 ( 5601 PWs) bands (ev): -16.6287 -16.6287 -16.6275 -16.6275 -16.6225 -16.6225 -16.6216 -16.6216 -13.6590 -13.6590 -13.6562 -13.6562 -13.6483 -13.6483 -13.6474 -13.6474 -13.6370 -13.6370 -13.6351 -13.6351 -5.0484 -5.0484 -3.8051 -3.8051 -3.6816 -3.6816 -1.7829 -1.7829 -1.6618 -1.6618 3.2462 3.2462 3.6175 3.6175 4.3190 4.3190 4.4912 4.4912 5.0911 5.0911 5.2414 5.2414 6.3672 6.3672 6.8625 6.8625 7.3745 7.3745 8.9573 8.9573 9.3828 9.3828 10.0875 10.0875 11.3094 11.3094 11.7137 11.7137 k = 0.2099-0.4694-0.8643 ( 5593 PWs) bands (ev): -16.6286 -16.6286 -16.6273 -16.6273 -16.6225 -16.6225 -16.6217 -16.6217 -13.6590 -13.6590 -13.6563 -13.6563 -13.6484 -13.6484 -13.6474 -13.6474 -13.6368 -13.6368 -13.6350 -13.6350 -4.9984 -4.9984 -3.7487 -3.7487 -3.6527 -3.6527 -1.8426 -1.8426 -1.7236 -1.7236 3.1867 3.1867 3.5497 3.5497 4.3134 4.3134 4.4881 4.4881 5.0599 5.0599 5.1948 5.1948 6.2889 6.2889 6.7826 6.7826 7.3702 7.3702 8.9794 8.9794 9.4639 9.4639 10.1564 10.1564 11.3591 11.3591 11.6961 11.6961 k = 0.2166-0.4845-0.8922 ( 5599 PWs) bands (ev): -16.6286 -16.6286 -16.6272 -16.6272 -16.6225 -16.6225 -16.6217 -16.6217 -13.6589 -13.6589 -13.6563 -13.6563 -13.6485 -13.6485 -13.6474 -13.6474 -13.6365 -13.6365 -13.6348 -13.6348 -4.9488 -4.9488 -3.6919 -3.6919 -3.6231 -3.6231 -1.9023 -1.9023 -1.7866 -1.7866 3.1321 3.1321 3.4844 3.4844 4.3024 4.3024 4.4881 4.4881 5.0332 5.0332 5.1564 5.1564 6.2114 6.2114 6.7024 6.7024 7.3655 7.3655 8.9988 8.9988 9.5455 9.5455 10.2295 10.2295 11.4090 11.4090 11.6704 11.6704 k = 0.2234-0.4997-0.9201 ( 5603 PWs) bands (ev): -16.6285 -16.6285 -16.6271 -16.6271 -16.6225 -16.6225 -16.6217 -16.6217 -13.6589 -13.6589 -13.6563 -13.6563 -13.6486 -13.6486 -13.6474 -13.6474 -13.6363 -13.6363 -13.6347 -13.6347 -4.8999 -4.8999 -3.6350 -3.6350 -3.5926 -3.5926 -1.9619 -1.9619 -1.8505 -1.8505 3.0826 3.0826 3.4225 3.4225 4.2854 4.2854 4.4882 4.4882 5.0101 5.0101 5.1299 5.1299 6.1354 6.1354 6.6227 6.6227 7.3602 7.3602 9.0152 9.0152 9.6273 9.6273 10.3063 10.3063 11.4582 11.4582 11.6381 11.6381 k = 0.2302-0.5148-0.9479 ( 5609 PWs) bands (ev): -16.6284 -16.6284 -16.6269 -16.6269 -16.6226 -16.6226 -16.6217 -16.6217 -13.6588 -13.6588 -13.6563 -13.6563 -13.6488 -13.6488 -13.6473 -13.6473 -13.6362 -13.6362 -13.6346 -13.6346 -4.8521 -4.8521 -3.5796 -3.5796 -3.5598 -3.5598 -2.0213 -2.0213 -1.9151 -1.9151 3.0382 3.0382 3.3648 3.3648 4.2620 4.2620 4.4853 4.4853 4.9899 4.9899 5.1181 5.1181 6.0617 6.0617 6.5444 6.5444 7.3543 7.3543 9.0286 9.0286 9.7087 9.7087 10.3859 10.3859 11.5026 11.5026 11.6038 11.6038 k = 0.2369-0.5299-0.9758 ( 5601 PWs) bands (ev): -16.6284 -16.6284 -16.6268 -16.6268 -16.6226 -16.6226 -16.6218 -16.6218 -13.6587 -13.6587 -13.6563 -13.6563 -13.6489 -13.6489 -13.6473 -13.6473 -13.6360 -13.6360 -13.6345 -13.6345 -4.8057 -4.8057 -3.5351 -3.5351 -3.5150 -3.5150 -2.0803 -2.0803 -1.9803 -1.9803 2.9988 2.9988 3.3120 3.3120 4.2324 4.2324 4.4764 4.4764 4.9740 4.9740 5.1211 5.1211 5.9909 5.9909 6.4685 6.4685 7.3478 7.3478 9.0389 9.0389 9.7895 9.7895 10.4678 10.4678 11.5156 11.5156 11.5947 11.5947 k = 0.2437-0.5451-1.0037 ( 5599 PWs) bands (ev): -16.6283 -16.6283 -16.6267 -16.6267 -16.6226 -16.6226 -16.6218 -16.6218 -13.6586 -13.6586 -13.6562 -13.6562 -13.6491 -13.6491 -13.6473 -13.6473 -13.6358 -13.6358 -13.6345 -13.6345 -4.7611 -4.7611 -3.5003 -3.5003 -3.4597 -3.4597 -2.1388 -2.1388 -2.0458 -2.0458 2.9643 2.9643 3.2646 3.2646 4.1972 4.1972 4.4595 4.4595 4.9641 4.9641 5.1371 5.1371 5.9241 5.9241 6.3960 6.3960 7.3406 7.3406 9.0459 9.0459 9.8689 9.8689 10.5512 10.5512 11.4770 11.4770 11.6306 11.6306 k = 0.2505-0.5602-1.0316 ( 5601 PWs) bands (ev): -16.6283 -16.6283 -16.6265 -16.6265 -16.6226 -16.6226 -16.6218 -16.6218 -13.6585 -13.6585 -13.6562 -13.6562 -13.6493 -13.6493 -13.6473 -13.6473 -13.6357 -13.6357 -13.6344 -13.6344 -4.7186 -4.7186 -3.4655 -3.4655 -3.4032 -3.4032 -2.1966 -2.1966 -2.1115 -2.1115 2.9345 2.9345 3.2236 3.2236 4.1572 4.1572 4.4340 4.4340 4.9602 4.9602 5.1635 5.1635 5.8621 5.8621 6.3283 6.3283 7.3326 7.3326 9.0495 9.0495 9.9463 9.9463 10.6351 10.6351 11.4227 11.4227 11.6723 11.6723 k = 0.2572-0.5754-1.0595 ( 5593 PWs) bands (ev): -16.6282 -16.6282 -16.6264 -16.6264 -16.6227 -16.6227 -16.6218 -16.6218 -13.6583 -13.6583 -13.6562 -13.6562 -13.6496 -13.6496 -13.6473 -13.6473 -13.6356 -13.6356 -13.6344 -13.6344 -4.6787 -4.6787 -3.4294 -3.4294 -3.3470 -3.3470 -2.2536 -2.2536 -2.1771 -2.1771 2.9092 2.9092 3.1893 3.1893 4.1133 4.1133 4.4006 4.4006 4.9604 4.9604 5.1981 5.1981 5.8062 5.8062 6.2670 6.2670 7.3240 7.3240 9.0497 9.0497 10.0208 10.0208 10.7183 10.7183 11.3630 11.3630 11.6857 11.6857 k = 0.2640-0.5905-1.0873 ( 5599 PWs) bands (ev): -16.6282 -16.6282 -16.6263 -16.6263 -16.6227 -16.6227 -16.6218 -16.6218 -13.6581 -13.6581 -13.6561 -13.6561 -13.6498 -13.6498 -13.6473 -13.6473 -13.6355 -13.6355 -13.6343 -13.6343 -4.6417 -4.6417 -3.3916 -3.3916 -3.2915 -3.2915 -2.3098 -2.3098 -2.2425 -2.2425 2.8881 2.8881 3.1625 3.1625 4.0667 4.0667 4.3611 4.3611 4.9609 4.9609 5.2388 5.2388 5.7575 5.7575 6.2144 6.2144 7.3147 7.3147 9.0464 9.0464 10.0912 10.0912 10.7990 10.7990 11.3011 11.3011 11.6563 11.6563 k = 0.2708-0.6056-1.1152 ( 5595 PWs) bands (ev): -16.6281 -16.6281 -16.6262 -16.6262 -16.6227 -16.6227 -16.6218 -16.6218 -13.6579 -13.6579 -13.6560 -13.6560 -13.6501 -13.6501 -13.6473 -13.6473 -13.6354 -13.6354 -13.6343 -13.6343 -4.6079 -4.6079 -3.3517 -3.3517 -3.2369 -3.2369 -2.3650 -2.3650 -2.3075 -2.3075 2.8710 2.8710 3.1435 3.1435 4.0180 4.0180 4.3173 4.3173 4.9579 4.9579 5.2831 5.2831 5.7174 5.7174 6.1729 6.1729 7.3048 7.3048 9.0395 9.0395 10.1558 10.1558 10.8731 10.8731 11.2411 11.2411 11.6180 11.6180 k = 0.2775-0.6208-1.1431 ( 5597 PWs) bands (ev): -16.6281 -16.6281 -16.6261 -16.6261 -16.6228 -16.6228 -16.6219 -16.6219 -13.6576 -13.6576 -13.6559 -13.6559 -13.6503 -13.6503 -13.6473 -13.6473 -13.6353 -13.6353 -13.6343 -13.6343 -4.5775 -4.5775 -3.3096 -3.3096 -3.1834 -3.1834 -2.4192 -2.4192 -2.3719 -2.3719 2.8578 2.8578 3.1327 3.1327 3.9682 3.9682 4.2706 4.2706 4.9482 4.9482 5.3269 5.3269 5.6881 5.6881 6.1454 6.1454 7.2943 7.2943 9.0291 9.0291 10.2127 10.2127 10.9313 10.9313 11.1918 11.1918 11.5824 11.5824 k = 0.2843-0.6359-1.1710 ( 5597 PWs) bands (ev): -16.6280 -16.6280 -16.6260 -16.6260 -16.6228 -16.6228 -16.6219 -16.6219 -13.6574 -13.6574 -13.6558 -13.6558 -13.6506 -13.6506 -13.6473 -13.6473 -13.6352 -13.6352 -13.6344 -13.6344 -4.5509 -4.5509 -3.2652 -3.2652 -3.1313 -3.1313 -2.4723 -2.4723 -2.4355 -2.4355 2.8485 2.8485 3.1300 3.1300 3.9178 3.9178 4.2224 4.2224 4.9300 4.9300 5.3634 5.3634 5.6741 5.6741 6.1344 6.1344 7.2833 7.2833 9.0153 9.0153 10.2593 10.2593 10.9522 10.9522 11.1735 11.1735 11.5548 11.5548 k = 0.2911-0.6511-1.1989 ( 5603 PWs) bands (ev): -16.6280 -16.6280 -16.6259 -16.6259 -16.6229 -16.6229 -16.6219 -16.6219 -13.6572 -13.6572 -13.6557 -13.6557 -13.6510 -13.6510 -13.6473 -13.6473 -13.6352 -13.6352 -13.6344 -13.6344 -4.5280 -4.5280 -3.2185 -3.2185 -3.0807 -3.0807 -2.5244 -2.5244 -2.4980 -2.4980 2.8434 2.8434 3.1354 3.1354 3.8674 3.8674 4.1737 4.1737 4.9029 4.9029 5.3827 5.3827 5.6828 5.6828 6.1409 6.1409 7.2719 7.2719 8.9979 8.9979 10.2926 10.2926 