Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:59:52 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: ./Rb2NiO2.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 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 98 57 17 2106 928 148 Max 99 58 18 2109 940 149 Sum 3553 2079 613 75855 33639 5341 bravais-lattice index = 14 lattice parameter (alat) = 13.6116 a.u. unit-cell volume = 769.8368 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.611552 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.832740 celldm(5)= -0.832740 celldm(6)= 0.665481 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.665481 0.746415 0.000000 ) a(3) = ( -0.832740 -0.373207 0.408974 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.891570 1.222572 ) b(2) = ( 0.000000 1.339737 1.222572 ) b(3) = ( 0.000000 0.000000 2.445145 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 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 Rb read from file: /users/gautes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 948b8f0a9070089a35782939cf30e963 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1219 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Ni 10.00 58.69340 Ni( 1.00) Rb 9.00 85.46780 Rb( 1.00) 4 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 = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 330 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 2) = ( 0.0000000 0.0000000 0.0226402), wk = 0.0030303 k( 3) = ( 0.0000000 0.0000000 0.0452805), wk = 0.0030303 k( 4) = ( 0.0000000 0.0000000 0.0679207), wk = 0.0030303 k( 5) = ( 0.0000000 0.0000000 0.0905609), wk = 0.0030303 k( 6) = ( 0.0000000 0.0000000 0.1132011), wk = 0.0030303 k( 7) = ( 0.0000000 0.0000000 0.1358414), wk = 0.0030303 k( 8) = ( 0.0000000 0.0000000 0.1584816), wk = 0.0030303 k( 9) = ( 0.0000000 0.0000000 0.1811218), wk = 0.0030303 k( 10) = ( 0.0000000 0.0000000 0.2037620), wk = 0.0030303 k( 11) = ( 0.0000000 0.0000000 0.2264023), wk = 0.0030303 k( 12) = ( 0.0000000 0.0000000 0.2490425), wk = 0.0030303 k( 13) = ( 0.0000000 0.0000000 0.2716827), wk = 0.0030303 k( 14) = ( 0.0000000 0.0000000 0.2943230), wk = 0.0030303 k( 15) = ( 0.0000000 0.0000000 0.3169632), wk = 0.0030303 k( 16) = ( 0.0000000 0.0000000 0.3396034), wk = 0.0030303 k( 17) = ( 0.0000000 0.0000000 0.3622436), wk = 0.0030303 k( 18) = ( 0.0000000 0.0000000 0.3848839), wk = 0.0030303 k( 19) = ( 0.0000000 0.0000000 0.4075241), wk = 0.0030303 k( 20) = ( 0.0000000 0.0000000 0.4301643), wk = 0.0030303 k( 21) = ( 0.0000000 0.0000000 0.4528046), wk = 0.0030303 k( 22) = ( 0.0000000 0.0000000 0.4754448), wk = 0.0030303 k( 23) = ( 0.0000000 0.0000000 0.4980850), wk = 0.0030303 k( 24) = ( 0.0000000 0.0000000 0.5207252), wk = 0.0030303 k( 25) = ( 0.0000000 0.0000000 0.5433654), wk = 0.0030303 k( 26) = ( 0.0000000 0.0000000 0.5660057), wk = 0.0030303 k( 27) = ( 0.0000000 0.0000000 0.5886459), wk = 0.0030303 k( 28) = ( 0.0000000 0.0000000 0.6112861), wk = 0.0030303 k( 29) = ( 0.0000000 0.0000000 0.6339264), wk = 0.0030303 k( 30) = ( 0.0000000 0.0000000 0.6565666), wk = 0.0030303 k( 31) = ( 0.0000000 0.0000000 0.6792068), wk = 0.0030303 k( 32) = ( 0.0000000 0.0000000 0.7018470), wk = 0.0030303 k( 33) = ( 0.0000000 0.0000000 0.7244873), wk = 0.0030303 k( 34) = ( 0.0000000 0.0000000 0.7471275), wk = 0.0030303 k( 35) = ( 0.0000000 0.0000000 0.7697677), wk = 0.0030303 k( 36) = ( 0.0000000 0.0000000 0.7924079), wk = 0.0030303 k( 37) = ( 0.0000000 0.0000000 0.8150482), wk = 0.0030303 k( 38) = ( 0.0000000 0.0000000 0.8376884), wk = 0.0030303 k( 39) = ( 0.0000000 0.0000000 0.8603286), wk = 0.0030303 k( 40) = ( 0.0000000 0.0000000 0.8829689), wk = 0.0030303 k( 41) = ( 0.0000000 0.0000000 0.9056091), wk = 0.0030303 k( 42) = ( 0.0000000 0.0000000 0.9282493), wk = 0.0030303 k( 43) = ( 0.0000000 0.0000000 0.9508895), wk = 0.0030303 k( 44) = ( 0.0000000 0.0000000 0.9735298), wk = 0.0030303 k( 45) = ( 0.0000000 0.0000000 0.9961700), wk = 0.0030303 k( 46) = ( 0.0000000 0.0000000 1.0188102), wk = 0.0030303 k( 47) = ( 0.0000000 0.0000000 1.0414505), wk = 0.0030303 k( 48) = ( 0.0000000 0.0000000 1.0640907), wk = 0.0030303 k( 49) = ( 0.0000000 0.0000000 1.0867309), wk = 0.0030303 k( 50) = ( 0.0000000 0.0000000 1.1093711), wk = 0.0030303 k( 51) = ( 0.0000000 0.0000000 1.1320113), wk = 0.0030303 k( 52) = ( 0.0000000 0.0000000 1.1546516), wk = 0.0030303 k( 53) = ( 0.0000000 0.0000000 1.1772918), wk = 0.0030303 k( 54) = ( 0.0000000 0.0000000 1.1999320), wk = 0.0030303 k( 55) = ( 0.0000000 0.0000000 1.2225723), wk = 0.0030303 k( 56) = ( 0.0000000 0.0000000 1.2225723), wk = 0.0030303 k( 57) = ( -0.0083689 0.0186737 1.2225723), wk = 0.0030303 k( 58) = ( -0.0167379 0.0373473 1.2225723), wk = 0.0030303 k( 59) = ( -0.0251068 0.0560210 1.2225723), wk = 0.0030303 k( 60) = ( -0.0334757 0.0746946 1.2225723), wk = 0.0030303 k( 61) = ( -0.0418447 0.0933683 1.2225723), wk = 0.0030303 k( 62) = ( -0.0502136 0.1120419 1.2225723), wk = 0.0030303 k( 63) = ( -0.0502136 0.1120419 1.2225723), wk = 0.0030303 k( 64) = ( -0.0568281 0.1268009 1.2063988), wk = 0.0030303 k( 65) = ( -0.0634426 0.1415599 1.1902254), wk = 0.0030303 k( 66) = ( -0.0700571 0.1563189 1.1740520), wk = 0.0030303 k( 67) = ( -0.0766716 0.1710779 1.1578786), wk = 0.0030303 k( 68) = ( -0.0832861 0.1858369 1.1417051), wk = 0.0030303 k( 69) = ( -0.0899006 0.2005959 1.1255317), wk = 0.0030303 k( 70) = ( -0.0965151 0.2153549 1.1093583), wk = 0.0030303 k( 71) = ( -0.1031296 0.2301139 1.0931849), wk = 0.0030303 k( 72) = ( -0.1097441 0.2448729 1.0770115), wk = 0.0030303 k( 73) = ( -0.1163586 0.2596319 1.0608380), wk = 0.0030303 k( 74) = ( -0.1229732 0.2743909 1.0446646), wk = 0.0030303 k( 75) = ( -0.1295877 0.2891499 1.0284912), wk = 0.0030303 k( 76) = ( -0.1362022 0.3039089 1.0123178), wk = 0.0030303 k( 77) = ( -0.1428167 0.3186679 0.9961444), wk = 0.0030303 k( 78) = ( -0.1494312 0.3334269 0.9799709), wk = 0.0030303 k( 79) = ( -0.1560457 0.3481859 0.9637975), wk = 0.0030303 k( 80) = ( -0.1626602 0.3629449 0.9476241), wk = 0.0030303 k( 81) = ( -0.1692747 0.3777039 0.9314506), wk = 0.0030303 k( 82) = ( -0.1758892 0.3924629 0.9152772), wk = 0.0030303 k( 83) = ( -0.1825037 0.4072218 0.8991038), wk = 0.0030303 k( 84) = ( -0.1891182 0.4219808 0.8829304), wk = 0.0030303 k( 85) = ( -0.1957327 0.4367398 0.8667570), wk = 0.0030303 k( 86) = ( -0.2023472 0.4514988 0.8505835), wk = 0.0030303 k( 87) = ( -0.2089617 0.4662578 0.8344101), wk = 0.0030303 k( 88) = ( -0.2155762 0.4810168 0.8182367), wk = 0.0030303 k( 89) = ( -0.2221907 0.4957758 0.8020633), wk = 0.0030303 k( 90) = ( -0.2288052 0.5105348 0.7858898), wk = 0.0030303 k( 91) = ( -0.2354198 0.5252938 0.7697164), wk = 0.0030303 k( 92) = ( -0.2420343 0.5400528 0.7535430), wk = 0.0030303 k( 93) = ( -0.2486488 0.5548118 0.7373696), wk = 0.0030303 k( 94) = ( -0.2552633 0.5695708 0.7211961), wk = 0.0030303 k( 95) = ( -0.2618778 0.5843298 0.7050227), wk = 0.0030303 k( 96) = ( -0.2684923 0.5990888 0.6888493), wk = 0.0030303 k( 97) = ( -0.2751068 0.6138478 0.6726759), wk = 0.0030303 k( 98) = ( -0.2751068 0.6138478 0.6726759), wk = 0.0030303 k( 99) = ( -0.2685566 0.5992323 0.6566598), wk = 0.0030303 k( 100) = ( -0.2620065 0.5846169 0.6406437), wk = 0.0030303 k( 101) = ( -0.2554563 0.5700015 0.6246276), wk = 0.0030303 k( 102) = ( -0.2489061 0.5553861 0.6086115), wk = 0.0030303 k( 103) = ( -0.2423560 0.5407707 0.5925954), wk = 0.0030303 k( 104) = ( -0.2358058 0.5261552 0.5765793), wk = 0.0030303 k( 105) = ( -0.2292557 0.5115398 0.5605632), wk = 0.0030303 k( 106) = ( -0.2227055 0.4969244 0.5445471), wk = 0.0030303 k( 107) = ( -0.2161553 0.4823090 0.5285310), wk = 0.0030303 k( 108) = ( -0.2096052 0.4676935 0.5125150), wk = 0.0030303 k( 109) = ( -0.2030550 0.4530781 0.4964989), wk = 0.0030303 k( 110) = ( -0.1965049 0.4384627 0.4804828), wk = 0.0030303 k( 111) = ( -0.1899547 0.4238473 0.4644667), wk = 0.0030303 k( 112) = ( -0.1834045 0.4092318 0.4484506), wk = 0.0030303 k( 113) = ( -0.1768544 0.3946164 0.4324345), wk = 0.0030303 k( 114) = ( -0.1703042 0.3800010 0.4164184), wk = 0.0030303 k( 115) = ( -0.1637540 0.3653856 0.4004023), wk = 0.0030303 k( 116) = ( -0.1572039 0.3507701 0.3843862), wk = 0.0030303 k( 117) = ( -0.1506537 0.3361547 0.3683701), wk = 0.0030303 k( 118) = ( -0.1441036 0.3215393 0.3523540), wk = 0.0030303 k( 119) = ( -0.1375534 0.3069239 0.3363379), wk = 0.0030303 k( 120) = ( -0.1310032 0.2923085 0.3203219), wk = 0.0030303 k( 121) = ( -0.1244531 0.2776930 0.3043057), wk = 0.0030303 k( 122) = ( -0.1179029 0.2630776 0.2882897), wk = 0.0030303 k( 123) = ( -0.1113528 0.2484622 0.2722736), wk = 0.0030303 k( 124) = ( -0.1048026 0.2338468 0.2562575), wk = 0.0030303 k( 125) = ( -0.0982524 0.2192314 0.2402414), wk = 0.0030303 k( 126) = ( -0.0917023 0.2046159 0.2242253), wk = 0.0030303 k( 127) = ( -0.0851521 0.1900005 0.2082092), wk = 0.0030303 k( 128) = ( -0.0786019 0.1753851 0.1921931), wk = 0.0030303 k( 129) = ( -0.0720518 0.1607697 0.1761770), wk = 0.0030303 k( 130) = ( -0.0655016 0.1461542 0.1601609), wk = 0.0030303 k( 131) = ( -0.0589515 0.1315388 0.1441448), wk = 0.0030303 k( 132) = ( -0.0524013 0.1169234 0.1281287), wk = 0.0030303 k( 133) = ( -0.0458511 0.1023080 0.1121126), wk = 0.0030303 k( 134) = ( -0.0393010 0.0876925 0.0960966), wk = 0.0030303 k( 135) = ( -0.0327508 0.0730771 0.0800805), wk = 0.0030303 k( 136) = ( -0.0262006 0.0584617 0.0640644), wk = 0.0030303 k( 137) = ( -0.0196505 0.0438463 0.0480483), wk = 0.0030303 k( 138) = ( -0.0131003 0.0292308 0.0320322), wk = 0.0030303 k( 139) = ( -0.0065502 0.0146154 0.0160161), wk = 0.0030303 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 