10.9234 10.9234 11.1963 11.1963 11.5405 11.5405 k = 0.2979-0.6662-1.2267 ( 5603 PWs) bands (ev): -16.6280 -16.6280 -16.6259 -16.6259 -16.6229 -16.6229 -16.6219 -16.6219 -13.6569 -13.6569 -13.6555 -13.6555 -13.6513 -13.6513 -13.6473 -13.6473 -13.6351 -13.6351 -13.6344 -13.6344 -4.5089 -4.5089 -3.1693 -3.1693 -3.0319 -3.0319 -2.5758 -2.5758 -2.5589 -2.5589 2.8426 2.8426 3.1484 3.1484 3.8178 3.8178 4.1251 4.1251 4.8679 4.8679 5.3789 5.3789 5.7186 5.7186 6.1646 6.1646 7.2603 7.2603 8.9772 8.9772 10.3096 10.3096 10.8668 10.8668 11.2360 11.2360 11.5449 11.5449 k = 0.3046-0.6814-1.2546 ( 5607 PWs) bands (ev): -16.6280 -16.6280 -16.6258 -16.6258 -16.6229 -16.6229 -16.6219 -16.6219 -13.6567 -13.6567 -13.6553 -13.6553 -13.6516 -13.6516 -13.6473 -13.6473 -13.6351 -13.6351 -13.6345 -13.6345 -4.4935 -4.4935 -3.1180 -3.1180 -2.9850 -2.9850 -2.6279 -2.6279 -2.6164 -2.6164 2.8464 2.8464 3.1685 3.1685 3.7694 3.7694 4.0774 4.0774 4.8265 4.8265 5.3557 5.3557 5.7767 5.7767 6.2036 6.2036 7.2486 7.2486 8.9532 8.9532 10.3078 10.3078 10.7999 10.7999 11.2746 11.2746 11.5704 11.5704 k = 0.3114-0.6965-1.2825 ( 5613 PWs) bands (ev): -16.6279 -16.6279 -16.6258 -16.6258 -16.6230 -16.6230 -16.6219 -16.6219 -13.6566 -13.6566 -13.6551 -13.6551 -13.6519 -13.6519 -13.6473 -13.6473 -13.6350 -13.6350 -13.6345 -13.6345 -4.4818 -4.4818 -3.0646 -3.0646 -2.9405 -2.9405 -2.6832 -2.6832 -2.6677 -2.6677 2.8551 2.8551 3.1949 3.1949 3.7231 3.7231 4.0310 4.0310 4.7805 4.7805 5.3207 5.3207 5.8494 5.8494 6.2556 6.2556 7.2370 7.2370 8.9260 8.9260 10.2863 10.2863 10.7289 10.7289 11.3094 11.3094 11.6139 11.6139 k = 0.3182-0.7116-1.3104 ( 5601 PWs) bands (ev): -16.6279 -16.6279 -16.6257 -16.6257 -16.6230 -16.6230 -16.6219 -16.6219 -13.6564 -13.6564 -13.6549 -13.6549 -13.6522 -13.6522 -13.6473 -13.6473 -13.6350 -13.6350 -13.6346 -13.6346 -4.4736 -4.4736 -3.0097 -3.0097 -2.8990 -2.8990 -2.7387 -2.7387 -2.7149 -2.7149 2.8688 2.8688 3.2264 3.2264 3.6798 3.6798 3.9862 3.9862 4.7313 4.7313 5.2794 5.2794 5.9312 5.9312 6.3179 6.3179 7.2256 7.2256 8.8957 8.8957 10.2464 10.2464 10.6556 10.6556 11.3437 11.3437 11.6687 11.6687 k = 0.3249-0.7268-1.3383 ( 5587 PWs) bands (ev): -16.6279 -16.6279 -16.6257 -16.6257 -16.6230 -16.6230 -16.6219 -16.6219 -13.6564 -13.6564 -13.6547 -13.6547 -13.6525 -13.6525 -13.6473 -13.6473 -13.6349 -13.6349 -13.6347 -13.6347 -4.4685 -4.4685 -2.9540 -2.9540 -2.8635 -2.8635 -2.7892 -2.7892 -2.7595 -2.7595 2.8875 2.8875 3.2613 3.2613 3.6411 3.6411 3.9437 3.9437 4.6801 4.6801 5.2352 5.2352 6.0188 6.0188 6.3882 6.3882 7.2149 7.2149 8.8626 8.8626 10.1906 10.1906 10.5805 10.5805 11.3801 11.3801 11.7285 11.7285 k = 0.3317-0.7419-1.3661 ( 5593 PWs) bands (ev): -16.6279 -16.6279 -16.6257 -16.6257 -16.6230 -16.6230 -16.6219 -16.6219 -13.6563 -13.6563 -13.6546 -13.6546 -13.6526 -13.6526 -13.6473 -13.6473 -13.6349 -13.6349 -13.6347 -13.6347 -4.4665 -4.4665 -2.9039 -2.9039 -2.8589 -2.8589 -2.8108 -2.8108 -2.7947 -2.7947 2.9110 2.9110 3.2970 3.2970 3.6096 3.6096 3.9038 3.9038 4.6281 4.6281 5.1900 5.1900 6.1100 6.1100 6.4645 6.4645 7.2052 7.2052 8.8267 8.8267 10.1220 10.1220 10.5039 10.5039 11.4187 11.4187 11.7889 11.7889 k = 0.3385-0.7571-1.3940 ( 5593 PWs) bands (ev): -16.6279 -16.6279 -16.6257 -16.6257 -16.6230 -16.6230 -16.6219 -16.6219 -13.6563 -13.6563 -13.6546 -13.6546 -13.6525 -13.6525 -13.6473 -13.6473 -13.6349 -13.6349 -13.6347 -13.6347 -4.4670 -4.4670 -2.9194 -2.9194 -2.8556 -2.8556 -2.8205 -2.8205 -2.7729 -2.7729 2.9388 2.9388 3.3286 3.3286 3.5899 3.5899 3.8673 3.8673 4.5761 4.5761 5.1451 5.1451 6.2030 6.2030 6.5450 6.5450 7.1969 7.1969 8.7884 8.7884 10.0436 10.0436 10.4262 10.4262 11.4584 11.4584 11.8470 11.8470 k = 0.6615-0.6504-1.3306 ( 5593 PWs) bands (ev): -16.6279 -16.6279 -16.6257 -16.6257 -16.6230 -16.6230 -16.6219 -16.6219 -13.6563 -13.6563 -13.6546 -13.6546 -13.6525 -13.6525 -13.6473 -13.6473 -13.6349 -13.6349 -13.6347 -13.6347 -4.4670 -4.4670 -2.9194 -2.9194 -2.8556 -2.8556 -2.8205 -2.8205 -2.7729 -2.7729 2.9388 2.9388 3.3286 3.3286 3.5899 3.5899 3.8673 3.8673 4.5761 4.5761 5.1451 5.1451 6.2030 6.2030 6.5450 6.5450 7.1969 7.1969 8.7884 8.7884 10.0436 10.0436 10.4262 10.4262 11.4584 11.4584 11.8470 11.8470 k = 0.6548-0.6188-1.3306 ( 5601 PWs) bands (ev): -16.6279 -16.6279 -16.6257 -16.6257 -16.6230 -16.6230 -16.6219 -16.6219 -13.6564 -13.6564 -13.6548 -13.6548 -13.6523 -13.6523 -13.6473 -13.6473 -13.6349 -13.6349 -13.6346 -13.6346 -4.4700 -4.4700 -2.9669 -2.9669 -2.8907 -2.8907 -2.7682 -2.7682 -2.7413 -2.7413 2.9696 2.9696 3.3499 3.3499 3.5876 3.5876 3.8357 3.8357 4.5249 4.5249 5.1016 5.1016 6.2956 6.2956 6.6276 6.6276 7.1909 7.1909 8.7482 8.7482 9.9586 9.9586 10.3486 10.3486 11.4973 11.4973 11.9004 11.9004 k = 0.6481-0.5873-1.3306 ( 5601 PWs) bands (ev): -16.6279 -16.6279 -16.6258 -16.6258 -16.6230 -16.6230 -16.6219 -16.6219 -13.6565 -13.6565 -13.6551 -13.6551 -13.6520 -13.6520 -13.6473 -13.6473 -13.6350 -13.6350 -13.6345 -13.6345 -4.4749 -4.4749 -3.0156 -3.0156 -2.9289 -2.9289 -2.7152 -2.7152 -2.7049 -2.7049 3.0020 3.0020 3.3583 3.3583 3.6043 3.6043 3.8113 3.8113 4.4751 4.4751 5.0600 5.0600 6.3866 6.3866 6.7111 6.7111 7.1880 7.1880 8.7064 8.7064 9.8685 9.8685 10.2715 10.2715 11.5335 11.5335 11.9478 11.9478 k = 0.6413-0.5557-1.3306 ( 5607 PWs) bands (ev): -16.6279 -16.6279 -16.6258 -16.6258 -16.6229 -16.6229 -16.6219 -16.6219 -13.6566 -13.6566 -13.6554 -13.6554 -13.6517 -13.6517 -13.6472 -13.6472 -13.6351 -13.6351 -13.6344 -13.6344 -4.4816 -4.4816 -3.0632 -3.0632 -2.9661 -2.9661 -2.6842 -2.6842 -2.6476 -2.6476 3.0327 3.0327 3.3596 3.3596 3.6305 3.6305 3.8003 3.8003 4.4272 4.4272 5.0207 5.0207 6.4737 6.4737 6.7938 6.7938 7.1896 7.1896 8.6634 8.6634 9.7751 9.7751 10.1957 10.1957 11.5652 11.5652 11.9881 11.9881 k = 0.6346-0.5242-1.3306 ( 5602 PWs) bands (ev): -16.6280 -16.6280 -16.6259 -16.6259 -16.6229 -16.6229 -16.6219 -16.6219 -13.6568 -13.6568 -13.6558 -13.6558 -13.6513 -13.6513 -13.6472 -13.6472 -13.6351 -13.6351 -13.6343 -13.6343 -4.4897 -4.4897 -3.1093 -3.1093 -3.0019 -3.0019 -2.6578 -2.6578 -2.5879 -2.5879 3.0572 3.0572 3.3636 3.3636 3.6491 3.6491 3.8137 3.8137 4.3821 4.3821 4.9841 4.9841 6.5544 6.5544 6.8737 6.8737 7.1974 7.1974 8.6201 8.6201 9.6802 9.6802 10.1221 10.1221 11.5903 11.5903 12.0202 12.0202 k = 0.6279-0.4927-1.3306 ( 5600 PWs) bands (ev): -16.6280 -16.6280 -16.6259 -16.6259 -16.6229 -16.6229 -16.6219 -16.6219 -13.6570 -13.6570 -13.6561 -13.6561 -13.6509 -13.6509 -13.6472 -13.6472 -13.6352 -13.6352 -13.6342 -13.6342 -4.4989 -4.4989 -3.1535 -3.1535 -3.0363 -3.0363 -2.6337 -2.6337 -2.5286 -2.5286 3.0709 3.0709 3.3785 3.3785 3.6521 3.6521 3.8545 3.8545 4.3410 4.3410 4.9506 4.9506 6.6257 6.6257 6.9482 6.9482 7.2136 7.2136 8.5775 8.5775 9.5858 9.5858 10.0516 10.0516 11.6068 11.6068 12.0432 12.0432 k = 0.6211-0.4611-1.3306 ( 5602 PWs) bands (ev): -16.6280 -16.6280 -16.6260 -16.6260 -16.6228 -16.6228 -16.6219 -16.6219 -13.6573 -13.6573 -13.6564 -13.6564 -13.6505 -13.6505 -13.6472 -13.6472 -13.6352 -13.6352 -13.6340 -13.6340 -4.5091 -4.5091 -3.1959 -3.1959 -3.0691 -3.0691 -2.6119 -2.6119 -2.4700 -2.4700 3.0717 3.0717 3.4062 3.4062 3.6486 3.6486 3.9110 3.9110 4.3063 4.3063 4.9205 