142) = ( 0.0208333 0.0093368 0.0000000), wk = 0.0030303 k( 143) = ( 0.0416667 0.0186737 0.0000000), wk = 0.0030303 k( 144) = ( 0.0625000 0.0280105 0.0000000), wk = 0.0030303 k( 145) = ( 0.0833333 0.0373473 0.0000000), wk = 0.0030303 k( 146) = ( 0.1041667 0.0466841 0.0000000), wk = 0.0030303 k( 147) = ( 0.1250000 0.0560210 0.0000000), wk = 0.0030303 k( 148) = ( 0.1458333 0.0653578 0.0000000), wk = 0.0030303 k( 149) = ( 0.1666667 0.0746946 0.0000000), wk = 0.0030303 k( 150) = ( 0.1875000 0.0840315 0.0000000), wk = 0.0030303 k( 151) = ( 0.2083333 0.0933683 0.0000000), wk = 0.0030303 k( 152) = ( 0.2291667 0.1027051 0.0000000), wk = 0.0030303 k( 153) = ( 0.2500000 0.1120419 0.0000000), wk = 0.0030303 k( 154) = ( 0.2708333 0.1213788 0.0000000), wk = 0.0030303 k( 155) = ( 0.2916667 0.1307156 0.0000000), wk = 0.0030303 k( 156) = ( 0.3125000 0.1400524 0.0000000), wk = 0.0030303 k( 157) = ( 0.3333333 0.1493893 0.0000000), wk = 0.0030303 k( 158) = ( 0.3541667 0.1587261 0.0000000), wk = 0.0030303 k( 159) = ( 0.3750000 0.1680629 0.0000000), wk = 0.0030303 k( 160) = ( 0.3958333 0.1773997 0.0000000), wk = 0.0030303 k( 161) = ( 0.4166667 0.1867366 0.0000000), wk = 0.0030303 k( 162) = ( 0.4375000 0.1960734 0.0000000), wk = 0.0030303 k( 163) = ( 0.4583333 0.2054102 0.0000000), wk = 0.0030303 k( 164) = ( 0.4791667 0.2147471 0.0000000), wk = 0.0030303 k( 165) = ( 0.5000000 0.2240839 0.0000000), wk = 0.0030303 k( 166) = ( 0.5000000 0.2240839 0.0000000), wk = 0.0030303 k( 167) = ( 0.4933855 0.2388429 0.0161734), wk = 0.0030303 k( 168) = ( 0.4867710 0.2536019 0.0323468), wk = 0.0030303 k( 169) = ( 0.4801565 0.2683609 0.0485203), wk = 0.0030303 k( 170) = ( 0.4735420 0.2831199 0.0646937), wk = 0.0030303 k( 171) = ( 0.4669275 0.2978789 0.0808671), wk = 0.0030303 k( 172) = ( 0.4603130 0.3126379 0.0970405), wk = 0.0030303 k( 173) = ( 0.4536985 0.3273969 0.1132140), wk = 0.0030303 k( 174) = ( 0.4470840 0.3421559 0.1293874), wk = 0.0030303 k( 175) = ( 0.4404694 0.3569148 0.1455608), wk = 0.0030303 k( 176) = ( 0.4338549 0.3716738 0.1617342), wk = 0.0030303 k( 177) = ( 0.4272404 0.3864328 0.1779077), wk = 0.0030303 k( 178) = ( 0.4206259 0.4011918 0.1940811), wk = 0.0030303 k( 179) = ( 0.4140114 0.4159508 0.2102545), wk = 0.0030303 k( 180) = ( 0.4073969 0.4307098 0.2264279), wk = 0.0030303 k( 181) = ( 0.4007824 0.4454688 0.2426013), wk = 0.0030303 k( 182) = ( 0.3941679 0.4602278 0.2587748), wk = 0.0030303 k( 183) = ( 0.3875534 0.4749868 0.2749482), wk = 0.0030303 k( 184) = ( 0.3809389 0.4897458 0.2911216), wk = 0.0030303 k( 185) = ( 0.3743244 0.5045048 0.3072950), wk = 0.0030303 k( 186) = ( 0.3677099 0.5192638 0.3234685), wk = 0.0030303 k( 187) = ( 0.3610954 0.5340228 0.3396419), wk = 0.0030303 k( 188) = ( 0.3544809 0.5487818 0.3558153), wk = 0.0030303 k( 189) = ( 0.3478664 0.5635408 0.3719887), wk = 0.0030303 k( 190) = ( 0.3412519 0.5782998 0.3881621), wk = 0.0030303 k( 191) = ( 0.3346374 0.5930588 0.4043356), wk = 0.0030303 k( 192) = ( 0.3280228 0.6078178 0.4205090), wk = 0.0030303 k( 193) = ( 0.3214083 0.6225767 0.4366824), wk = 0.0030303 k( 194) = ( 0.3147938 0.6373358 0.4528559), wk = 0.0030303 k( 195) = ( 0.3081793 0.6520947 0.4690293), wk = 0.0030303 k( 196) = ( 0.3015648 0.6668537 0.4852027), wk = 0.0030303 k( 197) = ( 0.2949503 0.6816127 0.5013761), wk = 0.0030303 k( 198) = ( 0.2883358 0.6963717 0.5175495), wk = 0.0030303 k( 199) = ( 0.2817213 0.7111307 0.5337230), wk = 0.0030303 k( 200) = ( 0.2751068 0.7258897 0.5498964), wk = 0.0030303 k( 201) = ( 0.2751068 0.7258897 0.5498964), wk = 0.0030303 k( 202) = ( 0.2539447 0.7215804 0.5546187), wk = 0.0030303 k( 203) = ( 0.2327827 0.7172711 0.5593410), wk = 0.0030303 k( 204) = ( 0.2116206 0.7129618 0.5640633), wk = 0.0030303 k( 205) = ( 0.1904586 0.7086525 0.5687855), wk = 0.0030303 k( 206) = ( 0.1692965 0.7043432 0.5735078), wk = 0.0030303 k( 207) = ( 0.1481344 0.7000339 0.5782301), wk = 0.0030303 k( 208) = ( 0.1269724 0.6957246 0.5829524), wk = 0.0030303 k( 209) = ( 0.1058103 0.6914153 0.5876747), wk = 0.0030303 k( 210) = ( 0.0846482 0.6871060 0.5923970), wk = 0.0030303 k( 211) = ( 0.0634862 0.6827967 0.5971193), wk = 0.0030303 k( 212) = ( 0.0423241 0.6784874 0.6018416), wk = 0.0030303 k( 213) = ( 0.0211621 0.6741781 0.6065638), wk = 0.0030303 k( 214) = ( 0.0000000 0.6698687 0.6112861), wk = 0.0030303 k( 215) = ( 0.0000000 0.6698687 0.6112861), wk = 0.0030303 k( 216) = ( 0.0065790 0.6551891 0.6273726), wk = 0.0030303 k( 217) = ( 0.0131579 0.6405094 0.6434591), wk = 0.0030303 k( 218) = ( 0.0197368 0.6258298 0.6595456), wk = 0.0030303 k( 219) = ( 0.0263158 0.6111501 0.6756320), wk = 0.0030303 k( 220) = ( 0.0328947 0.5964705 0.6917185), wk = 0.0030303 k( 221) = ( 0.0394737 0.5817908 0.7078050), wk = 0.0030303 k( 222) = ( 0.0460526 0.5671112 0.7238915), wk = 0.0030303 k( 223) = ( 0.0526316 0.5524315 0.7399780), wk = 0.0030303 k( 224) = ( 0.0592105 0.5377519 0.7560644), wk = 0.0030303 k( 225) = ( 0.0657895 0.5230722 0.7721509), wk = 0.0030303 k( 226) = ( 0.0723684 0.5083926 0.7882374), wk = 0.0030303 k( 227) = ( 0.0789474 0.4937129 0.8043239), wk = 0.0030303 k( 228) = ( 0.0855263 0.4790333 0.8204103), wk = 0.0030303 k( 229) = ( 0.0921053 0.4643536 0.8364968), wk = 0.0030303 k( 230) = ( 0.0986842 0.4496740 0.8525833), wk = 0.0030303 k( 231) = ( 0.1052632 0.4349943 0.8686698), wk = 0.0030303 k( 232) = ( 0.1118421 0.4203146 0.8847563), wk = 0.0030303 k( 233) = ( 0.1184210 0.4056350 0.9008427), wk = 0.0030303 k( 234) = ( 0.1250000 0.3909553 0.9169292), wk = 0.0030303 k( 235) = ( 0.1315790 0.3762757 0.9330157), wk = 0.0030303 k( 236) = ( 0.1381579 0.3615961 0.9491021), wk = 0.0030303 k( 237) = ( 0.1447368 0.3469164 0.9651886), wk = 0.0030303 k( 238) = ( 0.1513158 0.3322367 0.9812751), wk = 0.0030303 k( 239) = ( 0.1578947 0.3175571 0.9973616), wk = 0.0030303 k( 240) = ( 0.1644737 0.3028774 1.0134481), wk = 0.0030303 k( 241) = ( 0.1710526 0.2881978 1.0295345), wk = 0.0030303 k( 242) = ( 0.1776316 0.2735181 1.0456210), wk = 0.0030303 k( 243) = ( 0.1842105 0.2588385 1.0617075), wk = 0.0030303 k( 244) = ( 0.1907895 0.2441588 1.0777940), wk = 0.0030303 k( 245) = ( 0.1973684 0.2294792 1.0938804), wk = 0.0030303 k( 246) = ( 0.2039474 0.2147995 1.1099669), wk = 0.0030303 k( 247) = ( 0.2105263 0.2001199 1.1260534), wk = 0.0030303 k( 248) = ( 0.2171053 0.1854402 1.1421399), wk = 0.0030303 k( 249) = ( 0.2236842 0.1707606 1.1582264), wk = 0.0030303 k( 250) = ( 0.2302632 0.1560809 1.1743128), wk = 0.0030303 k( 251) = ( 0.2368421 0.1414012 1.1903993), wk = 0.0030303 k( 252) = ( 0.2434210 0.1267216 1.2064858), wk = 0.0030303 k( 253) = ( 0.2500000 0.1120419 1.2225723), wk = 0.0030303 k( 254) = ( 0.2500000 0.1120419 1.2225723), wk = 0.0030303 k( 255) = ( 0.2678571 0.1200449 1.2138023), wk = 0.0030303 k( 256) = ( 0.2857143 0.1280479 1.2050323), wk = 0.0030303 k( 257) = ( 0.3035714 0.1360509 1.1962624), wk = 0.0030303 k( 258) = ( 0.3214286 0.1440539 1.1874924), wk = 0.0030303 k( 259) = ( 0.3392857 0.1520569 1.1787224), wk = 0.0030303 k( 260) = ( 0.3571429 0.1600599 1.1699525), wk = 0.0030303 k( 261) = ( 0.3750000 0.1680629 1.1611825), wk = 0.0030303 k( 262) = ( 0.3928571 0.1760659 1.1524126), wk = 0.0030303 k( 263) = ( 0.4107143 0.1840689 1.1436426), wk = 0.0030303 k( 264) = ( 0.4285714 0.1920719 1.1348726), wk = 0.0030303 k( 265) = ( 0.4464286 0.2000749 1.1261027), wk = 0.0030303 k( 266) = ( 0.4642857 0.2080779 1.1173327), wk = 0.0030303 k( 267) = ( 0.4821429 0.2160809 1.1085628), wk = 0.0030303 k( 268) = ( 0.5000000 0.2240839 1.0997928), wk = 0.0030303 k( 269) = ( 0.5000000 0.2240839 1.0997928), wk = 0.0030303 k( 270) = ( 0.5000000 0.2240839 1.0768804), wk = 0.0030303 k( 271) = ( 0.5000000 0.2240839 1.0539681), wk = 0.0030303 k( 272) = ( 0.5000000 0.2240839 1.0310557), wk = 0.0030303 k( 273) = ( 0.5000000 0.2240839 1.0081434), wk = 0.0030303 k( 274) = ( 0.5000000 0.2240839 0.9852310), wk = 0.0030303 k( 275) = ( 0.5000000 0.2240839 0.9623187), wk = 0.0030303 k( 276) = ( 0.5000000 0.2240839 0.9394063), wk = 0.0030303 k( 277) = ( 0.5000000 0.2240839 0.9164940), wk = 0.0030303 k( 278) = ( 0.5000000 0.2240839 0.8935816), wk = 0.0030303 k( 279) = ( 0.5000000 0.2240839 0.8706693), wk = 0.0030303 k( 280) = ( 0.5000000 0.2240839 0.8477569), wk = 0.0030303 k( 281) = ( 0.5000000 0.2240839 0.8248446), wk = 0.0030303 k( 282) = ( 0.5000000 0.2240839 0.8019322), wk = 0.0030303 k( 283) = ( 0.5000000 0.2240839 0.7790199), wk = 0.0030303 k( 284) = ( 0.5000000 0.2240839 0.7561075), wk = 0.0030303 k( 285) = ( 0.5000000 0.2240839 0.7331952), wk = 0.0030303 k( 286) = ( 0.5000000 0.2240839 0.7102828), wk = 0.0030303 k( 287) = ( 0.5000000 0.2240839 0.6873705), wk = 0.0030303 k( 288) = ( 0.5000000 0.2240839 0.6644581), wk = 0.0030303 k( 289) = ( 0.5000000 0.2240839 0.6415458), wk = 0.0030303 k( 290) = ( 0.5000000 0.2240839 0.6186334), wk = 0.0030303 k( 291) = ( 0.5000000 0.2240839 0.5957211), wk = 0.0030303 k( 292) = ( 0.5000000 0.2240839 0.5728087), wk = 0.0030303 k( 293) = ( 0.5000000 0.2240839 0.5498964), wk = 0.0030303 k( 294) = ( 0.5000000 0.2240839 0.5269840), wk = 0.0030303 k( 295) = ( 0.5000000 0.2240839 0.5040717), wk = 0.0030303 k( 296) = ( 0.5000000 0.2240839 0.4811593), wk = 0.0030303 k( 297) = ( 0.5000000 0.2240839 0.4582470), wk = 0.0030303 k( 298) = ( 0.5000000 0.2240839 0.4353346), wk = 0.0030303 k( 299) = ( 0.5000000 0.2240839 0.4124223), wk = 0.0030303 k( 300) = ( 0.5000000 0.2240839 0.3895099), wk = 0.0030303 k( 301) = ( 0.5000000 0.2240839 0.3665976), wk = 0.0030303 k( 302) = ( 0.5000000 0.2240839 0.3436852), wk = 0.0030303 k( 303) = ( 0.5000000 