4.9205 6.6848 6.6848 7.0141 7.0141 7.2402 7.2402 8.5370 8.5370 9.4939 9.4939 9.9849 9.9849 11.6123 11.6123 12.0562 12.0562 k = 0.6144-0.4296-1.3306 ( 5616 PWs) bands (ev): -16.6280 -16.6280 -16.6261 -16.6261 -16.6228 -16.6228 -16.6219 -16.6219 -13.6576 -13.6576 -13.6567 -13.6567 -13.6501 -13.6501 -13.6471 -13.6471 -13.6353 -13.6353 -13.6338 -13.6338 -4.5200 -4.5200 -3.2363 -3.2363 -3.1003 -3.1003 -2.5922 -2.5922 -2.4127 -2.4127 3.0618 3.0618 3.4408 3.4408 3.6504 3.6504 3.9697 3.9697 4.2826 4.2826 4.8944 4.8944 6.7299 6.7299 7.0687 7.0687 7.2770 7.2770 8.5005 8.5005 9.4072 9.4072 9.9226 9.9226 11.6041 11.6041 12.0585 12.0585 k = 0.6077-0.3980-1.3306 ( 5616 PWs) bands (ev): -16.6280 -16.6280 -16.6262 -16.6262 -16.6227 -16.6227 -16.6218 -16.6218 -13.6580 -13.6580 -13.6569 -13.6569 -13.6497 -13.6497 -13.6471 -13.6471 -13.6353 -13.6353 -13.6337 -13.6337 -4.5312 -4.5312 -3.2746 -3.2746 -3.1300 -3.1300 -2.5745 -2.5745 -2.3569 -2.3569 3.0449 3.0449 3.4705 3.4705 3.6688 3.6688 4.0171 4.0171 4.2793 4.2793 4.8729 4.8729 6.7610 6.7610 7.1103 7.1103 7.3201 7.3201 8.4702 8.4702 9.3288 9.3288 9.8653 9.8653 11.5792 11.5792 12.0489 12.0489 k = 0.6010-0.3665-1.3306 ( 5618 PWs) bands (ev): -16.6281 -16.6281 -16.6263 -16.6263 -16.6226 -16.6226 -16.6218 -16.6218 -13.6584 -13.6584 -13.6572 -13.6572 -13.6494 -13.6494 -13.6470 -13.6470 -13.6353 -13.6353 -13.6335 -13.6335 -4.5427 -4.5427 -3.3108 -3.3108 -3.1580 -3.1580 -2.5587 -2.5587 -2.3029 -2.3029 3.0242 3.0242 3.4855 3.4855 3.7111 3.7111 4.0407 4.0407 4.3067 4.3067 4.8570 4.8570 6.7795 6.7795 7.1377 7.1377 7.3624 7.3624 8.4486 8.4486 9.2623 9.2623 9.8134 9.8134 11.5349 11.5349 12.0256 12.0256 k = 0.5942-0.3349-1.3306 ( 5614 PWs) bands (ev): -16.6281 -16.6281 -16.6264 -16.6264 -16.6226 -16.6226 -16.6218 -16.6218 -13.6587 -13.6587 -13.6574 -13.6574 -13.6491 -13.6491 -13.6469 -13.6469 -13.6353 -13.6353 -13.6333 -13.6333 -4.5543 -4.5543 -3.3449 -3.3449 -3.1844 -3.1844 -2.5447 -2.5447 -2.2510 -2.2510 3.0018 3.0018 3.4874 3.4874 3.7724 3.7724 4.0431 4.0431 4.3616 4.3616 4.8483 4.8483 6.7878 6.7878 7.1500 7.1500 7.3962 7.3962 8.4383 8.4383 9.2112 9.2112 9.7674 9.7674 11.4705 11.4705 11.9867 11.9867 k = 0.5875-0.3034-1.3306 ( 5616 PWs) bands (ev): -16.6281 -16.6281 -16.6265 -16.6265 -16.6225 -16.6225 -16.6218 -16.6218 -13.6591 -13.6591 -13.6577 -13.6577 -13.6488 -13.6488 -13.6468 -13.6468 -13.6353 -13.6353 -13.6331 -13.6331 -4.5657 -4.5657 -3.3767 -3.3767 -3.2090 -3.2090 -2.5323 -2.5323 -2.2016 -2.2016 2.9790 2.9790 3.4823 3.4823 3.8392 3.8392 4.0412 4.0412 4.4292 4.4292 4.8496 4.8496 6.7879 6.7879 7.1460 7.1460 7.4147 7.4147 8.4414 8.4414 9.1788 9.1788 9.7275 9.7275 11.3883 11.3883 11.9342 11.9342 k = 0.5808-0.2718-1.3306 ( 5616 PWs) bands (ev): -16.6281 -16.6281 -16.6266 -16.6266 -16.6225 -16.6225 -16.6218 -16.6218 -13.6594 -13.6594 -13.6579 -13.6579 -13.6486 -13.6486 -13.6466 -13.6466 -13.6353 -13.6353 -13.6329 -13.6329 -4.5769 -4.5769 -3.4063 -3.4063 -3.2320 -3.2320 -2.5215 -2.5215 -2.1547 -2.1547 2.9565 2.9565 3.4744 3.4744 3.8897 3.8897 4.0597 4.0597 4.4963 4.4963 4.8655 4.8655 6.7812 6.7812 7.1258 7.1258 7.4134 7.4134 8.4583 8.4583 9.1673 9.1673 9.6942 9.6942 11.2938 11.2938 11.8746 11.8746 k = 0.5740-0.2403-1.3306 ( 5630 PWs) bands (ev): -16.6281 -16.6281 -16.6267 -16.6267 -16.6224 -16.6224 -16.6218 -16.6218 -13.6598 -13.6598 -13.6582 -13.6582 -13.6485 -13.6485 -13.6465 -13.6465 -13.6353 -13.6353 -13.6327 -13.6327 -4.5876 -4.5876 -3.4337 -3.4337 -3.2533 -3.2533 -2.5121 -2.5121 -2.1108 -2.1108 2.9350 2.9350 3.4658 3.4658 3.9039 3.9039 4.1193 4.1193 4.5532 4.5532 4.9016 4.9016 6.7679 6.7679 7.0904 7.0904 7.3910 7.3910 8.4876 8.4876 9.1769 9.1769 9.6677 9.6677 11.1936 11.1936 11.8123 11.8123 k = 0.5673-0.2088-1.3306 ( 5620 PWs) bands (ev): -16.6281 -16.6281 -16.6268 -16.6268 -16.6223 -16.6223 -16.6217 -16.6217 -13.6601 -13.6601 -13.6584 -13.6584 -13.6483 -13.6483 -13.6463 -13.6463 -13.6353 -13.6353 -13.6325 -13.6325 -4.5978 -4.5978 -3.4588 -3.4588 -3.2727 -3.2727 -2.5040 -2.5040 -2.0699 -2.0699 2.9147 2.9147 3.4573 3.4573 3.8948 3.8948 4.2062 4.2062 4.5951 4.5951 4.9610 4.9610 6.7474 6.7474 7.0422 7.0422 7.3498 7.3498 8.5261 8.5261 9.2065 9.2065 9.6484 9.6484 11.0933 11.0933 11.7482 11.7482 k = 0.5606-0.1772-1.3306 ( 5616 PWs) bands (ev): -16.6281 -16.6281 -16.6269 -16.6269 -16.6223 -16.6223 -16.6217 -16.6217 -13.6604 -13.6604 -13.6586 -13.6586 -13.6482 -13.6482 -13.6461 -13.6461 -13.6353 -13.6353 -13.6324 -13.6324 -4.6074 -4.6074 -3.4815 -3.4815 -3.2904 -3.2904 -2.4971 -2.4971 -2.0323 -2.0323 2.8959 2.8959 3.4495 3.4495 3.8783 3.8783 4.3027 4.3027 4.6252 4.6252 5.0405 5.0405 6.7181 6.7181 6.9845 6.9845 7.2943 7.2943 8.5695 8.5695 9.2529 9.2529 9.6369 9.6369 10.9968 10.9968 11.6820 11.6820 k = 0.5538-0.1457-1.3306 ( 5622 PWs) bands (ev): -16.6281 -16.6281 -16.6271 -16.6271 -16.6222 -16.6222 -16.6217 -16.6217 -13.6606 -13.6606 -13.6588 -13.6588 -13.6482 -13.6482 -13.6460 -13.6460 -13.6352 -13.6352 -13.6322 -13.6322 -4.6162 -4.6162 -3.5019 -3.5019 -3.3063 -3.3063 -2.4912 -2.4912 -1.9982 -1.9982 2.8788 2.8788 3.4425 3.4425 3.8600 3.8600 4.3985 4.3985 4.6521 4.6521 5.1338 5.1338 6.6775 6.6775 6.9204 6.9204 7.2308 7.2308 8.6135 8.6135 9.3118 9.3118 9.6341 9.6341 10.9068 10.9068 11.6141 11.6141 k = 0.5471-0.1141-1.3306 ( 5620 PWs) bands (ev): -16.6281 -16.6281 -16.6272 -16.6272 -16.6222 -16.6222 -16.6217 -16.6217 -13.6609 -13.6609 -13.6590 -13.6590 -13.6481 -13.6481 -13.6458 -13.6458 -13.6352 -13.6352 -13.6320 -13.6320 -4.6241 -4.6241 -3.5200 -3.5200 -3.3204 -3.3204 -2.4862 -2.4862 -1.9677 -1.9677 2.8634 2.8634 3.4364 3.4364 3.8424 3.8424 4.4821 4.4821 4.6887 4.6887 5.2351 5.2351 6.6235 6.6235 6.8520 6.8520 7.1664 7.1664 8.6548 8.6548 9.3767 9.3767 9.6423 9.6423 10.8248 10.8248 11.5453 11.5453 k = 0.5404-0.0826-1.3306 ( 5626 PWs) bands (ev): -16.6281 -16.6281 -16.6273 -16.6273 -16.6221 -16.6221 -16.6217 -16.6217 -13.6611 -13.6611 -13.6592 -13.6592 -13.6481 -13.6481 -13.6457 -13.6457 -13.6352 -13.6352 -13.6319 -13.6319 -4.6311 -4.6311 -3.5356 -3.5356 -3.3327 -3.3327 -2.4822 -2.4822 -1.9410 -1.9410 2.8500 2.8500 3.4312 3.4312 3.8261 3.8261 4.5391 4.5391 4.7495 4.7495 5.3406 5.3406 6.5564 6.5564 6.7788 6.7788 7.1081 7.1081 8.6913 8.6913 9.4384 9.4384 9.6665 9.6665 10.7508 10.7508 11.4779 11.4779 k = 0.5337-0.0510-1.3306 ( 5628 PWs) bands (ev): -16.6281 -16.6281 -16.6274 -16.6274 -16.6221 -16.6221 -16.6217 -16.6217 -13.6613 -13.6613 -13.6593 -13.6593 -13.6481 -13.6481 -13.6456 -13.6456 -13.6351 -13.6351 -13.6318 -13.6318 -4.6372 -4.6372 -3.5489 -3.5489 -3.3431 -3.3431 -2.4789 -2.4789 -1.9182 -1.9182 2.8385 2.8385 3.4269 3.4269 3.8119 3.8119 4.5690 4.5690 4.8340 4.8340 5.4470 5.4470 6.4803 6.4803 6.6991 6.6991 7.0606 7.0606 8.7217 8.7217 9.4859 9.4859 9.7126 9.7126 10.6839 10.6839 11.4149 11.4149 k = 0.5269-0.0195-1.3306 ( 5634 PWs) bands (ev): -16.6280 -16.6280 -16.6275 -16.6275 -16.6220 -16.6220 -16.6217 -16.6217 -13.6614 -13.6614 -13.6595 -13.6595 -13.6480 -13.6480 -13.6455 -13.6455 -13.6351 -13.6351 -13.6317 -13.6317 -4.6422 -4.6422 -3.5598 -3.5598 -3.3516 -3.3516 -2.4762 -2.4762 -1.8994 -1.8994 2.8291 2.8291 3.4235 3.4235 3.8000 3.8000 