0.2240839 0.3207729), wk = 0.0030303 k( 304) = ( 0.5000000 0.2240839 0.2978605), wk = 0.0030303 k( 305) = ( 0.5000000 0.2240839 0.2749482), wk = 0.0030303 k( 306) = ( 0.5000000 0.2240839 0.2520358), wk = 0.0030303 k( 307) = ( 0.5000000 0.2240839 0.2291235), wk = 0.0030303 k( 308) = ( 0.5000000 0.2240839 0.2062111), wk = 0.0030303 k( 309) = ( 0.5000000 0.2240839 0.1832988), wk = 0.0030303 k( 310) = ( 0.5000000 0.2240839 0.1603864), wk = 0.0030303 k( 311) = ( 0.5000000 0.2240839 0.1374741), wk = 0.0030303 k( 312) = ( 0.5000000 0.2240839 0.1145617), wk = 0.0030303 k( 313) = ( 0.5000000 0.2240839 0.0916494), wk = 0.0030303 k( 314) = ( 0.5000000 0.2240839 0.0687370), wk = 0.0030303 k( 315) = ( 0.5000000 0.2240839 0.0458247), wk = 0.0030303 k( 316) = ( 0.5000000 0.2240839 0.0229123), wk = 0.0030303 k( 317) = ( 0.5000000 0.2240839 0.0000000), wk = 0.0030303 k( 318) = ( 0.0000000 0.0000000 1.2225723), wk = 0.0030303 k( 319) = ( 0.0208333 0.0093368 1.2225723), wk = 0.0030303 k( 320) = ( 0.0416667 0.0186737 1.2225723), wk = 0.0030303 k( 321) = ( 0.0625000 0.0280105 1.2225723), wk = 0.0030303 k( 322) = ( 0.0833333 0.0373473 1.2225723), wk = 0.0030303 k( 323) = ( 0.1041667 0.0466841 1.2225723), wk = 0.0030303 k( 324) = ( 0.1250000 0.0560210 1.2225723), wk = 0.0030303 k( 325) = ( 0.1458333 0.0653578 1.2225723), wk = 0.0030303 k( 326) = ( 0.1666667 0.0746946 1.2225723), wk = 0.0030303 k( 327) = ( 0.1875000 0.0840315 1.2225723), wk = 0.0030303 k( 328) = ( 0.2083333 0.0933683 1.2225723), wk = 0.0030303 k( 329) = ( 0.2291667 0.1027051 1.2225723), wk = 0.0030303 k( 330) = ( 0.2500000 0.1120419 1.2225723), wk = 0.0030303 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 2) = ( 0.0000000 0.0000000 0.0092593), wk = 0.0030303 k( 3) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0030303 k( 4) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0030303 k( 5) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0030303 k( 6) = ( 0.0000000 0.0000000 0.0462963), wk = 0.0030303 k( 7) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0030303 k( 8) = ( 0.0000000 0.0000000 0.0648148), wk = 0.0030303 k( 9) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0030303 k( 10) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0030303 k( 11) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0030303 k( 12) = ( 0.0000000 0.0000000 0.1018518), wk = 0.0030303 k( 13) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0030303 k( 14) = ( 0.0000000 0.0000000 0.1203704), wk = 0.0030303 k( 15) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0030303 k( 16) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0030303 k( 17) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0030303 k( 18) = ( 0.0000000 0.0000000 0.1574074), wk = 0.0030303 k( 19) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0030303 k( 20) = ( 0.0000000 0.0000000 0.1759259), wk = 0.0030303 k( 21) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0030303 k( 22) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0030303 k( 23) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0030303 k( 24) = ( 0.0000000 0.0000000 0.2129630), wk = 0.0030303 k( 25) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0030303 k( 26) = ( 0.0000000 0.0000000 0.2314815), wk = 0.0030303 k( 27) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0030303 k( 28) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0030303 k( 29) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0030303 k( 30) = ( 0.0000000 0.0000000 0.2685185), wk = 0.0030303 k( 31) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0030303 k( 32) = ( 0.0000000 0.0000000 0.2870370), wk = 0.0030303 k( 33) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0030303 k( 34) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0030303 k( 35) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0030303 k( 36) = ( 0.0000000 0.0000000 0.3240741), wk = 0.0030303 k( 37) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0030303 k( 38) = ( 0.0000000 0.0000000 0.3425926), wk = 0.0030303 k( 39) = ( 0.0000000 0.0000000 0.3518519), wk = 0.0030303 k( 40) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0030303 k( 41) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0030303 k( 42) = ( 0.0000000 0.0000000 0.3796296), wk = 0.0030303 k( 43) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0030303 k( 44) = ( 0.0000000 0.0000000 0.3981482), wk = 0.0030303 k( 45) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0030303 k( 46) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0030303 k( 47) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0030303 k( 48) = ( 0.0000000 0.0000000 0.4351852), wk = 0.0030303 k( 49) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0030303 k( 50) = ( 0.0000000 0.0000000 0.4537037), wk = 0.0030303 k( 51) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0030303 k( 52) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0030303 k( 53) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0030303 k( 54) = ( 0.0000000 0.0000000 0.4907407), wk = 0.0030303 k( 55) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030303 k( 56) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030303 k( 57) = ( -0.0083689 0.0083689 0.5000000), wk = 0.0030303 k( 58) = ( -0.0167379 0.0167379 0.5000000), wk = 0.0030303 k( 59) = ( -0.0251068 0.0251068 0.5000000), wk = 0.0030303 k( 60) = ( -0.0334757 0.0334757 0.5000000), wk = 0.0030303 k( 61) = ( -0.0418447 0.0418447 0.5000000), wk = 0.0030303 k( 62) = ( -0.0502136 0.0502136 0.5000000), wk = 0.0030303 k( 63) = ( -0.0502136 0.0502136 0.5000000), wk = 0.0030303 k( 64) = ( -0.0568281 0.0568281 0.4933855), wk = 0.0030303 k( 65) = ( -0.0634426 0.0634426 0.4867710), wk = 0.0030303 k( 66) = ( -0.0700571 0.0700571 0.4801565), wk = 0.0030303 k( 67) = ( -0.0766716 0.0766716 0.4735420), wk = 0.0030303 k( 68) = ( -0.0832861 0.0832861 0.4669275), wk = 0.0030303 k( 69) = ( -0.0899006 0.0899006 0.4603130), wk = 0.0030303 k( 70) = ( -0.0965151 0.0965151 0.4536985), wk = 0.0030303 k( 71) = ( -0.1031296 0.1031296 0.4470840), wk = 0.0030303 k( 72) = ( -0.1097441 0.1097442 0.4404695), wk = 0.0030303 k( 73) = ( -0.1163586 0.1163587 0.4338549), wk = 0.0030303 k( 74) = ( -0.1229732 0.1229732 0.4272404), wk = 0.0030303 k( 75) = ( -0.1295877 0.1295877 0.4206259), wk = 0.0030303 k( 76) = ( -0.1362022 0.1362022 0.4140114), wk = 0.0030303 k( 77) = ( -0.1428167 0.1428167 0.4073969), wk = 0.0030303 k( 78) = ( -0.1494312 0.1494312 0.4007824), wk = 0.0030303 k( 79) = ( -0.1560457 0.1560457 0.3941679), wk = 0.0030303 k( 80) = ( -0.1626602 0.1626602 0.3875534), wk = 0.0030303 k( 81) = ( -0.1692747 0.1692747 0.3809389), wk = 0.0030303 k( 82) = ( -0.1758892 0.1758892 0.3743244), wk = 0.0030303 k( 83) = ( -0.1825037 0.1825037 0.3677099), wk = 0.0030303 k( 84) = ( -0.1891182 0.1891182 0.3610954), wk = 0.0030303 k( 85) = ( -0.1957327 0.1957327 0.3544809), wk = 0.0030303 k( 86) = ( -0.2023472 0.2023472 0.3478664), wk = 0.0030303 k( 87) = ( -0.2089617 0.2089617 0.3412519), wk = 0.0030303 k( 88) = ( -0.2155762 0.2155762 0.3346374), wk = 0.0030303 k( 89) = ( -0.2221907 0.2221907 0.3280228), wk = 0.0030303 k( 90) = ( -0.2288052 0.2288052 0.3214083), wk = 0.0030303 k( 91) = ( -0.2354198 0.2354198 0.3147938), wk = 0.0030303 k( 92) = ( -0.2420343 0.2420343 0.3081793), wk = 0.0030303 k( 93) = ( -0.2486488 0.2486488 0.3015648), wk = 0.0030303 k( 94) = ( -0.2552633 0.2552633 0.2949503), wk = 0.0030303 k( 95) = ( -0.2618778 0.2618778 0.2883358), wk = 0.0030303 k( 96) = ( -0.2684923 0.2684923 0.2817213), wk = 0.0030303 k( 97) = ( -0.2751068 0.2751068 0.2751068), wk = 0.0030303 k( 98) = ( -0.2751068 0.2751068 0.2751068), wk = 0.0030303 k( 99) = ( -0.2685566 0.2685566 0.2685566), wk = 0.0030303 k( 100) = ( -0.2620065 0.2620065 0.2620065), wk = 0.0030303 k( 101) = ( -0.2554563 0.2554563 0.2554563), wk = 0.0030303 k( 102) = ( -0.2489061 0.2489061 0.2489062), wk = 0.0030303 k( 103) = ( -0.2423560 0.2423560 0.2423560), wk = 0.0030303 k( 104) = ( -0.2358058 0.2358058 0.2358058), wk = 0.0030303 k( 105) = ( -0.2292557 0.2292557 0.2292557), wk = 0.0030303 k( 106) = ( -0.2227055 0.2227055 0.2227055), wk = 0.0030303 k( 107) = ( -0.2161553 0.2161553 0.2161553), wk = 0.0030303 k( 108) = ( -0.2096052 0.2096052 0.2096052), wk = 0.0030303 k( 109) = ( -0.2030550 0.2030550 0.2030550), wk = 0.0030303 k( 110) = ( -0.1965049 0.1965049 0.1965049), wk = 0.0030303 k( 111) = ( -0.1899547 0.1899547 0.1899547), wk = 0.0030303 k( 112) = ( -0.1834045 0.1834045 0.1834045), wk = 0.0030303 k( 113) = ( -0.1768544 0.1768544 0.1768544), wk = 0.0030303 k( 114) = ( -0.1703042 0.1703042 0.1703042), wk = 0.0030303 k( 115) = ( -0.1637540 0.1637540 0.1637540), wk = 0.0030303 k( 116) = ( -0.1572039 0.1572039 0.1572039), wk = 0.0030303 k( 117) = ( -0.1506537 0.1506537 0.1506537), wk = 0.0030303 k( 118) = ( -0.1441036 0.1441036 0.1441036), wk = 0.0030303 k( 119) = ( -0.1375534 0.1375534 0.1375534), wk = 0.0030303 k( 120) = ( -0.1310032 0.1310032 0.1310032), wk = 0.0030303 k( 121) = ( -0.1244531 0.1244531 0.1244531), wk = 0.0030303 k( 122) = ( -0.1179029 0.1179029 0.1179029), wk = 0.0030303 k( 123) = ( -0.1113528 0.1113528 0.1113528), wk = 0.0030303 k( 124) = ( -0.1048026 0.1048026 0.1048026), wk = 0.0030303 k( 125) = ( -0.0982524 0.0982524 0.0982524), wk = 0.0030303 k( 126) = ( -0.0917023 0.0917023 0.0917023), wk = 0.0030303 k( 127) = ( -0.0851521 0.0851521 0.0851521), wk = 0.0030303 k( 128) = ( -0.0786019 0.0786019 0.0786019), wk = 0.0030303 k( 129) = ( -0.0720518 0.0720518 0.0720518), wk = 0.0030303 k( 130) = ( -0.0655016 0.0655016 0.0655016), wk = 0.0030303 k( 131) = ( -0.0589515 0.0589515 0.0589515), wk = 0.0030303 k( 132) = ( -0.0524013 0.0524013 0.0524013), wk = 0.0030303 k( 133) = ( -0.0458511 0.0458511 0.0458511), wk = 0.0030303 k( 134) = ( -0.0393010 0.0393010 0.0393010), wk = 0.0030303 k( 135) = ( -0.0327508 0.0327508 0.0327508), wk = 0.0030303 k( 136) = ( -0.0262006 0.0262007 0.0262006), wk = 0.0030303 k( 137) = ( -0.0196505 0.0196505 0.0196505), wk = 0.0030303 k( 138) = ( -0.0131003 0.0131003 0.0131003), wk = 0.0030303 k( 139) = ( -0.0065502 0.0065502 0.0065502), wk = 0.0030303 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 142) = ( 0.0208333 0.0208333 -0.0208333), wk = 0.0030303 k( 143) = ( 0.0416667 0.0416667 -0.0416667), wk = 0.0030303 k( 144) = ( 0.0625000 0.0625000 -0.0625000), wk = 0.0030303 k( 145) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0030303 k( 146) = ( 0.1041667 0.1041667 -0.1041667), wk = 0.0030303 k( 147) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0030303 k( 148) = ( 0.1458333 0.1458333 -0.1458333), wk = 0.0030303 k( 149) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0030303 k( 150) = ( 0.1875000 0.1875000 -0.1875000), wk = 0.0030303 k( 151) = ( 0.2083333 0.2083333 -0.2083333), wk = 0.0030303 k( 152) = ( 0.2291667 0.2291667 -0.2291667), wk = 0.0030303 k( 153) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0030303 k( 154) = ( 0.2708333 0.2708333 -0.2708333), wk = 0.0030303 k( 155) = ( 0.2916667 0.2916667 -0.2916667), wk = 0.0030303 k( 156) = ( 0.3125000 0.3125000 -0.3125000), wk = 0.0030303 k( 157) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0030303 k( 158) = ( 0.3541667 0.3541667 -0.3541667), wk = 0.0030303 k( 159) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0030303 k( 160) = ( 0.3958333 0.3958333 -0.3958333), wk = 0.0030303 k( 161) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0030303 k( 162) = ( 0.4375000 0.4375000 -0.4375000), wk = 0.0030303 k( 163) = ( 0.4583333 0.4583333 -0.4583333), wk = 0.0030303 k( 164) = ( 0.4791667 0.4791667 -0.4791667), wk = 0.0030303 k( 165) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030303 k( 166) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030303 k( 167) = ( 0.4933855 0.5066145 -0.4933855), wk = 0.0030303 k( 168) = ( 0.4867710 0.5132290 -0.4867710), wk = 0.0030303 k( 169) = ( 0.4801565 0.5198435 -0.4801565), wk = 0.0030303 k( 170) = ( 0.4735420 0.5264580 -0.4735420), wk = 0.0030303 k( 171) = ( 0.4669275 0.5330725 -0.4669275), wk = 0.0030303 k( 172) = ( 0.4603130 0.5396870 -0.4603130), wk = 0.0030303 k( 173) = ( 0.4536985 0.5463015 -0.4536985), wk = 0.0030303 k( 174) = ( 0.4470840 0.5529160 -0.4470840), wk = 0.0030303 k( 175) = ( 0.4404694 0.5595305 -0.4404695), wk = 0.0030303 k( 176) = ( 0.4338549 0.5661451 -0.4338549), wk = 0.0030303 k( 177) = ( 0.4272404 0.5727596 -0.4272404), wk = 0.0030303 k( 178) = ( 0.4206259 0.5793741 -0.4206259), wk = 0.0030303 k( 179) = ( 0.4140114 0.5859886 -0.4140114), wk = 0.0030303 k( 180) = ( 0.4073969 0.5926031 -0.4073969), wk = 0.0030303 k( 181) = ( 0.4007824 0.5992176 -0.4007824), wk = 0.0030303 k( 182) = ( 0.3941679 0.6058321 -0.3941679), wk = 0.0030303 k( 183) = ( 0.3875534 0.6124466 -0.3875534), wk = 0.0030303 k( 184) = ( 0.3809389 0.6190611 -0.3809389), wk = 0.0030303 k( 185) = ( 0.3743244 0.6256756 -0.3743244), wk = 0.0030303 k( 186) = ( 0.3677099 0.6322901 -0.3677099), wk = 0.0030303 k( 187) = ( 0.3610954 0.6389046 -0.3610954), wk = 0.0030303 k( 188) = ( 0.3544809 0.6455191 -0.3544809), wk = 0.0030303 k( 189) = ( 0.3478664 0.6521336 -0.3478664), wk = 0.0030303 k( 190) = ( 0.3412519 0.6587481 -0.3412519), wk = 0.0030303 k( 191) = ( 0.3346374 0.6653627 -0.3346374), wk = 0.0030303 k( 192) = ( 0.3280228 0.6719772 -0.3280228), wk = 0.0030303 k( 193) = ( 0.3214083 0.6785917 -0.3214083), wk = 0.0030303 k( 194) = ( 0.3147938 0.6852062 -0.3147938), wk = 0.0030303 k( 195) = ( 0.3081793 0.6918207 -0.3081793), wk = 0.0030303 k( 196) = ( 0.3015648 0.6984352 -0.3015648), wk = 0.0030303 k( 197) = ( 0.2949503 0.7050497 -0.2949503), wk = 0.0030303 k( 198) = ( 0.2883358 0.7116642 -0.2883358), wk = 0.0030303 k( 199) = ( 0.2817213 0.7182787 -0.2817213), wk = 0.0030303 k( 200) = ( 0.2751068 0.7248932 -0.2751068), wk = 0.0030303 k( 201) = ( 0.2751068 0.7248932 -0.2751068), wk = 0.0030303 k( 202) = ( 0.2539447 0.7075937 -0.2539447), wk = 0.0030303 k( 203) = ( 0.2327827 0.6902942 -0.2327827), wk = 0.0030303 k( 204) = ( 0.2116206 0.6729948 -0.2116206), wk = 0.0030303 k( 205) = ( 0.1904586 0.6556953 -0.1904585), wk = 0.0030303 k( 206) = ( 0.1692965 0.6383958 -0.1692965), wk = 0.0030303 k( 207) = ( 0.1481344 0.6210963 -0.1481344), wk = 0.0030303 k( 208) = ( 0.1269724 0.6037969 -0.1269724), wk = 0.0030303 k( 209) = ( 0.1058103 0.5864974 -0.1058103), wk = 0.0030303 k( 210) = ( 0.0846482 0.5691979 -0.0846482), wk = 0.0030303 k( 211) = ( 0.0634862 0.5518984 -0.0634862), wk = 0.0030303 k( 212) = ( 0.0423241 0.5345990 -0.0423241), wk = 0.0030303 k( 213) = ( 0.0211621 0.5172995 -0.0211621), wk = 0.0030303 k( 214) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030303 k( 215) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030303 k( 216) = ( 0.0065790 0.4934211 0.0065790), wk = 0.0030303 k( 217) = ( 0.0131579 0.4868421 0.0131579), wk = 0.0030303 k( 218) = ( 0.0197368 0.4802632 0.0197368), wk = 0.0030303 k( 219) = ( 0.0263158 0.4736842 0.0263158), wk = 0.0030303 k( 220) = ( 0.0328947 0.4671053 0.0328947), wk = 0.0030303 k( 221) = ( 0.0394737 0.4605263 0.0394737), wk = 0.0030303 k( 222) = ( 0.0460526 0.4539474 0.0460526), wk = 0.0030303 k( 223) = ( 0.0526316 0.4473684 0.0526316), wk = 0.0030303 k( 224) = ( 0.0592105 0.4407895 0.0592105), wk = 0.0030303 k( 225) = ( 0.0657895 0.4342105 0.0657895), wk = 0.0030303 k( 226) = ( 0.0723684 0.4276316 0.0723684), wk = 0.0030303 k( 227) = ( 0.0789474 0.4210526 0.0789474), wk = 0.0030303 k( 228) = ( 0.0855263 0.4144737 0.0855263), wk = 0.0030303 k( 229) = ( 0.0921053 0.4078947 0.0921053), wk = 0.0030303 k( 230) = ( 0.0986842 0.4013158 0.0986842), wk = 0.0030303 k( 231) = ( 0.1052632 0.3947368 0.1052632), wk = 0.0030303 k( 232) = ( 0.1118421 0.3881579 0.1118421), wk = 0.0030303 k( 233) = ( 0.1184210 0.3815789 0.1184210), wk = 0.0030303 k( 234) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0030303 k( 235) = ( 0.1315790 0.3684211 0.1315790), wk = 0.0030303 k( 236) = ( 0.1381579 0.3618421 0.1381579), wk = 0.0030303 k( 237) = ( 0.1447368 0.3552632 0.1447368), wk = 0.0030303 k( 238) = ( 0.1513158 0.3486842 0.1513158), wk = 0.0030303 k( 239) = ( 0.1578947 0.3421053 0.1578947), wk = 0.0030303 k( 240) = ( 0.1644737 0.3355263 0.1644737), wk = 0.0030303 k( 241) = ( 0.1710526 0.3289474 0.1710526), wk = 0.0030303 k( 242) = ( 0.1776316 0.3223684 0.1776316), wk = 0.0030303 k( 243) = ( 0.1842105 0.3157895 0.1842105), wk = 0.0030303 k( 244) = ( 0.1907895 0.3092105 0.1907895), wk = 0.0030303 k( 245) = ( 0.1973684 0.3026316 0.1973684), wk = 0.0030303 k( 246) = ( 0.2039474 0.2960526 0.2039474), wk = 0.0030303 k( 247) = ( 0.2105263 0.2894737 0.2105263), wk = 0.0030303 k( 248) = ( 0.2171053 0.2828947 0.2171053), wk = 0.0030303 k( 249) = ( 0.2236842 0.2763158 0.2236842), wk = 0.0030303 k( 250) = ( 0.2302632 0.2697368 0.2302632), wk = 0.0030303 k( 251) = ( 0.2368421 0.2631579 0.2368421), wk = 0.0030303 k( 252) = ( 0.2434210 0.2565789 0.2434211), wk = 0.0030303 k( 253) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030303 k( 254) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030303 k( 255) = ( 0.2678571 0.2678571 0.2285562), wk = 0.0030303 k( 256) = ( 0.2857143 0.2857143 0.2071123), wk = 0.0030303 k( 257) = ( 0.3035714 0.3035714 0.1856685), wk = 0.0030303 k( 258) = ( 0.3214286 0.3214286 0.1642247), wk = 0.0030303 k( 259) = ( 0.3392857 0.3392857 0.1427809), wk = 0.0030303 k( 260) = ( 0.3571429 0.3571429 0.1213370), wk = 0.0030303 k( 261) = ( 0.3750000 0.3750000 0.0998932), wk = 0.0030303 k( 262) = ( 0.3928571 0.3928571 0.0784494), wk = 0.0030303 k( 263) = ( 0.4107143 0.4107143 0.0570056), wk = 0.0030303 k( 264) = ( 0.4285714 0.4285714 0.0355617), wk = 0.0030303 k( 265) = ( 0.4464286 0.4464286 0.0141179), wk = 0.0030303 k( 266) = ( 0.4642857 0.4642857 -0.0073259), wk = 0.0030303 k( 267) = ( 0.4821429 0.4821429 -0.0287698), wk = 0.0030303 k( 268) = ( 0.5000000 0.5000000 -0.0502136), wk = 0.0030303 k( 269) = ( 0.5000000 0.5000000 -0.0502136), wk = 0.0030303 k( 270) = ( 0.5000000 0.5000000 -0.0595841), wk = 0.0030303 k( 271) = ( 0.5000000 0.5000000 -0.0689547), wk = 0.0030303 k( 272) = ( 0.5000000 0.5000000 -0.0783252), wk = 0.0030303 k( 273) = ( 0.5000000 0.5000000 -0.0876958), wk = 0.0030303 k( 274) = ( 0.5000000 0.5000000 -0.0970663), wk = 0.0030303 k( 275) = ( 0.5000000 0.5000000 -0.1064369), wk = 0.0030303 k( 276) = ( 0.5000000 0.5000000 -0.1158074), wk = 0.0030303 k( 277) = ( 0.5000000 0.5000000 -0.1251780), wk = 0.0030303 k( 278) = ( 0.5000000 0.5000000 -0.1345485), wk = 0.0030303 k( 279) = ( 0.5000000 0.5000000 -0.1439191), wk = 0.0030303 k( 280) = ( 0.5000000 0.5000000 -0.1532896), wk = 0.0030303 k( 281) = ( 0.5000000 0.5000000 -0.1626602), wk = 0.0030303 k( 282) = ( 0.5000000 0.5000000 -0.1720307), wk = 0.0030303 k( 283) = ( 0.5000000 0.5000000 -0.1814013), wk = 0.0030303 k( 284) = ( 0.5000000 0.5000000 -0.1907718), wk = 0.0030303 k( 285) = ( 0.5000000 0.5000000 -0.2001424), wk = 0.0030303 k( 286) = ( 0.5000000 0.5000000 -0.2095129), wk = 0.0030303 k( 287) = ( 0.5000000 0.5000000 -0.2188835), wk = 0.0030303 k( 288) = ( 0.5000000 0.5000000 -0.2282540), wk = 0.0030303 k( 289) = ( 0.5000000 0.5000000 -0.2376246), wk = 0.0030303 k( 290) = ( 0.5000000 0.5000000 -0.2469951), wk = 0.0030303 k( 291) = ( 0.5000000 0.5000000 -0.2563657), wk = 0.0030303 k( 292) = ( 0.5000000 0.5000000 -0.2657363), wk = 0.0030303 k( 293) = ( 0.5000000 0.5000000 -0.2751068), wk = 0.0030303 k( 294) = ( 0.5000000 0.5000000 -0.2844774), wk = 0.0030303 k( 295) = ( 0.5000000 0.5000000 -0.2938479), wk = 0.0030303 k( 296) = ( 0.5000000 0.5000000 -0.3032185), wk = 0.0030303 k( 297) = ( 0.5000000 0.5000000 -0.3125890), wk = 0.0030303 k( 298) = ( 0.5000000 0.5000000 -0.3219596), wk = 0.0030303 k( 299) = ( 0.5000000 0.5000000 -0.3313301), wk = 0.0030303 k( 300) = ( 0.5000000 0.5000000 -0.3407006), wk = 0.0030303 k( 301) = ( 0.5000000 0.5000000 -0.3500712), wk = 0.0030303 k( 302) = ( 0.5000000 0.5000000 -0.3594418), wk = 0.0030303 k( 303) = ( 0.5000000 0.5000000 -0.3688123), wk = 0.0030303 k( 304) = ( 0.5000000 0.5000000 -0.3781829), wk = 0.0030303 k( 305) = ( 0.5000000 0.5000000 -0.3875534), wk = 0.0030303 k( 306) = ( 0.5000000 0.5000000 -0.3969240), wk = 0.0030303 k( 307) = ( 0.5000000 0.5000000 -0.4062945), wk = 0.0030303 k( 308) = ( 0.5000000 0.5000000 -0.4156651), wk = 0.0030303 k( 309) = ( 0.5000000 0.5000000 -0.4250356), wk = 0.0030303 k( 310) = ( 0.5000000 0.5000000 -0.4344062), wk = 0.0030303 k( 311) = ( 0.5000000 0.5000000 -0.4437767), wk = 0.0030303 k( 312) = ( 0.5000000 0.5000000 -0.4531473), wk = 0.0030303 k( 313) = ( 0.5000000 0.5000000 -0.4625178), wk = 0.0030303 k( 314) = ( 0.5000000 0.5000000 -0.4718884), wk = 0.0030303 k( 315) = ( 0.5000000 0.5000000 -0.4812589), wk = 0.0030303 k( 316) = ( 0.5000000 0.5000000 -0.4906295), wk = 0.0030303 k( 317) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030303 k( 318) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030303 k( 319) = ( 0.0208333 0.0208333 0.4791667), wk = 0.0030303 k( 320) = ( 0.0416667 0.0416667 0.4583333), wk = 0.0030303 k( 321) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0030303 k( 322) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0030303 k( 323) = ( 0.1041667 0.1041667 0.3958333), wk = 0.0030303 k( 324) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0030303 k( 325) = ( 0.1458333 0.1458333 0.3541667), wk = 0.0030303 k( 326) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0030303 k( 327) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0030303 k( 328) = ( 0.2083333 0.2083333 0.2916667), wk = 0.0030303 k( 329) = ( 0.2291667 0.2291667 0.2708333), wk = 0.0030303 k( 330) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030303 Dense grid: 75855 G-vectors FFT dimensions: ( 80, 80, 80) Smooth grid: 33639 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 258, 48) NL pseudopotentials 0.26 Mb ( 129, 130) Each V/rho on FFT grid 0.29 Mb ( 19200) Each G-vector array 0.02 Mb ( 2108) G-vector shells 0.01 Mb ( 958) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.76 Mb ( 258, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.19 Mb ( 130, 2, 48) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Rb2NiO2.save/charge-density.dat Starting wfc are 66 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 7.5 secs Computing kpt #: 2 total cpu time spent up to now is 8.3 secs Computing kpt #: 3 total cpu time spent up to now is 9.3 secs Computing kpt #: 4 total cpu time spent up to now is 10.3 secs Computing kpt #: 5 total cpu time spent up to now is 11.1 secs Computing kpt #: 6 total cpu time spent up to now is 12.0 secs Computing kpt #: 7 total cpu time spent up to now is 12.8 secs Computing kpt #: 8 total cpu time spent up to now is 13.6 secs Computing kpt #: 9 total cpu time spent up to now is 14.3 secs Computing kpt #: 10 total cpu time spent up to now is 15.1 secs Computing kpt #: 11 total cpu time spent up to now is 15.8 secs Computing kpt #: 12 total cpu time spent up to now is 16.6 secs Computing kpt #: 13 total cpu time spent up to now is 17.4 secs Computing kpt #: 14 total cpu time spent up to now is 18.1 secs Computing kpt #: 15 total cpu time spent up to now is 18.9 secs Computing kpt #: 16 total cpu time spent up to now is 20.3 secs Computing kpt #: 17 total cpu time spent up to now is 21.1 secs Computing kpt #: 18 total cpu time spent up to now is 21.8 secs Computing kpt #: 19 total cpu time spent up to now is 22.5 secs Computing kpt #: 20 total cpu time spent up to now is 23.3 secs Computing kpt #: 21 total cpu time spent up to now is 24.0 secs Computing kpt #: 22 total cpu time spent up to now is 24.8 secs Computing kpt #: 23 total cpu time spent up to now is 25.6 secs Computing kpt #: 24 total cpu time spent up to now is 26.3 secs Computing kpt #: 25 total cpu time spent up to now is 27.1 secs Computing kpt #: 26 total cpu time spent up to now is 27.8 secs Computing kpt #: 27 total cpu time spent up to now is 28.5 secs Computing kpt #: 28 total cpu time spent up to now is 29.1 secs Computing kpt #: 29 total cpu time spent up to now is 29.9 secs Computing kpt #: 30 total cpu time spent up to now is 30.6 secs Computing kpt #: 31 total cpu time spent up to now is 31.3 secs Computing kpt #: 32 total cpu time spent up to now is 31.9 secs Computing kpt #: 33 total cpu time spent up to now is 32.5 secs Computing kpt #: 34 total cpu time spent up to now is 33.1 secs Computing kpt #: 35 total cpu time spent up to now is 33.7 secs Computing kpt #: 36 total cpu time spent up to now is 34.3 secs Computing kpt #: 37 total cpu time spent up to now is 35.0 secs Computing kpt #: 38 total cpu time spent up to now is 35.6 secs Computing kpt #: 39 total cpu time spent up to now is 36.2 secs Computing kpt #: 40 total cpu time spent up to now is 36.7 secs Computing kpt #: 41 total cpu time spent up to now is 37.4 secs Computing kpt #: 42 total cpu time spent up to now is 37.9 secs Computing kpt #: 43 total cpu time spent up to now is 38.5 secs Computing kpt #: 44 total cpu time spent up to now is 39.1 secs Computing kpt #: 45 total cpu time spent up to now is 39.7 secs Computing kpt #: 46 total cpu time spent up to now is 40.3 secs Computing kpt #: 47 total cpu time spent up to now is 40.9 secs Computing kpt #: 48 total cpu time spent up to now is 41.5 secs Computing kpt #: 49 total cpu time spent up to now is 42.1 secs Computing kpt #: 50 total cpu time spent up to now is 42.7 secs Computing kpt #: 51 total cpu time spent up to now is 43.4 secs Computing kpt #: 52 total cpu time spent up to now is 44.0 secs Computing kpt #: 53 total cpu time spent up to now is 44.7 secs Computing kpt #: 54 total cpu time spent up to now is 45.4 secs Computing kpt #: 55 total cpu time spent up to now is 46.1 secs Computing kpt #: 56 total cpu time spent up to now is 46.9 secs Computing kpt #: 57 total cpu time spent up to now is 47.6 secs Computing kpt #: 58 total cpu time spent up to now is 48.3 secs Computing kpt #: 59 total cpu time spent up to now is 49.1 secs Computing kpt #: 60 total cpu time spent up to now is 49.8 secs Computing kpt #: 61 total cpu time spent up to now is 50.5 secs Computing kpt #: 62 total cpu time spent up to now is 51.3 secs Computing kpt #: 63 total cpu time spent up to now is 52.0 secs Computing kpt #: 64 total cpu time spent up to now is 52.7 secs Computing kpt #: 65 total cpu time spent up to now is 53.4 secs Computing kpt #: 66 total cpu time spent up to now is 54.2 secs Computing kpt #: 67 total cpu time spent up to now is 54.9 secs Computing kpt #: 68 total cpu time spent up to now is 55.6 secs Computing kpt #: 69 total cpu time spent up to now is 56.4 secs Computing kpt #: 70 total cpu time spent up to now is 57.0 secs Computing kpt #: 71 total cpu time spent up to now is 57.7 secs Computing kpt #: 72 total cpu time spent up to now is 58.3 secs Computing kpt #: 73 total cpu time spent up to now is 59.0 secs Computing kpt #: 74 total cpu time spent up to now is 59.6 secs Computing kpt #: 75 total cpu time spent up to now is 60.2 secs Computing kpt #: 76 total cpu time spent up to now is 60.9 secs Computing kpt #: 77 total cpu time spent up to now is 61.5 secs Computing kpt #: 78 total cpu time spent up to now is 62.1 secs Computing kpt #: 79 total cpu time spent up to now is 62.8 secs Computing kpt #: 80 total cpu time spent up to now is 63.4 secs Computing kpt #: 81 total cpu time spent up to now is 64.1 secs Computing kpt #: 82 total cpu time spent up to now is 64.7 secs Computing kpt #: 83 total cpu time spent up to now is 65.3 secs Computing kpt #: 84 total cpu time spent up to now is 66.0 secs Computing kpt #: 85 total cpu time spent up to now is 66.6 secs Computing kpt #: 86 total cpu time spent up to now is 67.3 secs Computing kpt #: 87 total cpu time spent up to now is 67.9 secs Computing kpt #: 88 total cpu time spent up to now is 68.6 secs Computing kpt #: 89 total cpu time spent up to now is 69.2 secs Computing kpt #: 90 total cpu time spent up to now is 69.9 secs Computing kpt #: 91 total cpu time spent up to now is 70.5 secs Computing kpt #: 92 total cpu time spent up to now is 71.2 secs Computing kpt #: 93 total cpu time spent up to now is 71.9 secs Computing kpt #: 94 total cpu time spent up to now is 72.5 secs Computing kpt #: 95 total cpu time spent up to now is 73.2 secs Computing kpt #: 96 total cpu time spent up to now is 73.8 secs Computing kpt #: 97 total cpu time spent up to now is 74.5 secs Computing kpt #: 98 total cpu time spent up to now is 75.1 secs Computing kpt #: 99 total cpu time spent up to now is 75.8 secs Computing kpt #: 100 total cpu time spent up to now is 76.5 secs Computing kpt #: 101 total cpu time spent up to now is 77.1 secs Computing kpt #: 102 total cpu time