4.5838 4.5838 4.9274 4.9274 5.5511 5.5511 6.4016 6.4016 6.6127 6.6127 7.0252 7.0252 8.7458 8.7458 9.5153 9.5153 9.7797 9.7797 10.6222 10.6222 11.3596 11.3596 k = 0.5202 0.0121-1.3306 ( 5642 PWs) bands (ev): -16.6280 -16.6280 -16.6276 -16.6276 -16.6220 -16.6220 -16.6217 -16.6217 -13.6615 -13.6615 -13.6596 -13.6596 -13.6480 -13.6480 -13.6454 -13.6454 -13.6351 -13.6351 -13.6316 -13.6316 -4.6461 -4.6461 -3.5683 -3.5683 -3.3582 -3.3582 -2.4743 -2.4743 -1.8847 -1.8847 2.8217 2.8217 3.4209 3.4209 3.7906 3.7906 4.5917 4.5917 5.0175 5.0175 5.6484 5.6484 6.3294 6.3294 6.5221 6.5221 7.0007 7.0007 8.7637 8.7637 9.5316 9.5316 9.8570 9.8570 10.5644 10.5644 11.3154 11.3154 k = 0.5135 0.0436-1.3306 ( 5636 PWs) bands (ev): -16.6279 -16.6279 -16.6276 -16.6276 -16.6220 -16.6220 -16.6217 -16.6217 -13.6616 -13.6616 -13.6596 -13.6596 -13.6480 -13.6480 -13.6453 -13.6453 -13.6350 -13.6350 -13.6315 -13.6315 -4.6490 -4.6490 -3.5744 -3.5744 -3.3630 -3.3630 -2.4729 -2.4729 -1.8741 -1.8741 2.8164 2.8164 3.4190 3.4190 3.7837 3.7837 4.5961 4.5961 5.0941 5.0941 5.7314 5.7314 6.2759 6.2759 6.4324 6.4324 6.9850 6.9850 8.7760 8.7760 9.5404 9.5404 9.9315 9.9315 10.5115 10.5115 11.2844 11.2844 k = 0.5067 0.0751-1.3306 ( 5646 PWs) bands (ev): -16.6279 -16.6279 -16.6277 -16.6277 -16.6219 -16.6219 -16.6218 -16.6218 -13.6617 -13.6617 -13.6597 -13.6597 -13.6480 -13.6480 -13.6453 -13.6453 -13.6350 -13.6350 -13.6315 -13.6315 -4.6507 -4.6507 -3.5780 -3.5780 -3.3658 -3.3658 -2.4721 -2.4721 -1.8678 -1.8678 2.8132 2.8132 3.4180 3.4180 3.7796 3.7796 4.5984 4.5984 5.1469 5.1469 5.7886 5.7886 6.2552 6.2552 6.3525 6.3525 6.9762 6.9762 8.7831 8.7831 9.5447 9.5447 9.9886 9.9886 10.4702 10.4702 11.2667 11.2667 k = 0.5000 0.1067-1.3306 ( 5648 PWs) bands (ev): -16.6279 -16.6279 -16.6277 -16.6277 -16.6219 -16.6219 -16.6218 -16.6218 -13.6617 -13.6617 -13.6597 -13.6597 -13.6480 -13.6480 -13.6453 -13.6453 -13.6350 -13.6350 -13.6315 -13.6315 -4.6513 -4.6513 -3.5792 -3.5792 -3.3668 -3.3668 -2.4718 -2.4718 -1.8656 -1.8656 2.8121 2.8121 3.4176 3.4176 3.7782 3.7782 4.5991 4.5991 5.1659 5.1659 5.8090 5.8090 6.2635 6.2635 6.3078 6.3078 6.9734 6.9734 8.7854 8.7854 9.5460 9.5460 10.0108 10.0108 10.4536 10.4536 11.2611 11.2611 k = 0.5000 0.1067-1.3306 ( 5648 PWs) bands (ev): -16.6279 -16.6279 -16.6277 -16.6277 -16.6219 -16.6219 -16.6218 -16.6218 -13.6617 -13.6617 -13.6597 -13.6597 -13.6480 -13.6480 -13.6453 -13.6453 -13.6350 -13.6350 -13.6315 -13.6315 -4.6513 -4.6513 -3.5792 -3.5792 -3.3668 -3.3668 -2.4718 -2.4718 -1.8656 -1.8656 2.8121 2.8121 3.4176 3.4176 3.7782 3.7782 4.5991 4.5991 5.1659 5.1659 5.8090 5.8090 6.2635 6.2635 6.3078 6.3078 6.9734 6.9734 8.7854 8.7854 9.5460 9.5460 10.0108 10.0108 10.4536 10.4536 11.2611 11.2611 k = 0.5269 0.1124-1.3200 ( 5648 PWs) bands (ev): -16.6279 -16.6279 -16.6277 -16.6277 -16.6219 -16.6219 -16.6218 -16.6218 -13.6617 -13.6617 -13.6597 -13.6597 -13.6480 -13.6480 -13.6453 -13.6453 -13.6350 -13.6350 -13.6315 -13.6315 -4.6514 -4.6514 -3.5785 -3.5785 -3.3686 -3.3686 -2.4691 -2.4691 -1.8673 -1.8673 2.8087 2.8087 3.4226 3.4226 3.7810 3.7810 4.6001 4.6001 5.1587 5.1587 5.8101 5.8101 6.2181 6.2181 6.3599 6.3599 6.9671 6.9671 8.7897 8.7897 9.5390 9.5390 10.0159 10.0159 10.4504 10.4504 11.2432 11.2432 k = 0.5538 0.1182-1.3094 ( 5646 PWs) bands (ev): -16.6279 -16.6279 -16.6277 -16.6277 -16.6219 -16.6219 -16.6218 -16.6218 -13.6617 -13.6617 -13.6597 -13.6597 -13.6480 -13.6480 -13.6453 -13.6453 -13.6350 -13.6350 -13.6315 -13.6315 -4.6518 -4.6518 -3.5765 -3.5765 -3.3740 -3.3740 -2.4609 -2.4609 -1.8722 -1.8722 2.7986 2.7986 3.4372 3.4372 3.7893 3.7893 4.6033 4.6033 5.1382 5.1382 5.8105 5.8105 6.1665 6.1665 6.4331 6.4331 6.9491 6.9491 8.8013 8.8013 9.5205 9.5205 10.0292 10.0292 10.4404 10.4404 11.2094 11.2094 k = 0.5808 0.1239-1.2988 ( 5636 PWs) bands (ev): -16.6279 -16.6279 -16.6277 -16.6277 -16.6219 -16.6219 -16.6217 -16.6217 -13.6617 -13.6617 -13.6597 -13.6597 -13.6480 -13.6480 -13.6453 -13.6453 -13.6350 -13.6350 -13.6315 -13.6315 -4.6525 -4.6525 -3.5731 -3.5731 -3.3826 -3.3826 -2.4476 -2.4476 -1.8804 -1.8804 2.7831 2.7831 3.4603 3.4603 3.8031 3.8031 4.6084 4.6084 5.1064 5.1064 5.8038 5.8038 6.1298 6.1298 6.5101 6.5101 6.9210 6.9210 8.8168 8.8168 9.4966 9.4966 10.0461 10.0461 10.4242 10.4242 11.1805 11.1805 k = 0.6077 0.1297-1.2883 ( 5630 PWs) bands (ev): -16.6279 -16.6279 -16.6277 -16.6277 -16.6219 -16.6219 -16.6217 -16.6217 -13.6617 -13.6617 -13.6597 -13.6597 -13.6480 -13.6480 -13.6453 -13.6453 -13.6350 -13.6350 -13.6315 -13.6315 -4.6535 -4.6535 -3.5684 -3.5684 -3.3942 -3.3942 -2.4296 -2.4296 -1.8916 -1.8916 2.7634 2.7634 3.4905 3.4905 3.8223 3.8223 4.6152 4.6152 5.0664 5.0664 5.7830 5.7830 6.1131 6.1131 6.5884 6.5884 6.8860 6.8860 8.8304 8.8304 9.4756 9.4756 10.0605 10.0605 10.4038 10.4038 11.1644 11.1644 k = 0.6346 0.1354-1.2777 ( 5628 PWs) bands (ev): -16.6279 -16.6279 -16.6277 -16.6277 -16.6219 -16.6219 -16.6217 -16.6217 -13.6617 -13.6617 -13.6597 -13.6597 -13.6480 -13.6480 -13.6453 -13.6453 -13.6350 -13.6350 -13.6315 -13.6315 -4.6548 -4.6548 -3.5625 -3.5625 -3.4081 -3.4081 -2.4074 -2.4074 -1.9059 -1.9059 2.7407 2.7407 3.5265 3.5265 3.8469 3.8469 4.6234 4.6234 5.0209 5.0209 5.7470 5.7470 6.1141 6.1141 6.6648 6.6648 6.8497 6.8497 8.8353 8.8353 9.4661 9.4661 10.0660 10.0660 10.3844 10.3844 11.1630 11.1630 k = 0.6615 0.1411-1.2671 ( 5630 PWs) bands (ev): -16.6279 -16.6279 -16.6277 -16.6277 -16.6219 -16.6219 -16.6217 -16.6217 -13.6617 -13.6617 -13.6597 -13.6597 -13.6480 -13.6480 -13.6453 -13.6453 -13.6351 -13.6351 -13.6315 -13.6315 -4.6563 -4.6563 -3.5556 -3.5556 -3.4238 -3.4238 -2.3815 -2.3815 -1.9230 -1.9230 2.7164 2.7164 3.5669 3.5669 3.8766 3.8766 4.6323 4.6323 4.9727 4.9727 5.7003 5.7003 6.1247 6.1247 6.7257 6.7257 6.8292 6.8292 8.8249 8.8249 9.4746 9.4746 10.0567 10.0567 10.3727 10.3727 11.1750 11.1750 k = 0.6615 0.1411-1.2671 ( 5630 PWs) bands (ev): -16.6279 -16.6279 -16.6277 -16.6277 -16.6219 -16.6219 -16.6217 -16.6217 -13.6617 -13.6617 -13.6597 -13.6597 -13.6480 -13.6480 -13.6453 -13.6453 -13.6351 -13.6351 -13.6315 -13.6315 -4.6563 -4.6563 -3.5556 -3.5556 -3.4238 -3.4238 -2.3815 -2.3815 -1.9230 -1.9230 2.7164 2.7164 3.5669 3.5669 3.8766 3.8766 4.6323 4.6323 4.9727 4.9727 5.7003 5.7003 6.1247 6.1247 6.7257 6.7257 6.8292 6.8292 8.8249 8.8249 9.4746 9.4746 10.0567 10.0567 10.3727 10.3727 11.1750 11.1750 k = 0.6577 0.1403-1.2354 ( 5629 PWs) bands (ev): -16.6279 -16.6279 -16.6278 -16.6278 -16.6219 -16.6219 -16.6217 -16.6217 -13.6616 -13.6616 -13.6596 -13.6596 -13.6480 -13.6480 -13.6453 -13.6453 -13.6351 -13.6351 -13.6316 -13.6316 -4.6672 -4.6672 -3.5429 -3.5429 -3.4624 -3.4624 -2.3362 -2.3362 -1.9338 -1.9338 2.7516 2.7516 3.5223 3.5223 3.8924 3.8924 4.6396 4.6396 4.9641 4.9641 5.6963 5.6963 6.1466 6.1466 6.7469 6.7469 6.8717 6.8717 8.7920 8.7920 9.4357 9.4357 10.0531 10.0531 10.3697 10.3697 11.1835 11.1835 k = 0.6538 0.1395-1.2037 ( 5623 PWs) bands (ev): -16.6279 -16.6279 -16.6278 -16.6278 -16.6220 -16.6220 -16.6217 -16.6217 -13.6616 -13.6616 -13.6595 -13.6595 -13.6480 -13.6480 -13.6453 -13.6453 -13.6352 -13.6352 -13.6317 -13.6317 -4.6840 -4.6840 -3.5300 -3.5300 -3.5079 -3.5079 -2.2825 -2.2825 -1.9411 -1.9411 2.7891 2.7891 3.4833 3.4833 3.9145 3.9145 4.6497 4.6497 4.9571 4.9571 5.6930 5.6930 6.1692 6.1692 6.7667 6.7667 6.9149 6.9149 8.7597 8.7597 9.4041 9.4041 10.0498 10.0498 10.3671 10.3671 11.1938 11.1938 k = 0.6500 0.1387-1.1721 ( 5625 PWs) bands (ev): -16.6279 -16.6279 -16.6278 -16.6278 -16.6220 -16.6220 -16.6217 -16.6217 -13.6615 -13.6615 -13.6595 -13.6595 -13.6480 -13.6480 -13.6454 -13.6454 -13.6353 -13.6353 -13.6318 -13.6318 -4.7060 -4.7060 -3.5591 -3.5591 -3.5167 -3.5167 -2.2225 -2.2225 -1.9448 -1.9448 2.8274 2.8274 3.4524 3.4524 3.9418 3.9418 4.6626 4.6626 4.9518 4.9518 5.6908 5.6908 6.1923 6.1923 6.7858 6.7858 6.9564 6.9564 8.7293 8.7293 9.3801 9.3801 10.0468 10.0468 10.3650 10.3650 11.2056 11.2056 k = 0.6461 0.1379-1.1404 ( 5637 PWs) bands (ev): -16.6280 -16.6280 -16.6278 -16.6278 -16.6220 -16.6220 -16.6217 -16.6217 -13.6614 -13.6614 -13.6594 -13.6594 -13.6480 -13.6480 -13.6454 -13.6454 -13.6354 -13.6354 -13.6319 -13.6319 -4.7328 -4.7328 -3.6137 -3.6137 -3.5045 -3.5045 -2.1576 -2.1576 -1.9448 -1.9448 2.8649 2.8649 3.4318 3.4318 3.9736 3.9736 4.6783 4.6783 4.9481 4.9481 5.6899 5.6899 6.2158 6.2158 6.8042 6.8042 6.9947 6.9947 8.7018 8.7018 9.3635 9.3635 10.0440 10.0440 10.3633 10.3633 11.2186 11.2186 k = 0.6423 0.1370-1.1087 ( 5645 PWs) bands (ev): -16.6280 -16.6280 -16.6279 -16.6279 -16.6221 -16.6221 -16.6217 -16.6217 -13.6613 -13.6613 -13.6592 -13.6592 -13.6480 -13.6480 -13.6455 -13.6455 -13.6355 -13.6355 -13.6321 -13.6321 -4.7638 -4.7638 -3.6710 -3.6710 -3.4934 -3.4934 -2.0891 -2.0891 -1.9410 -1.9410 2.9000 2.9000 3.4235 3.4235 4.0096 4.0096 4.6967 4.6967 4.9463 4.9463 5.6904 5.6904 6.2396 6.2396 6.8218 6.8218 7.0289 7.0289 8.6781 8.6781 9.3544 9.3544 10.0414 10.0414 10.3619 10.3619 11.2325 11.2325 k = 0.6385 0.1362-1.0770 ( 5646 PWs) bands (ev): -16.6280 -16.6280 -16.6279 -16.6279 -16.6221 -16.6221 -16.6216 -16.6216 -13.6611 -13.6611 -13.6591 -13.6591 -13.6481 -13.6481 -13.6456 -13.6456 -13.6357 -13.6357 -13.6323 -13.6323 -4.7983 -4.7983 -3.7301 -3.7301 -3.4838 -3.4838 -2.0184 -2.0184 -1.9332 -1.9332 2.9309 2.9309 3.4293 3.4293 4.0494 4.0494 4.7178 4.7178 4.9465 4.9465 5.6927 5.6927 6.2637 6.2637 6.8377 6.8377 7.0586 7.0586 8.6587 8.6587 9.3528 9.3528 10.0389 10.0389 10.3608 10.3608 11.2471 11.2471 k = 0.6346 0.1354-1.0453 ( 5632 PWs) bands (ev): -16.6281 -16.6281 -16.6279 -16.6279 -16.6221 -16.6221 -16.6216 -16.6216 -13.6610 -13.6610 -13.6589 -13.6589 -13.6481 -13.6481 -13.6456 -13.6456 -13.6359 -13.6359 -13.6325 -13.6325 -4.8358 -4.8358 -3.7903 -3.7903 -3.4761 -3.4761 -1.9508 -1.9508 -1.9171 -1.9171 2.9569 2.9569 3.4501 3.4501 4.0929 4.0929 4.7414 4.7414 4.9490 4.9490 5.6966 5.6966 6.2882 6.2882 6.8511 6.8511 7.0842 7.0842 8.6436 8.6436 9.3587 9.3587 10.0364 10.0364 10.3600 10.3600 11.2619 11.2619 k = 0.6308 0.1346-1.0137 ( 5629 PWs) bands (ev): -16.6282 -16.6282 -16.6280 -16.6280 -16.6222 -16.6222 -16.6216 -16.6216 -13.6608 -13.6608 -13.6587 -13.6587 -13.6481 -13.6481 -13.6457 -13.6457 -13.6361 -13.6361 -13.6327 -13.6327 -4.8758 -4.8758 -3.8511 -3.8511 -3.4706 -3.4706 -1.9179 -1.9179 -1.8619 -1.8619 2.9786 2.9786 3.4853 3.4853 4.1396 4.1396 4.7674 4.7674 4.9540 4.9540 5.7022 5.7022 6.3130 6.3130 6.8607 6.8607 7.1069 7.1069 8.6322 8.6322 9.3721 9.3721 10.0338 10.0338 10.3596 10.3596 11.2766 11.2766 k = 0.6269 0.1338-0.9820 ( 5626 PWs) bands (ev): -16.6282 -16.6282 -16.6280 -16.6280 -16.6222 -16.6222 -16.6216 -16.6216 -13.6607 -13.6607 -13.6586 -13.6586 -13.6481 -13.6481 -13.6458 -13.6458 -13.6363 -13.6363 -13.6330 -13.6330 -4.9178 -4.9178 -3.9121 -3.9121 -3.4674 -3.4674 -1.9007 -1.9007 -1.7874 -1.7874 2.9976 2.9976 3.5330 3.5330 4.1893 4.1893 4.7954 4.7954 4.9621 4.9621 5.7096 5.7096 6.3380 6.3380 6.8653 6.8653 7.1283 7.1283 8.6235 8.6235 9.3930 9.3930 10.0310 10.0310 10.3596 10.3596 11.2906 11.2906 k = 0.6231 0.1329-0.9503 ( 5626 PWs) bands (ev): -16.6283 -16.6283 -16.6281 -16.6281 -16.6222 -16.6222 -16.6216 -16.6216 -13.6605 -13.6605 -13.6584 -13.6584 -13.6481 -13.6481 -13.6459 -13.6459 -13.6365 -13.6365 -13.6332 -13.6332 -4.9612 -4.9612 -3.9729 -3.9729 -3.4665 -3.4665 -1.8830 -1.8830 -1.7105 -1.7105 3.0161 3.0161 3.5910 3.5910 4.2417 4.2417 4.8250 4.8250 4.9742 4.9742 5.7188 5.7188 6.3630 6.3630 6.8638 6.8638 7.1503 7.1503 8.6161 8.6161 9.4210 9.4210 10.0281 10.0281 10.3604 10.3604 11.3037 11.3037 k = 0.6192 0.1321-0.9186 ( 5624 PWs) bands (ev): -16.6284 -16.6284 -16.6282 -16.6282 -16.6223 -16.6223 -16.6215 -16.6215 -13.6603 -13.6603 -13.6581 -13.6581 -13.6481 -13.6481 -13.6460 -13.6460 -13.6368 -13.6368 -13.6335 -13.6335 -5.0058 -5.0058 -4.0333 -4.0333 -3.4681 -3.4681 -1.8642 -1.8642 -1.6327 -1.6327 3.0363 3.0363 3.6571 3.6571 4.2961 4.2961 4.8556 4.8556 4.9912 4.9912 5.7297 5.7297 6.3880 6.3880 6.8559 6.8559 7.1743 7.1743 8.6089 8.6089 9.4552 9.4552 10.0250 10.0250 10.3620 10.3620 11.3152 11.3152 k = 0.6154 0.1313-0.8869 ( 5618 PWs) bands (ev): -16.6284 -16.6284 -16.6283 -16.6283 -16.6223 -16.6223 -16.6215 -16.6215 -13.6601 -13.6601 -13.6579 -13.6579 -13.6481 -13.6481 -13.6461 -13.6461 -13.6370 -13.6370 -13.6338 -13.6338 -5.0510 -5.0510 -4.0931 -4.0931 -3.4719 -3.4719 -1.8445 -1.8445 -1.5545 -1.5545 3.0598 3.0598 3.7291 3.7291 4.3520 4.3520 4.8862 4.8862 5.0146 5.0146 5.7424 5.7424 6.4125 6.4125 6.8424 6.8424 7.2011 7.2011 8.6005 8.6005 9.4941 9.4941 10.0219 10.0219 10.3651 10.3651 11.3248 11.3248 k = 0.6115 0.1305-0.8553 ( 5621 PWs) bands (ev): -16.6285 -16.6285 -16.6283 -16.6283 -16.6223 -16.6223 -16.6215 -16.6215 -13.6599 -13.6599 -13.6577 -13.6577 -13.6481 -13.6481 -13.6462 -13.6462 -13.6373 -13.6373 -13.6341 -13.6341 -5.0967 -5.0967 -4.1520 -4.1520 -3.4778 -3.4778 -1.8243 -1.8243 -1.4762 -1.4762 3.0880 3.0880 3.8056 3.8056 4.4085 4.4085 4.9165 4.9165 5.0455 5.0455 5.7567 5.7567 6.4361 6.4361 6.8246 6.8246 7.2309 7.2309 8.5900 8.5900 9.5357 9.5357 10.0188 10.0188 10.3704 10.3704 11.3318 11.3318 k = 0.6077 0.1297-0.8236 ( 5619 PWs) bands (ev): -16.6286 -16.6286 -16.6284 -16.6284 -16.6224 -16.6224 -16.6215 -16.6215 -13.6597 -13.6597 -13.6575 -13.6575 -13.6481 -13.6481 -13.6463 -13.6463 -13.6375 -13.6375 -13.6344 -13.6344 -5.1424 -5.1424 -4.2099 -4.2099 -3.4857 -3.4857 -1.8041 -1.8041 -1.3979 -1.3979 3.1217 3.1217 3.8853 3.8853 4.4644 4.4644 4.9468 4.9468 5.0846 5.0846 5.7727 5.7727 6.4581 6.4581 6.8047 6.8047 7.2635 7.2635 8.5768 8.5768 9.5772 9.5772 10.0159 10.0159 10.3791 10.3791 11.3360 11.3360 k = 0.6038 0.1288-0.7919 ( 5620 PWs) bands (ev): -16.6287 -16.6287 -16.6285 -16.6285 -16.6224 -16.6224 -16.6214 -16.6214 -13.6596 -13.6596 -13.6573 -13.6573 -13.6481 -13.6481 -13.6464 -13.6464 -13.6378 -13.6378 -13.6347 -13.6347 -5.1880 -5.1880 -4.2667 -4.2667 -3.4954 -3.4954 -1.7841 -1.7841 -1.3200 -1.3200 3.1615 3.1615 3.9673 3.9673 4.5184 4.5184 4.9785 4.9785 5.1316 5.1316 5.7904 5.7904 6.4773 6.4773 6.7849 6.7849 7.2986 7.2986 8.5605 8.5605 9.6153 9.6153 10.0129 10.0129 10.3927 10.3927 11.3366 11.3366 k = 0.6000 0.1280-0.7602 ( 5628 PWs) bands (ev): -16.6288 -16.6288 -16.6286 -16.6286 -16.6224 -16.6224 -16.6214 -16.6214 -13.6594 -13.6594 -13.6571 -13.6571 -13.6481 -13.6481 -13.6465 -13.6465 -13.6381 -13.6381 -13.6351 -13.6351 -5.2332 -5.2332 -4.3221 -4.3221 -3.5066 -3.5066 -1.7648 -1.7648 -1.2425 -1.2425 3.2079 3.2079 4.0507 4.0507 4.5690 4.5690 5.0132 5.0132 5.1859 5.1859 5.8099 5.8099 6.4924 6.4924 6.7681 6.7681 7.3358 7.3358 8.5410 8.5410 9.6469 9.6469 10.0093 10.0093 10.4132 10.4132 11.3330 11.3330 k = 0.5961 0.1272-0.7285 ( 5624 PWs) bands (ev): -16.6289 -16.6289 -16.6287 -16.6287 -16.6225 -16.6225 -16.6214 -16.6214 -13.6592 -13.6592 -13.6570 -13.6570 -13.6481 -13.6481 -13.6466 -13.6466 -13.6384 -13.6384 -13.6354 -13.6354 -5.2778 -5.2778 -4.3761 -4.3761 -3.5191 -3.5191 -1.7464 -1.7464 -1.1658 -1.1658 3.2611 3.2611 4.1349 4.1349 4.6150 4.6150 5.0524 5.0524 5.2468 5.2468 5.8311 5.8311 6.5017 6.5017 6.7572 6.7572 7.3747 7.3747 8.5181 8.5181 9.6695 9.6695 10.0037 10.0037 10.4424 10.4424 11.3241 11.3241 k = 0.5923 0.1264-0.6969 ( 5614 PWs) bands (ev): -16.6290 -16.6290 -16.6288 -16.6288 -16.6225 -16.6225 -16.6213 -16.6213 -13.6591 -13.6591 -13.6568 -13.6568 -13.6480 -13.6480 -13.6466 -13.6466 -13.6386 -13.6386 -13.6357 -13.6357 -5.3216 -5.3216 -4.4286 -4.4286 -3.5327 -3.5327 -1.7293 -1.7293 -1.0899 -1.0899 3.3212 3.3212 4.2193 4.2193 4.6554 4.6554 5.0967 5.0967 5.3137 5.3137 5.8545 5.8545 6.5041 6.5041 6.7541 6.7541 7.4150 7.4150 8.4920 8.4920 9.6820 9.6820 9.9942 9.9942 10.4812 10.4812 11.3082 11.3082 k = 0.5885 0.1256-0.6652 ( 5605 PWs) bands (ev): -16.6291 -16.6291 -16.6289 -16.6289 -16.6225 -16.6225 -16.6213 -16.6213 -13.6590 -13.6590 -13.6567 -13.6567 -13.6480 -13.6480 -13.6467 -13.6467 -13.6389 -13.6389 -13.6360 -13.6360 -5.3645 -5.3645 -4.4795 -4.4795 -3.5472 -3.5472 -1.7135 -1.7135 -1.0150 -1.0150 3.3883 3.3883 4.3032 4.3032 4.6902 4.6902 5.1464 5.1464 5.3855 5.3855 5.8803 5.8803 6.5001 6.5001 6.7594 6.7594 7.4562 7.4562 8.4628 8.4628 9.6849 9.6849 9.9788 9.9788 10.5291 10.5291 11.2819 11.2819 k = 0.5846 0.1247-0.6335 ( 5617 PWs) bands (ev): -16.6293 -16.6293 -16.6291 -16.6291 -16.6225 -16.6225 -16.6213 -16.6213 -13.6589 -13.6589 -13.6566 -13.6566 -13.6479 -13.6479 -13.6467 -13.6467 -13.6392 -13.6392 -13.6363 -13.6363 -5.4063 -5.4063 -4.5287 -4.5287 -3.5624 -3.5624 -1.6993 -1.6993 -0.9413 -0.9413 3.4621 3.4621 4.3860 4.3860 4.7202 4.7202 5.2006 5.2006 5.4608 5.4608 5.9094 5.9094 6.4922 6.4922 6.7718 6.7718 7.4981 7.4981 8.4306 8.4306 9.6794 9.6794 9.9561 9.9561 10.5841 10.5841 11.2387 11.2387 k = 0.5808 0.1239-0.6018 ( 5608 PWs) bands (ev): -16.6294 -16.6294 -16.6292 -16.6292 -16.6225 -16.6225 -16.6212 -16.6212 -13.6588 -13.6588 -13.6565 -13.6565 -13.6479 -13.6479 -13.6466 -13.6466 -13.6395 -13.6395 -13.6366 -13.6366 -5.4468 -5.4468 -4.5762 -4.5762 -3.5780 -3.5780 -1.6866 -1.6866 -0.8690 -0.8690 3.5427 3.5427 4.4665 4.4665 4.7470 4.7470 5.2587 5.2587 5.5371 5.5371 5.9430 5.9430 6.4833 6.4833 6.7892 6.7892 7.5402 7.5402 8.3959 8.3959 9.6671 9.6671 9.9251 9.9251 10.6432 10.6432 11.1704 11.1704 k = 0.5769 0.1231-0.5701 ( 5619 PWs) bands (ev): -16.6295 -16.6295 -16.6293 -16.6293 -16.6226 -16.6226 -16.6212 -16.6212 -13.6588 -13.6588 -13.6564 -13.6564 -13.6478 -13.6478 -13.6466 -13.6466 -13.6397 -13.6397 -13.6369 -13.6369 -5.4861 -5.4861 -4.6218 -4.6218 -3.5940 -3.5940 -1.6756 -1.6756 -0.7984 -0.7984 3.6297 3.6297 4.5427 4.5427 4.7731 4.7731 5.3196 5.3196 5.6110 5.6110 5.9826 5.9826 6.4767 6.4767 6.8095 6.8095 7.5822 7.5822 8.3588 8.3588 9.6493 9.6493 9.8854 9.8854 10.7023 10.7023 11.0756 11.0756 k = 0.5731 0.1223-0.5385 ( 5622 PWs) bands (ev): -16.6296 -16.6296 -16.6294 -16.6294 -16.6226 -16.6226 -16.6212 -16.6212 -13.6588 -13.6588 -13.6564 -13.6564 -13.6477 -13.6477 -13.6465 -13.6465 -13.6400 -13.6400 -13.6371 -13.6371 -5.5239 -5.5239 -4.6655 -4.6655 -3.6102 -3.6102 -1.6661 -1.6661 -0.7295 -0.7295 3.7229 3.7229 4.6110 4.6110 4.8031 4.8031 5.3827 5.3827 5.6787 5.6787 6.0299 6.0299 6.4756 6.4756 6.8314 6.8314 7.6234 7.6234 8.3199 8.3199 9.6273 9.6273 9.8366 9.8366 10.7551 10.7551 10.9671 10.9671 k = 0.5692 0.1215-0.5068 ( 5628 PWs) bands (ev): -16.6297 -16.6297 -16.6295 -16.6295 -16.6226 -16.6226 -16.6211 -16.6211 -13.6588 -13.6588 -13.6564 -13.6564 -13.6476 -13.6476 -13.6464 -13.6464 -13.6402 -13.6402 -13.6374 -13.6374 -5.5602 -5.5602 -4.7072 -4.7072 -3.6263 -3.6263 -1.6581 -1.6581 -0.6626 -0.6626 3.8220 3.8220 4.6652 4.6652 4.8436 4.8436 5.4472 5.4472 5.7369 5.7369 6.0845 6.0845 6.4836 6.4836 6.8537 6.8537 7.6634 7.6634 8.2797 8.2797 9.6015 9.6015 9.7791 9.7791 10.7715 10.7715 10.8826 10.8826 k = 0.5654 0.1206-0.4751 ( 5623 PWs) bands (ev): -16.6298 -16.6298 -16.6297 -16.6297 -16.6226 -16.6226 -16.6211 -16.6211 -13.6588 -13.6588 -13.6565 -13.6565 -13.6475 -13.6475 -13.6462 -13.6462 -13.6405 -13.6405 -13.6376 -13.6376 -5.5949 -5.5949 -4.7470 -4.7470 -3.6423 -3.6423 -1.6515 -1.6515 -0.5978 -0.5978 3.9265 3.9265 4.7013 4.7013 4.8990 4.8990 5.5124 5.5124 5.7845 5.7845 6.1429 6.1429 6.5053 6.5053 6.8755 6.8755 7.7013 7.7013 8.2390 8.2390 9.5714 9.5714 9.7138 9.7138 10.6872 10.6872 10.8905 10.8905 k = 0.5615 0.1198-0.4434 ( 5630 PWs) bands (ev): -16.6299 -16.6299 -16.6298 -16.6298 -16.6226 -16.6226 -16.6211 -16.6211 -13.6589 -13.6589 -13.6565 -13.6565 -13.6474 -13.6474 -13.6460 -13.6460 -13.6407 -13.6407 -13.6378 -13.6378 -5.6279 -5.6279 -4.7847 -4.7847 -3.6580 -3.6580 -1.6463 -1.6463 -0.5354 -0.5354 4.0361 4.0361 4.7226 4.7226 4.9665 4.9665 5.5777 5.5777 5.8230 5.8230 6.1982 6.1982 6.5453 6.5453 6.8966 6.8966 7.7360 7.7360 8.1988 8.1988 9.5328 9.5328 9.6457 9.6457 10.5739 10.5739 10.9206 10.9206 k = 0.5577 0.1190-0.4117 ( 5618 PWs) bands (ev): -16.6300 -16.6300 -16.6299 -16.6299 -16.6226 -16.6226 -16.6210 -16.6210 -13.6589 -13.6589 -13.6566 -13.6566 -13.6473 -13.6473 -13.6459 -13.6459 -13.6409 -13.6409 -13.6380 -13.6380 -5.6592 -5.6592 -4.8202 -4.8202 -3.6733 -3.6733 -1.6422 -1.6422 -0.4756 -0.4756 4.1500 4.1500 4.7346 4.7346 5.0406 5.0406 5.6421 5.6421 5.8554 5.8554 6.2448 6.2448 6.6053 6.6053 6.9171 6.9171 7.7659 7.7659 8.1608 8.1608 9.4740 9.4740 9.5873 9.5873 10.4620 10.4620 10.9421 10.9421 k = 0.5538 0.1182-0.3801 ( 5615 PWs) bands (ev): -16.6302 -16.6302 -16.6300 -16.6300 -16.6226 -16.6226 -16.6210 -16.6210 -13.6590 -13.6590 -13.6567 -13.6567 -13.6472 -13.6472 -13.6457 -13.6457 -13.6411 -13.6411 -13.6382 -13.6382 -5.6887 -5.6887 -4.8537 -4.8537 -3.6880 -3.6880 -1.6392 -1.6392 -0.4186 -0.4186 4.2678 4.2678 4.7414 4.7414 5.1178 5.1178 5.7040 5.7040 5.8851 5.8851 6.2817 6.2817 6.6807 6.6807 6.9383 6.9383 7.7886 7.7886 8.1275 8.1275 9.3876 9.3876 9.5476 9.5476 10.3567 10.3567 10.9490 10.9490 k = 0.5500 0.1174-0.3484 ( 5611 PWs) bands (ev): -16.6303 -16.6303 -16.6301 -16.6301 -16.6226 -16.6226 -16.6209 -16.6209 -13.6591 -13.6591 -13.6569 -13.6569 -13.6470 -13.6470 -13.6455 -13.6455 -13.6413 -13.6413 -13.6384 -13.6384 -5.7164 -5.7164 -4.8850 -4.8850 -3.7022 -3.7022 -1.6372 -1.6372 -0.3645 -0.3645 4.3882 4.3882 4.7456 4.7456 5.1959 5.1959 5.7612 5.7612 5.9159 5.9159 6.3122 6.3122 6.7598 6.7598 6.9654 6.9654 7.8008 7.8008 8.1024 8.1024 9.2821 9.2821 9.5201 9.5201 10.2594 10.2594 10.9383 10.9383 k = 0.5462 0.1165-0.3167 ( 5613 PWs) bands (ev): -16.6304 -16.6304 -16.6302 -16.6302 -16.6226 -16.6226 -16.6209 -16.6209 -13.6592 -13.6592 -13.6570 -13.6570 -13.6469 -13.6469 -13.6453 -13.6453 -13.6415 -13.6415 -13.6385 -13.6385 -5.7422 -5.7422 -4.9140 -4.9140 -3.7156 -3.7156 -1.6359 -1.6359 -0.3135 -0.3135 4.5091 4.5091 4.7498 4.7498 5.2735 5.2735 5.8110 5.8110 5.9514 5.9514 6.3397 6.3397 6.8240 6.8240 7.0098 7.0098 7.7991 7.7991 8.0890 8.0890 9.1658 9.1658 9.4995 9.4995 10.1709 10.1709 10.9107 10.9107 k = 0.5423 0.1157-0.2850 ( 5615 PWs) bands (ev): -16.6304 -16.6304 -16.6303 -16.6303 -16.6226 -16.6226 -16.6209 -16.6209 -13.6594 -13.6594 -13.6571 -13.6571 -13.6468 -13.6468 -13.6451 -13.6451 -13.6417 -13.6417 -13.6387 -13.6387 -5.7660 -5.7660 -4.9409 -4.9409 -3.7283 -3.7283 -1.6353 -1.6353 -0.2659 -0.2659 4.6228 4.6228 4.7616 4.7616 5.3495 5.3495 5.8521 5.8521 5.9935 5.9935 6.3669 6.3669 6.8588 6.8588 7.0801 7.0801 7.7831 7.7831 8.0881 8.0881 9.0438 9.0438 9.4835 9.4835 10.0911 10.0911 10.8707 10.8707 k = 0.5385 0.1149-0.2533 ( 5611 PWs) bands (ev): -16.6305 -16.6305 -16.6304 -16.6304 -16.6226 -16.6226 -16.6209 -16.6209 -13.6595 -13.6595 -13.6573 -13.6573 -13.6466 -13.6466 -13.6449 -13.6449 -13.6419 -13.6419 -13.6388 -13.6388 -5.7879 -5.7879 -4.9655 -4.9655 -3.7401 -3.7401 -1.6352 -1.6352 -0.2217 -0.2217 4.6942 4.6942 4.8159 4.8159 5.4228 5.4228 5.8867 5.8867 6.0401 6.0401 6.3954 6.3954 6.8700 6.8700 7.1651 7.1651 7.7560 7.7560 8.0970 8.0970 8.9211 8.9211 9.4713 9.4713 10.0204 10.0204 10.8235 10.8235 k = 0.5346 0.1141-0.2217 ( 5625 PWs) bands (ev): -16.6306 -16.6306 -16.6305 -16.6305 -16.6226 -16.6226 -16.6208 -16.6208 -13.6596 -13.6596 -13.6574 -13.6574 -13.6465 -13.6465 -13.6447 -13.6447 -13.6420 -13.6420 -13.6389 -13.6389 -5.8078 -5.8078 -4.9878 -4.9878 -3.7510 -3.7510 -1.6355 -1.6355 -0.1812 -0.1812 4.7103 4.7103 4.9249 4.9249 5.4916 5.4916 5.9193 5.9193 6.0870 6.0870 6.4264 6.4264 6.8684 6.8684 7.2481 7.2481 7.7237 7.7237 8.1114 8.1114 8.8026 8.8026 9.4617 9.4617 9.9592 9.9592 10.7730 10.7730 k = 0.5308 0.1132-0.1900 ( 5619 PWs) bands (ev): -16.6307 -16.6307 -16.6306 -16.6306 -16.6226 -16.6226 -16.6208 -16.6208 -13.6597 -13.6597 -13.6575 -13.6575 -13.6464 -13.6464 -13.6445 -13.6445 -13.6422 -13.6422 -13.6390 -13.6390 -5.8257 -5.8257 -5.0078 -5.0078 -3.7608 -3.7608 -1.6361 -1.6361 -0.1445 -0.1445 4.7115 4.7115 5.0476 5.0476 5.5542 5.5542 5.9541 5.9541 6.1302 6.1302 6.4604 6.4604 6.8600 6.8600 7.3150 7.3150 7.6929 7.6929 8.1269 8.1269 8.6951 8.6951 9.4532 9.4532 9.9085 9.9085 10.7216 10.7216 k = 0.5269 0.1124-0.1583 ( 5613 PWs) bands (ev): -16.6307 -16.6307 -16.6306 -16.6306 -16.6226 -16.6226 -16.6208 -16.6208 -13.6599 -13.6599 -13.6577 -13.6577 -13.6462 -13.6462 -13.6443 -13.6443 -13.6423 -13.6423 -13.6391 -13.6391 -5.8415 -5.8415 -5.0255 -5.0255 -3.7697 -3.7697 -1.6369 -1.6369 -0.1118 -0.1118 4.7090 4.7090 5.1711 5.1711 5.6085 5.6085 5.9941 5.9941 6.1668 6.1668 6.4968 6.4968 6.8489 6.8489 7.3525 7.3525 7.6706 7.6706 8.1397 8.1397 8.6069 8.6069 9.4441 9.4441 9.8699 9.8699 10.6708 10.6708 k = 0.5231 0.1116-0.1266 ( 5611 PWs) bands (ev): -16.6308 -16.6308 -16.6307 -16.6307 -16.6226 -16.6226 -16.6208 -16.6208 -13.6600 -13.6600 -13.6578 -13.6578 -13.6461 -13.6461 -13.6441 -13.6441 -13.6424 -13.6424 -13.6392 -13.6392 -5.8552 -5.8552 -5.0409 -5.0409 -3.7774 -3.7774 -1.6378 -1.6378 -0.0831 -0.0831 4.7055 4.7055 5.2915 5.2915 5.6532 5.6532 6.0409 6.0409 6.1953 6.1953 6.5336 6.5336 6.8395 6.8395 7.3523 7.3523 7.6579 7.6579 8.1472 8.1472 8.5468 8.5468 9.4324 9.4324 9.8449 9.8449 10.6216 10.6216 k = 0.5192 0.1108-0.0949 ( 5611 PWs) bands (ev): -16.6309 -16.6309 -16.6308 -16.6308 -16.6226 -16.6226 -16.6207 -16.6207 -13.6600 -13.6600 -13.6579 -13.6579 -13.6460 -13.6460 -13.6439 -13.6439 -13.6425 -13.6425 -13.6393 -13.6393 -5.8669 -5.8669 -5.0539 -5.0539 -3.7840 -3.7840 -1.6386 -1.6386 -0.0587 -0.0587 4.7018 4.7018 5.4056 5.4056 5.6878 5.6878 6.0935 6.0935 6.2149 6.2149 6.5676 6.5676 6.8364 6.8364 7.3199 7.3199 7.6441 7.6441 8.1505 8.1505 8.5191 8.5191 9.4171 9.4171 9.8341 9.8341 10.5732 10.5732 k = 0.5154 0.1100-0.0633 ( 5605 PWs) bands (ev): -16.6309 -16.6309 -16.6308 -16.6308 -16.6226 -16.6226 -16.6207 -16.6207 -13.6601 -13.6601 -13.6579 -13.6579 -13.6460 -13.6460 -13.6438 -13.6438 -13.6426 -13.6426 -13.6393 -13.6393 -5.8765 -5.8765 -5.0646 -5.0646 -3.7895 -3.7895 -1.6394 -1.6394 -0.0385 -0.0385 4.6983 4.6983 5.5103 5.5103 5.7134 5.7134 6.1480 6.1480 6.2266 6.2266 6.5955 6.5955 6.8438 6.8438 7.2675 7.2675 7.6183 7.6183 8.1541 8.1541 8.5189 8.5189 9.3988 9.3988 9.8363 9.8363 10.5214 10.5214 k = 0.5115 0.1091-0.0316 ( 5604 PWs) bands (ev): -16.6309 -16.6309 -16.6308 -16.6308 -16.6226 -16.6226 -16.6207 -16.6207 -13.6602 -13.6602 -13.6580 -13.6580 -13.6459 -13.6459 -13.6437 -13.6437 -13.6427 -13.6427 -13.6394 -13.6394 -5.8839 -5.8839 -5.0729 -5.0729 -3.7938 -3.7938 -1.6401 -1.6401 -0.0228 -0.0228 4.6953 4.6953 5.6016 5.6016 5.7313 5.7313 6.1944 6.1944 6.2356 6.2356 6.6178 6.6178 6.8617 6.8617 7.2060 7.2060 7.5814 7.5814 8.1604 8.1604 8.5347 8.5347 9.3798 9.3798 9.8484 9.8484 10.4638 10.4638 k = 0.5077 0.1083 0.0001 ( 5592 PWs) bands (ev): -16.6309 -16.6309 -16.6309 -16.6309 -16.6226 -16.6226 -16.6207 -16.6207 -13.6602 -13.6602 -13.6581 -13.6581 -13.6459 -13.6459 -13.6435 -13.6435 -13.6428 -13.6428 -13.6394 -13.6394 -5.8892 -5.8892 -5.0788 -5.0788 -3.7968 -3.7968 -1.6406 -1.6406 -0.0115 -0.0115 4.6931 4.6931 5.6747 5.6747 5.7429 5.7429 6.2101 6.2101 6.2599 6.2599 6.6377 6.6377 6.8844 6.8844 7.1454 7.1454 7.5428 7.5428 8.1678 8.1678 8.5552 8.5552 9.3628 9.3628 9.8653 9.8653 10.4101 10.4101 k = 0.5038 0.1075 0.0318 ( 5586 PWs) bands (ev): -16.6310 -16.6310 -16.6309 -16.6309 -16.6226 -16.6226 -16.6207 -16.6207 -13.6603 -13.6603 -13.6581 -13.6581 -13.6458 -13.6458 -13.6435 -13.6435 -13.6429 -13.6429 -13.6394 -13.6394 -5.8924 -5.8924 -5.0824 -5.0824 -3.7987 -3.7987 -1.6410 -1.6410 -0.0047 -0.0047 4.6917 4.6917 5.7237 5.7237 5.7487 5.7487 6.2075 6.2075 6.2852 6.2852 6.6553 6.6553 6.9033 6.9033 7.0984 7.0984 7.5138 7.5138 8.1735 8.1735 8.5714 8.5714 9.3511 9.3511 9.8802 9.8802 10.3719 10.3719 k = 0.5000 0.1067 0.0635 ( 5584 PWs) bands (ev): -16.6310 -16.6310 -16.6309 -16.6309 -16.6226 -16.6226 -16.6207 -16.6207 -13.6603 -13.6603 -13.6581 -13.6581 -13.6458 -13.6458 -13.6434 -13.6434 -13.6429 -13.6429 -13.6394 -13.6394 -5.8935 -5.8935 -5.0836 -5.0836 -3.7993 -3.7993 -1.6411 -1.6411 -0.0024 -0.0024 4.6912 4.6912 5.7441 5.7441 5.7475 5.7475 6.2052 6.2052 6.2945 6.2945 6.6631 6.6631 6.9106 6.9106 7.0801 7.0801 7.5030 7.5030 8.1756 8.1756 8.5775 8.5775 9.3469 9.3469 9.8863 9.8863 10.3579 10.3579 k = 0.5000-1.1184-0.6653 ( 5604 PWs) bands (ev): -16.6279 -16.6279 -16.6277 -16.6277 -16.6219 -16.6219 -16.6217 -16.6217 -13.6617 -13.6617 -13.6596 -13.6596 -13.6480 -13.6480 -13.6452 -13.6452 -13.6351 -13.6351 -13.6315 -13.6315 -4.6514 -4.6514 -3.5315 -3.5315 -3.4594 -3.4594 -2.1755 -2.1755 -2.1299 -2.1299 2.4431 2.4431 4.1553 4.1553 4.2526 4.2526 4.5541 4.5541 4.8634 4.8634 5.2541 5.2541 5.4944 5.4944 6.7947 6.7947 7.4809 7.4809 8.2800 8.2800 9.5582 9.5582 10.3248 10.3248 11.0138 11.0138 11.2175 11.2175 k = 0.5294-1.1087-0.6595 ( 5609 PWs) bands (ev): -16.6279 -16.6279 -16.6277 -16.6277 -16.6219 -16.6219 -16.6217 -16.6217 -13.6617 -13.6617 -13.6596 -13.6596 -13.6480 -13.6480 -13.6452 -13.6452 -13.6351 -13.6351 -13.6315 -13.6315 -4.6514 -4.6514 -3.5317 -3.5317 -3.4591 -3.4591 -2.1854 -2.1854 -2.1201 -2.1201 2.4457 2.4457 4.1347 4.1347 4.2688 4.2688 4.5435 4.5435 4.8619 4.8619 5.2581 5.2581 5.5128 5.5128 6.7905 6.7905 7.4697 7.4697 8.2912 8.2912 9.5642 9.5642 10.3174 10.3174 10.9581 10.9581 11.2582 11.2582 k = 0.5587-1.0990-0.6537 ( 5608 PWs) bands (ev): -16.6279 -16.6279 -16.6277 -16.6277 -16.6219 -16.6219 -16.6217 -16.6217 -13.6617 -13.6617 -13.6596 -13.6596 -13.6480 -13.6480 -13.6452 -13.6452 -13.6351 -13.6351 -13.6315 -13.6315 -4.6515 -4.6515 -3.5324 -3.5324 -3.4580 -3.4580 -2.2046 -2.2046 -2.1008 -2.1008 2.4534 2.4534 4.0930 4.0930 4.2925 4.2925 4.5197 4.5197 4.8566 4.8566 5.2717 5.2717 5.5633 5.5633 6.7781 6.7781 7.4376 7.4376 8.3230 8.3230 9.5821 9.5821 10.2944 10.2944 10.8533 10.8533 11.3171 11.3171 k = 0.5881-1.0893-0.6480 ( 5614 PWs) bands (ev): -16.6279 -16.6279 -16.6277 -16.6277 -16.6219 -16.6219 -16.6217 -16.6217 -13.6617 -13.6617 -13.6596 -13.6596 -13.6480 -13.6480 -13.6452 -13.6452 -13.6351 -13.6351 -13.6315 -13.6315 -4.6517 -4.6517 -3.5336 -3.5336 -3.4563 -3.4563 -2.2260 -2.2260 -2.0794 -2.0794 2.4662 2.4662 4.0454 4.0454 4.2937 4.2937 4.5057 4.5057 4.8471 4.8471 5.2963 5.2963 5.6366 5.6366 6.7587 6.7587 7.3889 7.3889 8.3712 8.3712 9.6107 9.6107 10.2531 10.2531 10.7445 10.7445 11.3510 11.3510 k = 0.6175-1.0796-0.6422 ( 5612 PWs) bands (ev): -16.6279 -16.6279 -16.6277 -16.6277 -16.6219 -16.6219 -16.6217 -16.6217 -13.6617 -13.6617 -13.6596 -13.6596 -13.6480 -13.6480 -13.6452 -13.6452 -13.6351 -13.6351 -13.6315 -13.6315 -4.6520 -4.6520 -3.5352 -3.5352 -3.4540 -3.4540 -2.2477 -2.2477 -2.0577 -2.0577 2.4839 2.4839 3.9954 3.9954 4.2577 4.2577 4.5194 4.5194 4.8349 4.8349 5.3309 5.3309 5.7238 5.7238 6.7343 6.7343 7.3278 7.3278 8.4308 8.4308 9.6479 9.6479 10.1912 10.1912 10.6471 10.6471 11.3571 11.3571 k = 0.6468-1.0699-0.6364 ( 5614 PWs) bands (ev): -16.6279 -16.6279 -16.6277 -16.6277 -16.6219 -16.6219 -16.6217 -16.6217 -13.6617 -13.6617 -13.6596 -13.6596 -13.6480 -13.6480 -13.6452 -13.6452 -13.6351 -13.6351 -13.6315 -13.6315 -4.6523 -4.6523 -3.5372 -3.5372 -3.4510 -3.4510 -2.2692 -2.2692 -2.0361 -2.0361 2.5064 2.5064 3.9434 3.9434 4.1975 4.1975 4.5520 4.5520 4.8235 4.8235 5.3733 5.3733 5.8174 5.8174 6.7076 6.7076 7.2583 7.2583 8.4975 8.4975 9.6899 9.6899 10.1101 10.1101 10.5678 10.5678 11.3438 11.3438 k = 0.6762-1.0602-0.6307 ( 5615 PWs) bands (ev): -16.6279 -16.6279 -16.6277 -16.6277 -16.6219 -16.6219 -16.6217 -16.6217 -13.6617 -13.6617 -13.6596 -13.6596 -13.6480 -13.6480 -13.6452 -13.6452 -13.6351 -13.6351 -13.6315 -13.6315 -4.6527 -4.6527 -3.5396 -3.5396 -3.4475 -3.4475 -2.2901 -2.2901 -2.0151 -2.0151 2.5334 2.5334 3.8886 3.8886 4.1295 4.1295 4.5888 4.5888 4.8171 4.8171 5.4217 5.4217 5.9103 5.9103 6.6828 6.6828 7.1829 7.1829 8.5677 8.5677 9.7281 9.7281 10.0216 10.0216 10.5062 10.5062 11.3193 11.3193 k = 0.7056-1.0505-0.6249 ( 5617 PWs) bands (ev): -16.6279 -16.6279 -16.6277 -16.6277 -16.6219 -16.6219 -16.6217 -16.6217 -13.6617 -13.6617 -13.6596 -13.6596 -13.6480 -13.6480 -13.6453 -13.6453 -13.6351 -13.6351 -13.6315 -13.6315 -4.6532 -4.6532 -3.5423 -3.5423 -3.4435 -3.4435 -2.3104 -2.3104 -1.9947 -1.9947 2.5646 2.5646 3.8300 3.8300 4.0632 4.0632 4.6195 4.6195 4.8218 4.8218 5.4743 5.4743 5.9951 5.9951 6.6656 6.6656 7.1037 7.1037 8.6378 8.6378 9.7373 9.7373 9.9573 9.9573 10.4583 10.4583 11.2889 11.2889 k = 0.7350-1.0408-0.6191 ( 5617 PWs) bands (ev): -16.6279 -16.6279 -16.6277 -16.6277 -16.6219 -16.6219 -16.6217 -16.6217 -13.6617 -13.6617 -13.6597 -13.6597 -13.6480 -13.6480 -13.6453 -13.6453 -13.6351 -13.6351 -13.6315 -13.6315 -4.6538 -4.6538 -3.5453 -3.5453 -3.4391 -3.4391 -2.3299 -2.3299 -1.9752 -1.9752 2.5993 2.5993 3.7669 3.7669 4.0036 4.0036 4.6373 4.6373 4.8424 4.8424 5.5299 5.5299 6.0631 6.0631 6.6632 6.6632 7.0225 7.0225 8.7040 8.7040 9.6854 9.6854 9.9554 9.9554 10.4207 10.4207 11.2562 11.2562 k = 0.7643-1.0311-0.6134 ( 5618 PWs) bands (ev): -16.6279 -16.6279 -16.6277 -16.6277 -16.6219 -16.6219 -16.6217 -16.6217 -13.6617 -13.6617 -13.6597 -13.6597 -13.6480 -13.6480 -13.6453 -13.6453 -13.6351 -13.6351 -13.6315 -13.6315 -4.6545 -4.6545 -3.5485 -3.5485 -3.4343 -3.4343 -2.3483 -2.3483 -1.9566 -1.9566 2.6370 2.6370 3.7001 3.7001 3.9529 3.9529 4.6422 4.6422 4.8783 4.8783 5.5873 5.5873 6.1067 6.1067 6.6813 6.6813 6.9411 6.9411 8.7615 8.7615 9.6026 9.6026 9.9907 9.9907 10.3925 10.3925 11.2244 11.2244 k = 0.7937-1.0214-0.6076 ( 5622 PWs) bands (ev): -16.6279 -16.6279 -16.6277 -16.6277 -16.6219 -16.6219 -16.6217 -16.6217 -13.6617 -13.6617 -13.6597 -13.6597 -13.6480 -13.6480 -13.6453 -13.6453 -13.6351 -13.6351 -13.6315 -13.6315 -4.6554 -4.6554 -3.5520 -3.5520 -3.4292 -3.4292 -2.3655 -2.3655 -1.9392 -1.9392 2.6766 2.6766 3.6323 3.6323 3.9109 3.9109 4.6390 4.6390 4.9235 4.9235 5.6448 5.6448 6.1248 6.1248 6.7162 6.7162 6.8650 6.8650 8.8040 8.8040 9.5263 9.5263 10.0296 10.0296 10.3755 10.3755 11.1963 11.1963 k = 0.8231-1.0117-0.6018 ( 5630 PWs) bands (ev): -16.6279 -16.6279 -16.6277 -16.6277 -16.6219 -16.6219 -16.6217 -16.6217 -13.6617 -13.6617 -13.6597 -13.6597 -13.6480 -13.6480 -13.6453 -13.6453 -13.6351 -13.6351 -13.6315 -13.6315 -4.6563 -4.6563 -3.5556 -3.5556 -3.4238 -3.4238 -2.3815 -2.3815 -1.9230 -1.9230 2.7164 2.7164 3.5669 3.5669 3.8766 3.8766 4.6323 4.6323 4.9727 4.9727 5.7003 5.7003 6.1247 6.1247 6.7257 6.7257 6.8292 6.8292 8.8249 8.8249 9.4746 9.4746 10.0567 10.0567 10.3727 10.3727 11.1750 11.1750 Writing output data file Bi2Te2Se.save init_run : 0.90s CPU 1.16s WALL ( 1 calls) electrons : 481.64s CPU 484.28s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.18s CPU 0.26s WALL ( 1 calls) Called by electrons: c_bands : 481.64s CPU 484.27s WALL ( 1 calls) v_of_rho : 0.05s CPU 0.06s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.05s CPU 0.05s WALL ( 1 calls) newd : 0.17s CPU 0.26s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.08s WALL ( 275 calls) cegterg : 436.75s CPU 438.85s WALL ( 293 calls) Called by sum_band: Called by *egterg: h_psi : 407.30s CPU 409.04s WALL ( 5705 calls) s_psi : 5.30s CPU 5.21s WALL ( 5705 calls) g_psi : 0.21s CPU 0.27s WALL ( 5137 calls) cdiaghg : 46.80s CPU 47.55s WALL ( 5412 calls) cegterg:over : 7.45s CPU 7.33s WALL ( 5137 calls) cegterg:upda : 6.42s CPU 6.39s WALL ( 5137 calls) cegterg:last : 2.90s CPU 2.94s WALL ( 843 calls) cdiaghg:chol : 2.61s CPU 2.76s WALL ( 5412 calls) cdiaghg:inve : 1.74s CPU 1.88s WALL ( 5412 calls) cdiaghg:para : 2.95s CPU 3.02s WALL ( 10824 calls) Called by h_psi: h_psi:vloc : 394.42s CPU 396.12s WALL ( 5705 calls) h_psi:vnl : 12.66s CPU 12.63s WALL ( 5705 calls) add_vuspsi : 6.20s CPU 6.10s WALL ( 5705 calls) General routines calbec : 6.42s CPU 6.51s WALL ( 5705 calls) fft : 0.05s CPU 0.06s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 338.66s CPU 339.10s WALL ( 654092 calls) interpolate : 0.02s CPU 0.02s WALL ( 4 calls) davcio : 0.19s CPU 0.25s WALL ( 550 calls) Parallel routines fft_scatter : 59.42s CPU 59.55s WALL ( 654115 calls) PWSCF : 8m21.06s CPU 8m39.37s WALL This run was terminated on: 14:50:18 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=