spent up to now is 77.8 secs Computing kpt #: 103 total cpu time spent up to now is 78.4 secs Computing kpt #: 104 total cpu time spent up to now is 79.1 secs Computing kpt #: 105 total cpu time spent up to now is 79.7 secs Computing kpt #: 106 total cpu time spent up to now is 80.4 secs Computing kpt #: 107 total cpu time spent up to now is 81.1 secs Computing kpt #: 108 total cpu time spent up to now is 81.7 secs Computing kpt #: 109 total cpu time spent up to now is 82.4 secs Computing kpt #: 110 total cpu time spent up to now is 83.1 secs Computing kpt #: 111 total cpu time spent up to now is 83.8 secs Computing kpt #: 112 total cpu time spent up to now is 84.5 secs Computing kpt #: 113 total cpu time spent up to now is 85.1 secs Computing kpt #: 114 total cpu time spent up to now is 85.8 secs Computing kpt #: 115 total cpu time spent up to now is 86.5 secs Computing kpt #: 116 total cpu time spent up to now is 87.2 secs Computing kpt #: 117 total cpu time spent up to now is 88.0 secs Computing kpt #: 118 total cpu time spent up to now is 88.7 secs Computing kpt #: 119 total cpu time spent up to now is 89.4 secs Computing kpt #: 120 total cpu time spent up to now is 90.1 secs Computing kpt #: 121 total cpu time spent up to now is 90.7 secs Computing kpt #: 122 total cpu time spent up to now is 91.4 secs Computing kpt #: 123 total cpu time spent up to now is 92.0 secs Computing kpt #: 124 total cpu time spent up to now is 92.7 secs Computing kpt #: 125 total cpu time spent up to now is 93.4 secs Computing kpt #: 126 total cpu time spent up to now is 94.1 secs Computing kpt #: 127 total cpu time spent up to now is 94.8 secs Computing kpt #: 128 total cpu time spent up to now is 95.5 secs Computing kpt #: 129 total cpu time spent up to now is 96.3 secs Computing kpt #: 130 total cpu time spent up to now is 97.0 secs Computing kpt #: 131 total cpu time spent up to now is 97.8 secs Computing kpt #: 132 total cpu time spent up to now is 98.5 secs Computing kpt #: 133 total cpu time spent up to now is 99.3 secs Computing kpt #: 134 total cpu time spent up to now is 100.1 secs Computing kpt #: 135 total cpu time spent up to now is 100.9 secs Computing kpt #: 136 total cpu time spent up to now is 101.7 secs Computing kpt #: 137 total cpu time spent up to now is 102.5 secs Computing kpt #: 138 total cpu time spent up to now is 103.3 secs Computing kpt #: 139 total cpu time spent up to now is 104.1 secs Computing kpt #: 140 total cpu time spent up to now is 105.1 secs Computing kpt #: 141 total cpu time spent up to now is 106.1 secs Computing kpt #: 142 total cpu time spent up to now is 107.3 secs Computing kpt #: 143 total cpu time spent up to now is 108.1 secs Computing kpt #: 144 total cpu time spent up to now is 108.9 secs Computing kpt #: 145 total cpu time spent up to now is 109.6 secs Computing kpt #: 146 total cpu time spent up to now is 110.2 secs Computing kpt #: 147 total cpu time spent up to now is 110.9 secs Computing kpt #: 148 total cpu time spent up to now is 111.5 secs Computing kpt #: 149 total cpu time spent up to now is 112.1 secs Computing kpt #: 150 total cpu time spent up to now is 112.7 secs Computing kpt #: 151 total cpu time spent up to now is 113.4 secs Computing kpt #: 152 total cpu time spent up to now is 114.0 secs Computing kpt #: 153 total cpu time spent up to now is 114.6 secs Computing kpt #: 154 total cpu time spent up to now is 115.2 secs Computing kpt #: 155 total cpu time spent up to now is 115.8 secs Computing kpt #: 156 total cpu time spent up to now is 116.5 secs Computing kpt #: 157 total cpu time spent up to now is 117.1 secs Computing kpt #: 158 total cpu time spent up to now is 117.7 secs Computing kpt #: 159 total cpu time spent up to now is 118.3 secs Computing kpt #: 160 total cpu time spent up to now is 118.9 secs Computing kpt #: 161 total cpu time spent up to now is 119.5 secs Computing kpt #: 162 total cpu time spent up to now is 120.1 secs Computing kpt #: 163 total cpu time spent up to now is 120.6 secs Computing kpt #: 164 total cpu time spent up to now is 121.2 secs Computing kpt #: 165 total cpu time spent up to now is 121.8 secs Computing kpt #: 166 total cpu time spent up to now is 122.4 secs Computing kpt #: 167 total cpu time spent up to now is 123.0 secs Computing kpt #: 168 total cpu time spent up to now is 123.5 secs Computing kpt #: 169 total cpu time spent up to now is 124.1 secs Computing kpt #: 170 total cpu time spent up to now is 124.7 secs Computing kpt #: 171 total cpu time spent up to now is 125.3 secs Computing kpt #: 172 total cpu time spent up to now is 125.9 secs Computing kpt #: 173 total cpu time spent up to now is 126.5 secs Computing kpt #: 174 total cpu time spent up to now is 127.2 secs Computing kpt #: 175 total cpu time spent up to now is 127.8 secs Computing kpt #: 176 total cpu time spent up to now is 128.4 secs Computing kpt #: 177 total cpu time spent up to now is 129.0 secs Computing kpt #: 178 total cpu time spent up to now is 129.7 secs Computing kpt #: 179 total cpu time spent up to now is 130.3 secs Computing kpt #: 180 total cpu time spent up to now is 131.0 secs Computing kpt #: 181 total cpu time spent up to now is 131.6 secs Computing kpt #: 182 total cpu time spent up to now is 132.3 secs Computing kpt #: 183 total cpu time spent up to now is 132.9 secs Computing kpt #: 184 total cpu time spent up to now is 133.6 secs Computing kpt #: 185 total cpu time spent up to now is 134.2 secs Computing kpt #: 186 total cpu time spent up to now is 134.9 secs Computing kpt #: 187 total cpu time spent up to now is 135.6 secs Computing kpt #: 188 total cpu time spent up to now is 136.2 secs Computing kpt #: 189 total cpu time spent up to now is 136.9 secs Computing kpt #: 190 total cpu time spent up to now is 137.5 secs Computing kpt #: 191 total cpu time spent up to now is 138.2 secs Computing kpt #: 192 total cpu time spent up to now is 138.9 secs Computing kpt #: 193 total cpu time spent up to now is 139.5 secs Computing kpt #: 194 total cpu time spent up to now is 140.2 secs Computing kpt #: 195 total cpu time spent up to now is 140.8 secs Computing kpt #: 196 total cpu time spent up to now is 141.5 secs Computing kpt #: 197 total cpu time spent up to now is 142.1 secs Computing kpt #: 198 total cpu time spent up to now is 142.8 secs Computing kpt #: 199 total cpu time spent up to now is 143.5 secs Computing kpt #: 200 total cpu time spent up to now is 144.1 secs Computing kpt #: 201 total cpu time spent up to now is 144.8 secs Computing kpt #: 202 total cpu time spent up to now is 145.4 secs Computing kpt #: 203 total cpu time spent up to now is 146.1 secs Computing kpt #: 204 total cpu time spent up to now is 146.8 secs Computing kpt #: 205 total cpu time spent up to now is 147.4 secs Computing kpt #: 206 total cpu time spent up to now is 148.1 secs Computing kpt #: 207 total cpu time spent up to now is 148.7 secs Computing kpt #: 208 total cpu time spent up to now is 149.4 secs Computing kpt #: 209 total cpu time spent up to now is 150.1 secs Computing kpt #: 210 total cpu time spent up to now is 150.7 secs Computing kpt #: 211 total cpu time spent up to now is 151.4 secs Computing kpt #: 212 total cpu time spent up to now is 152.1 secs Computing kpt #: 213 total cpu time spent up to now is 152.7 secs Computing kpt #: 214 total cpu time spent up to now is 153.4 secs Computing kpt #: 215 total cpu time spent up to now is 154.1 secs Computing kpt #: 216 total cpu time spent up to now is 154.7 secs Computing kpt #: 217 total cpu time spent up to now is 155.4 secs Computing kpt #: 218 total cpu time spent up to now is 156.1 secs Computing kpt #: 219 total cpu time spent up to now is 156.8 secs Computing kpt #: 220 total cpu time spent up to now is 157.4 secs Computing kpt #: 221 total cpu time spent up to now is 158.1 secs Computing kpt #: 222 total cpu time spent up to now is 158.8 secs Computing kpt #: 223 total cpu time spent up to now is 159.4 secs Computing kpt #: 224 total cpu time spent up to now is 160.0 secs Computing kpt #: 225 total cpu time spent up to now is 160.7 secs Computing kpt #: 226 total cpu time spent up to now is 161.3 secs Computing kpt #: 227 total cpu time spent up to now is 162.0 secs Computing kpt #: 228 total cpu time spent up to now is 162.6 secs Computing kpt #: 229 total cpu time spent up to now is 163.3 secs Computing kpt #: 230 total cpu time spent up to now is 164.0 secs Computing kpt #: 231 total cpu time spent up to now is 164.7 secs Computing kpt #: 232 total cpu time spent up to now is 165.4 secs Computing kpt #: 233 total cpu time spent up to now is 166.1 secs Computing kpt #: 234 total cpu time spent up to now is 166.8 secs Computing kpt #: 235 total cpu time spent up to now is 167.4 secs Computing kpt #: 236 total cpu time spent up to now is 168.1 secs Computing kpt #: 237 total cpu time spent up to now is 168.8 secs Computing kpt #: 238 total cpu time spent up to now is 169.5 secs Computing kpt #: 239 total cpu time spent up to now is 170.2 secs Computing kpt #: 240 total cpu time spent up to now is 170.8 secs Computing kpt #: 241 total cpu time spent up to now is 171.5 secs Computing kpt #: 242 total cpu time spent up to now is 172.2 secs Computing kpt #: 243 total cpu time spent up to now is 172.8 secs Computing kpt #: 244 total cpu time spent up to now is 173.4 secs Computing kpt #: 245 total cpu time spent up to now is 174.1 secs Computing kpt #: 246 total cpu time spent up to now is 174.7 secs Computing kpt #: 247 total cpu time spent up to now is 175.3 secs Computing kpt #: 248 total cpu time spent up to now is 176.0 secs Computing kpt #: 249 total cpu time spent up to now is 176.6 secs Computing kpt #: 250 total cpu time spent up to now is 177.2 secs Computing kpt #: 251 total cpu time spent up to now is 177.9 secs Computing kpt #: 252 total cpu time spent up to now is 178.5 secs Computing kpt #: 253 total cpu time spent up to now is 179.1 secs Computing kpt #: 254 total cpu time spent up to now is 179.7 secs Computing kpt #: 255 total cpu time spent up to now is 180.4 secs Computing kpt #: 256 total cpu time spent up to now is 181.0 secs Computing kpt #: 257 total cpu time spent up to now is 181.6 secs Computing kpt #: 258 total cpu time spent up to now is 182.2 secs Computing kpt #: 259 total cpu time spent up to now is 182.9 secs Computing kpt #: 260 total cpu time spent up to now is 183.5 secs Computing kpt #: 261 total cpu time spent up to now is 184.1 secs Computing kpt #: 262 total cpu time spent up to now is 184.8 secs Computing kpt #: 263 total cpu time spent up to now is 185.4 secs Computing kpt #: 264 total cpu time spent up to now is 186.1 secs Computing kpt #: 265 total cpu time spent up to now is 186.7 secs Computing kpt #: 266 total cpu time spent up to now is 187.4 secs Computing kpt #: 267 total cpu time spent up to now is 188.0 secs Computing kpt #: 268 total cpu time spent up to now is 188.6 secs Computing kpt #: 269 total cpu time spent up to now is 189.4 secs Computing kpt #: 270 total cpu time spent up to now is 190.1 secs Computing kpt #: 271 total cpu time spent up to now is 190.8 secs Computing kpt #: 272 total cpu time spent up to now is 191.6 secs Computing kpt #: 273 total cpu time spent up to now is 192.2 secs Computing kpt #: 274 total cpu time spent up to now is 192.9 secs Computing kpt #: 275 total cpu time spent up to now is 193.5 secs Computing kpt #: 276 total cpu time spent up to now is 194.1 secs Computing kpt #: 277 total cpu time spent up to now is 194.8 secs Computing kpt #: 278 total cpu time spent up to now is 195.4 secs Computing kpt #: 279 total cpu time spent up to now is 196.0 secs Computing kpt #: 280 total cpu time spent up to now is 196.6 secs Computing kpt #: 281 total cpu time spent up to now is 197.3 secs Computing kpt #: 282 total cpu time spent up to now is 197.9 secs Computing kpt #: 283 total cpu time spent up to now is 198.5 secs Computing kpt #: 284 total cpu time spent up to now is 199.1 secs Computing kpt #: 285 total cpu time spent up to now is 199.7 secs Computing kpt #: 286 total cpu time spent up to now is 200.4 secs Computing kpt #: 287 total cpu time spent up to now is 201.0 secs Computing kpt #: 288 total cpu time spent up to now is 201.6 secs Computing kpt #: 289 total cpu time spent up to now is 202.2 secs Computing kpt #: 290 total cpu time spent up to now is 202.8 secs Computing kpt #: 291 total cpu time spent up to now is 203.5 secs Computing kpt #: 292 total cpu time spent up to now is 204.1 secs Computing kpt #: 293 total cpu time spent up to now is 204.7 secs Computing kpt #: 294 total cpu time spent up to now is 205.4 secs Computing kpt #: 295 total cpu time spent up to now is 206.0 secs Computing kpt #: 296 total cpu time spent up to now is 206.7 secs Computing kpt #: 297 total cpu time spent up to now is 207.3 secs Computing kpt #: 298 total cpu time spent up to now is 208.0 secs Computing kpt #: 299 total cpu time spent up to now is 208.6 secs Computing kpt #: 300 total cpu time spent up to now is 209.3 secs Computing kpt #: 301 total cpu time spent up to now is 209.9 secs Computing kpt #: 302 total cpu time spent up to now is 210.6 secs Computing kpt #: 303 total cpu time spent up to now is 211.2 secs Computing kpt #: 304 total cpu time spent up to now is 211.9 secs Computing kpt #: 305 total cpu time spent up to now is 212.5 secs Computing kpt #: 306 total cpu time spent up to now is 213.1 secs Computing kpt #: 307 total cpu time spent up to now is 213.7 secs Computing kpt #: 308 total cpu time spent up to now is 214.3 secs Computing kpt #: 309 total cpu time spent up to now is 215.0 secs Computing kpt #: 310 total cpu time spent up to now is 215.6 secs Computing kpt #: 311 total cpu time spent up to now is 216.2 secs Computing kpt #: 312 total cpu time spent up to now is 216.7 secs Computing kpt #: 313 total cpu time spent up to now is 217.3 secs Computing kpt #: 314 total cpu time spent up to now is 217.9 secs Computing kpt #: 315 total cpu time spent up to now is 218.5 secs Computing kpt #: 316 total cpu time spent up to now is 219.1 secs Computing kpt #: 317 total cpu time spent up to now is 219.7 secs Computing kpt #: 318 total cpu time spent up to now is 220.4 secs Computing kpt #: 319 total cpu time spent up to now is 221.1 secs Computing kpt #: 320 total cpu time spent up to now is 221.9 secs Computing kpt #: 321 total cpu time spent up to now is 222.5 secs Computing kpt #: 322 total cpu time spent up to now is 223.1 secs Computing kpt #: 323 total cpu time spent up to now is 223.7 secs Computing kpt #: 324 total cpu time spent up to now is 224.4 secs Computing kpt #: 325 total cpu time spent up to now is 225.0 secs Computing kpt #: 326 total cpu time spent up to now is 225.6 secs Computing kpt #: 327 total cpu time spent up to now is 226.2 secs Computing kpt #: 328 total cpu time spent up to now is 226.8 secs Computing kpt #: 329 total cpu time spent up to now is 227.5 secs Computing kpt #: 330 total cpu time spent up to now is 228.2 secs ethr = 2.50E-08, avg # of iterations = 19.8 total cpu time spent up to now is 228.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4179 PWs) bands (ev): -21.3458 -21.3458 -21.2450 -21.2450 -12.5346 -12.5346 -12.0284 -12.0284 -6.1959 -6.1959 -5.8015 -5.8015 -5.4049 -5.4049 -5.1573 -5.1573 -4.9219 -4.9219 -4.8917 -4.8917 0.1149 0.1149 1.3920 1.3920 1.4542 1.4542 2.3801 2.3801 2.7614 2.7614 2.8057 2.8057 3.6148 3.6148 3.8027 3.8027 4.0516 4.0516 5.2852 5.2852 5.3665 5.3665 7.6084 7.6084 9.4370 9.4370 10.6835 10.6835 k = 0.0000 0.0000 0.0226 ( 4187 PWs) bands (ev): -21.3458 -21.3458 -21.2450 -21.2450 -12.5347 -12.5347 -12.0284 -12.0284 -6.1958 -6.1958 -5.8017 -5.8017 -5.4047 -5.4047 -5.1572 -5.1572 -4.9220 -4.9220 -4.8918 -4.8918 0.1150 0.1150 1.3916 1.3916 1.4538 1.4538 2.3802 2.3802 2.7602 2.7602 2.8045 2.8045 3.6161 3.6161 3.8029 3.8029 4.0515 4.0515 5.2848 5.2848 5.3660 5.3660 7.6099 7.6099 9.4392 9.4392 10.6832 10.6832 k = 0.0000 0.0000 0.0453 ( 4199 PWs) bands (ev): -21.3455 -21.3455 -21.2450 -21.2450 -12.5350 -12.5350 -12.0287 -12.0287 -6.1954 -6.1954 -5.8023 -5.8023 -5.4042 -5.4042 -5.1571 -5.1571 -4.9223 -4.9223 -4.8922 -4.8922 0.1151 0.1151 1.3904 1.3904 1.4525 1.4525 2.3804 2.3804 2.7565 2.7565 2.8010 2.8010 3.6199 3.6199 3.8034 3.8034 4.0514 4.0514 5.2835 5.2835 5.3647 5.3647 7.6144 7.6144 9.4458 9.4458 10.6820 10.6821 k = 0.0000 0.0000 0.0679 ( 4207 PWs) bands (ev): -21.3452 -21.3452 -21.2450 -21.2450 -12.5354 -12.5354 -12.0290 -12.0290 -6.1948 -6.1948 -5.8032 -5.8032 -5.4034 -5.4034 -5.1569 -5.1569 -4.9229 -4.9229 -4.8928 -4.8928 0.1153 0.1153 1.3882 1.3882 1.4504 1.4504 2.3808 2.3808 2.7498 2.7498 2.7961 2.7961 3.6262 3.6262 3.8044 3.8044 4.0512 4.0512 5.2813 5.2813 5.3626 5.3626 7.6220 7.6220 9.4567 9.4567 10.6801 10.6801 k = 0.0000 0.0000 0.0906 ( 4191 PWs) bands (ev): -21.3447 -21.3447 -21.2450 -21.2450 -12.5359 -12.5359 -12.0295 -12.0295 -6.1939 -6.1939 -5.8044 -5.8044 -5.4023 -5.4023 -5.1565 -5.1565 -4.9238 -4.9238 -4.8937 -4.8937 0.1157 0.1157 1.3852 1.3852 1.4477 1.4477 2.3813 2.3813 2.7395 2.7395 2.7904 2.7904 3.6348 3.6348 3.8059 3.8059 4.0511 4.0511 5.2784 5.2784 5.3598 5.3598 7.6324 7.6324 9.4719 9.4719 10.6770 10.6770 k = 0.0000 0.0000 0.1132 ( 4187 PWs) bands (ev): -21.3440 -21.3440 -21.2450 -21.2450 -12.5367 -12.5367 -12.0301 -12.0301 -6.1928 -6.1928 -5.8061 -5.8061 -5.4009 -5.4009 -5.1561 -5.1561 -4.9249 -4.9249 -4.8948 -4.8948 0.1162 0.1162 1.3810 1.3810 1.4445 1.4445 2.3820 2.3820 2.7254 2.7254 2.7848 2.7848 3.6455 3.6455 3.8078 3.8078 4.0509 4.0509 5.2746 5.2746 5.3564 5.3564 7.6456 7.6456 9.4914 9.4914 10.6726 10.6726 k = 0.0000 0.0000 0.1358 ( 4189 PWs) bands (ev): -21.3432 -21.3432 -21.2450 -21.2450 -12.5375 -12.5375 -12.0308 -12.0308 -6.1915 -6.1915 -5.8081 -5.8081 -5.3994 -5.3994 -5.1555 -5.1555 -4.9264 -4.9264 -4.8961 -4.8961 0.1167 0.1167 1.3757 1.3757 1.4411 1.4411 2.3828 2.3828 2.7077 2.7077 2.7794 2.7794 3.6581 3.6581 3.8099 3.8099 4.0505 4.0505 5.2698 5.2698 5.3526 5.3526 7.6615 7.6615 9.5149 9.5149 10.6666 10.6666 k = 0.0000 0.0000 0.1585 ( 4187 PWs) bands (ev): -21.3422 -21.3422 -21.2450 -21.2450 -12.5385 -12.5385 -12.0316 -12.0316 -6.1900 -6.1900 -5.8104 -5.8104 -5.3978 -5.3978 -5.1547 -5.1547 -4.9281 -4.9281 -4.8977 -4.8977 0.1174 0.1174 1.3690 1.3690 1.4376 1.4376 2.3838 2.3838 2.6869 2.6869 2.7741 2.7741 3.6722 3.6722 3.8124 3.8124 4.0502 4.0502 5.2642 5.2642 5.3485 5.3485 7.6798 7.6798 9.5424 9.5424 10.6585 10.6585 k = 0.0000 0.0000 0.1811 ( 4182 PWs) bands (ev): -21.3411 -21.3411 -21.2450 -21.2450 -12.5396 -12.5396 -12.0325 -12.0325 -6.1883 -6.1883 -5.8131 -5.8131 -5.3961 -5.3961 -5.1538 -5.1538 -4.9302 -4.9302 -4.8994 -4.8994 0.1182 0.1182 1.3611 1.3611 1.4342 1.4342 2.3848 2.3848 2.6637 2.6637 2.7688 2.7688 3.6878 3.6878 3.8153 3.8153 4.0499 4.0499 5.2576 5.2576 5.3442 5.3442 7.7003 7.7003 9.5736 9.5736 10.6480 10.6480 k = 0.0000 0.0000 0.2038 ( 4184 PWs) bands (ev): -21.3399 -21.3399 -21.2450 -21.2450 -12.5408 -12.5408 -12.0335 -12.0335 -6.1864 -6.1864 -5.8162 -5.8162 -5.3945 -5.3945 -5.1526 -5.1526 -4.9327 -4.9327 -4.9014 -4.9014 0.1190 0.1190 1.3519 1.3519 1.4309 1.4309 2.3860 2.3860 2.6387 2.6387 2.7634 2.7634 3.7046 3.7046 3.8184 3.8184 4.0494 4.0494 5.2504 5.2504 5.3398 5.3398 7.7230 7.7230 9.6085 9.6085 10.6349 10.6349 k = 0.0000 0.0000 0.2264 ( 4184 PWs) bands (ev): -21.3386 -21.3386 -21.2451 -21.2451 -12.5421 -12.5421 -12.0345 -12.0345 -6.1844 -6.1844 -5.8196 -5.8196 -5.3930 -5.3930 -5.1513 -5.1513 -4.9356 -4.9356 -4.9037 -4.9037 0.1199 0.1199 1.3415 1.3415 1.4279 1.4279 2.3873 2.3873 2.6123 2.6123 2.7578 2.7578 3.7225 3.7225 3.8217 3.8217 4.0490 4.0490 5.2423 5.2423 5.3355 5.3355 7.7476 7.7476 9.6468 9.6468 10.6187 10.6187 k = 0.0000 0.0000 0.2490 ( 4192 PWs) bands (ev): -21.3371 -21.3371 -21.2451 -21.2451 -12.5435 -12.5435 -12.0356 -12.0356 -6.1822 -6.1822 -5.8234 -5.8234 -5.3917 -5.3917 -5.1498 -5.1498 -4.9389 -4.9389 -4.9062 -4.9062 0.1209 0.1209 1.3300 1.3300 1.4250 1.4250 2.3887 2.3887 2.5853 2.5853 2.7521 2.7521 3.7413 3.7413 3.8252 3.8252 4.0485 4.0485 5.2337 5.2337 5.3312 5.3312 7.7738 7.7738 9.6881 9.6881 10.5993 10.5993 k = 0.0000 0.0000 0.2717 ( 4184 PWs) bands (ev): -21.3355 -21.3355 -21.2451 -21.2451 -12.5450 -12.5450 -12.0367 -12.0367 -6.1799 -6.1799 -5.8275 -5.8275 -5.3905 -5.3905 -5.1481 -5.1481 -4.9427 -4.9427 -4.9089 -4.9089 0.1220 0.1220 1.3178 1.3178 1.4223 1.4223 2.3902 2.3902 2.5579 2.5579 2.7461 2.7461 3.7609 3.7609 3.8289 3.8289 4.0481 4.0481 5.2246 5.2246 5.3270 5.3270 7.8016 7.8016 9.7323 9.7323 10.5765 10.5765 k = 0.0000 0.0000 0.2943 ( 4184 PWs) bands (ev): -21.3339 -21.3339 -21.2452 -21.2452 -12.5464 -12.5464 -12.0378 -12.0378 -6.1776 -6.1776 -5.8321 -5.8321 -5.3897 -5.3897 -5.1463 -5.1463 -4.9469 -4.9469 -4.9119 -4.9119 0.1232 0.1232 1.3049 1.3049 1.4198 1.4198 2.3918 2.3918 2.5306 2.5306 2.7400 2.7400 3.7813 3.7813 3.8327 3.8327 4.0477 4.0477 5.2153 5.2153 5.3231 5.3231 7.8307 7.8307 9.7790 9.7790 10.5504 10.5504 k = 0.0000 0.0000 0.3170 ( 4188 PWs) bands (ev): -21.3321 -21.3321 -21.2452 -21.2452 -12.5479 -12.5479 -12.0389 -12.0389 -6.1752 -6.1752 -5.8370 -5.8370 -5.3892 -5.3892 -5.1444 -5.1444 -4.9515 -4.9515 -4.9150 -4.9150 0.1243 0.1243 1.2915 1.2915 1.4174 1.4174 2.3935 2.3935 2.5038 2.5038 2.7338 2.7338 3.8023 3.8023 3.8365 3.8365 4.0473 4.0473 5.2058 5.2058 5.3192 5.3192 7.8610 7.8610 9.8278 9.8278 10.5208 10.5208 k = 0.0000 0.0000 0.3396 ( 4188 PWs) bands (ev): -21.3302 -21.3302 -21.2453 -21.2453 -12.5494 -12.5494 -12.0399 -12.0399 -6.1727 -6.1727 -5.8422 -5.8422 -5.3890 -5.3890 -5.1424 -5.1424 -4.9568 -4.9568 -4.9184 -4.9184 0.1255 0.1255 1.2778 1.2778 1.4152 1.4152 2.3953 2.3953 2.4779 2.4779 2.7274 2.7274 3.8239 3.8239 3.8405 3.8405 4.0470 4.0470 5.1963 5.1963 5.3155 5.3155 7.8924 7.8924 9.8782 9.8782 10.4880 10.4880 k = 0.0000 0.0000 0.3622 ( 4188 PWs) bands (ev): -21.3282 -21.3282 -21.2453 -21.2453 -12.5509 -12.5509 -12.0409 -12.0409 -6.1702 -6.1702 -5.8479 -5.8479 -5.3891 -5.3891 -5.1405 -5.1405 -4.9626 -4.9626 -4.9220 -4.9220 0.1268 0.1268 1.2641 1.2641 1.4131 1.4131 2.3971 2.3971 2.4532 2.4532 2.7209 2.7209 3.8435 3.8435 3.8469 3.8469 4.0468 4.0468 5.1871 5.1871 5.3120 5.3120 7.9247 7.9247 9.9299 9.9299 10.4521 10.4521 k = 0.0000 0.0000 0.3849 ( 4184 PWs) bands (ev): -21.3261 -21.3261 -21.2454 -21.2454 -12.5524 -12.5524 -12.0418 -12.0418 -6.1678 -6.1678 -5.8539 -5.8539 -5.3896 -5.3896 -5.1387 -5.1387 -4.9690 -4.9690 -4.9257 -4.9257 0.1280 0.1280 1.2506 1.2506 1.4111 1.4111 2.3991 2.3991 2.4299 2.4299 2.7145 2.7145 3.8479 3.8479 3.8691 3.8691 4.0466 4.0466 5.1782 5.1782 5.3088 5.3088 7.9577 7.9577 9.9822 9.9822 10.4135 10.4135 k = 0.0000 0.0000 0.4075 ( 4188 PWs) bands (ev): -21.3240 -21.3240 -21.2454 -21.2454 -12.5538 -12.5538 -12.0426 -12.0426 -6.1654 -6.1654 -5.8602 -5.8602 -5.3903 -5.3903 -5.1371 -5.1371 -4.9761 -4.9761 -4.9295 -4.9295 0.1291 0.1291 1.2374 1.2374 1.4092 1.4092 2.4011 2.4011 2.4084 2.4084 2.7079 2.7079 3.8516 3.8516 3.8924 3.8924 4.0467 4.0467 5.1697 5.1697 5.3056 5.3056 7.9915 7.9915 10.0345 10.0345 10.3723 10.3723 k = 0.0000 0.0000 0.4302 ( 4184 PWs) bands (ev): -21.3217 -21.3217 -21.2455 -21.2455 -12.5551 -12.5551 -12.0434 -12.0434 -6.1631 -6.1631 -5.8670 -5.8670 -5.3913 -5.3913 -5.1358 -5.1358 -4.9839 -4.9839 -4.9334 -4.9334 0.1303 0.1303 1.2247 1.2247 1.4074 1.4074 2.3887 2.3887 2.4032 2.4032 2.7015 2.7015 3.8552 3.8552 3.9161 3.9161 4.0469 4.0469 5.1618 5.1618 5.3026 5.3026 8.0259 8.0259 10.0863 10.0863 10.3290 10.3290 k = 0.0000 0.0000 0.4528 ( 4190 PWs) bands (ev): -21.3195 -21.3195 -21.2456 -21.2456 -12.5564 -12.5564 -12.0440 -12.0440 -6.1609 -6.1609 -5.8741 -5.8741 -5.3926 -5.3926 -5.1348 -5.1348 -4.9925 -4.9925 -4.9373 -4.9373 0.1313 0.1313 1.2126 1.2126 1.4056 1.4056 2.3713 2.3713 2.4054 2.4054 2.6950 2.6950 3.8584 3.8584 3.9403 3.9403 4.0473 4.0473 5.1546 5.1546 5.2997 5.2997 8.0609 8.0609 10.1367 10.1367 10.2838 10.2838 k = 0.0000 0.0000 0.4754 ( 4206 PWs) bands (ev): -21.3171 -21.3171 -21.2457 -21.2457 -12.5576 -12.5576 -12.0444 -12.0444 -6.1589 -6.1589 -5.8817 -5.8817 -5.3940 -5.3940 -5.1342 -5.1342 -5.0018 -5.0018 -4.9411 -4.9411 0.1322 0.1322 1.2013 1.2013 1.4040 1.4040 2.3562 2.3562 2.4076 2.4076 2.6887 2.6887 3.8614 3.8614 3.9650 3.9650 4.0479 4.0479 5.1482 5.1482 5.2971 5.2971 8.0963 8.0963 10.1851 10.1851 10.2371 10.2371 k = 0.0000 0.0000 0.4981 ( 4218 PWs) bands (ev): -21.3147 -21.3147 -21.2458 -21.2458 -12.5587 -12.5587 -12.0447 -12.0447 -6.1569 -6.1569 -5.8895 -5.8895 -5.3956 -5.3956 -5.1340 -5.1340 -5.0120 -5.0120 -4.9450 -4.9450 0.1330 0.1330 1.1910 1.1910 1.4024 1.4024 2.3436 2.3436 2.4099 2.4099 2.6825 2.6825 3.8642 3.8642 3.9900 3.9900 4.0488 4.0488 5.1425 5.1425 5.2946 5.2946 8.1322 8.1322 10.1891 10.1891 10.2307 10.2307 k = 0.0000 0.0000 0.5207 ( 4202 PWs) bands (ev): -21.3123 -21.3123 -21.2459 -21.2459 -12.5596 -12.5596 -12.0449 -12.0449 -6.1552 -6.1552 -5.8978 -5.8978 -5.3973 -5.3973 -5.1344 -5.1344 -5.0229 -5.0229 -4.9489 -4.9489 0.1337 0.1337 1.1819 1.1819 1.4009 1.4009 2.3335 2.3335 2.4122 2.4122 2.6764 2.6764 3.8668 3.8668 4.0153 4.0153 4.0504 4.0504 5.1378 5.1378 5.2923 5.2923 8.1683 8.1683 10.1403 10.1403 10.2725 10.2725 k = 0.0000 0.0000 0.5434 ( 4206 PWs) bands (ev): -21.3099 -21.3099 -21.2460 -21.2460 -12.5604 -12.5604 -12.0449 -12.0449 -6.1537 -6.1537 -5.9064 -5.9064 -5.3990 -5.3990 -5.1353 -5.1353 -5.0346 -5.0346 -4.9529 -4.9529 0.1342 0.1342 1.1740 1.1740 1.3995 1.3995 2.3261 2.3261 2.4145 2.4145 2.6705 2.6705 3.8689 3.8689 4.0398 4.0398 4.0533 4.0533 5.1340 5.1340 5.2902 5.2902 8.2047 8.2047 10.0908 10.0908 10.3093 10.3093 k = 0.0000 0.0000 0.5660 ( 4206 PWs) bands (ev): -21.3074 -21.3074 -21.2462 -21.2462 -12.5611 -12.5611 -12.0447 -12.0447 -6.1524 -6.1524 -5.9153 -5.9153 -5.4008 -5.4008 -5.1366 -5.1366 -5.0470 -5.0470 -4.9569 -4.9569 0.1345 0.1345 1.1674 1.1674 1.3981 1.3981 2.3214 2.3214 2.4169 2.4169 2.6648 2.6648 3.8708 3.8708 4.0513 4.0513 4.0699 4.0699 5.1312 5.1312 5.2882 5.2882 8.2412 8.2412 10.0410 10.0410 10.3330 10.3330 k = 0.0000 0.0000 0.5886 ( 4206 PWs) bands (ev): -21.3050 -21.3050 -21.2463 -21.2463 -12.5616 -12.5616 -12.0443 -12.0443 -6.1514 -6.1514 -5.9246 -5.9246 -5.4026 -5.4026 -5.1385 -5.1385 -5.0600 -5.0600 -4.9611 -4.9611 0.1346 0.1346 1.1621 1.1621 1.3969 1.3969 2.3193 2.3193 2.4194 2.4194 2.6593 2.6593 3.8722 3.8722 4.0542 4.0542 4.0958 4.0958 5.1294 5.1294 5.2865 5.2865 8.2776 8.2776 9.9911 9.9911 10.3009 10.3009 k = 0.0000 0.0000 0.6113 ( 4206 PWs) bands (ev): -21.3025 -21.3025 -21.2464 -21.2464 -12.5620 -12.5620 -12.0438 -12.0438 -6.1506 -6.1506 -5.9342 -5.9342 -5.4043 -5.4043 -5.1408 -5.1408 -5.0737 -5.0737 -4.9654 -4.9654 0.1346 0.1346 1.1584 1.1584 1.3958 1.3958 2.3199 2.3199 2.4218 2.4218 2.6540 2.6540 3.8733 3.8733 4.0568 4.0568 4.1226 4.1226 5.1286 5.1286 5.2849 5.2849 8.3137 8.3137 9.9413 9.9413 10.2502 10.2502 k = 0.0000 0.0000 0.6339 ( 4202 PWs) bands (ev): -21.3000 -21.3000 -21.2466 -21.2466 -12.5622 -12.5622 -12.0431 -12.0431 -6.1501 -6.1501 -5.9441 -5.9441 -5.4059 -5.4059 -5.1435 -5.1435 -5.0878 -5.0878 -4.9699 -4.9699 0.1343 0.1343 1.1561 1.1561 1.3947 1.3947 2.3231 2.3231 2.4242 2.4242 2.6489 2.6489 3.8741 3.8741 4.0595 4.0595 4.1499 4.1499 5.1288 5.1288 5.2835 5.2835 8.3493 8.3493 9.8919 9.8919 10.1969 10.1969 k = 0.0000 0.0000 0.6566 ( 4196 PWs) bands (ev): -21.2976 -21.2976 -21.2467 -21.2467 -12.5623 -12.5623 -12.0422 -12.0422 -6.1498 -6.1498 -5.9542 -5.9542 -5.4075 -5.4075 -5.1466 -5.1466 -5.1024 -5.1024 -4.9748 -4.9748 0.1339 0.1339 1.1553 1.1553 1.3937 1.3937 2.3288 2.3288 2.4266 2.4266 2.6441 2.6441 3.8746 3.8746 4.0625 4.0625 4.1774 4.1774 5.1299 5.1299 5.2823 5.2823 8.3840 8.3840 9.8431 9.8431 10.1428 10.1428 k = 0.0000 0.0000 0.6792 ( 4196 PWs) bands (ev): -21.2951 -21.2951 -21.2469 -21.2469 -12.5622 -12.5622 -12.0412 -12.0412 -6.1499 -6.1499 -5.9646 -5.9646 -5.4090 -5.4090 -5.1501 -5.1501 -5.1172 -5.1172 -4.9799 -4.9799 0.1332 0.1332 1.1560 1.1560 1.3929 1.3929 2.3368 2.3368 2.4290 2.4290 2.6395 2.6395 3.8748 3.8748 4.0656 4.0656 4.2052 4.2052 5.1321 5.1321 5.2813 5.2813 8.4174 8.4174 9.7950 9.7950 10.0893 10.0893 k = 0.0000 0.0000 0.7018 ( 4196 PWs) bands (ev): -21.2927 -21.2927 -21.2471 -21.2471 -12.5619 -12.5619 -12.0400 -12.0400 -6.1502 -6.1502 -5.9753 -5.9753 -5.4103 -5.4103 -5.1540 -5.1540 -5.1320 -5.1320 -4.9853 -4.9853 0.1323 0.1323 1.1581 1.1581 1.3921 1.3921 2.3471 2.3471 2.4314 2.4314 2.6352 2.6352 3.8746 3.8746 4.0690 4.0690 4.2332 4.2332 5.1352 5.1352 5.2804 5.2804 8.4490 8.4490 9.7478 9.7478 10.0376 10.0376 k = 0.0000 0.0000 0.7245 ( 4196 PWs) bands (ev): -21.2904 -21.2904 -21.2472 -21.2472 -12.5616 -12.5616 -12.0386 -12.0386 -6.1508 -6.1508 -5.9861 -5.9861 -5.4115 -5.4115 -5.1589 -5.1589 -5.1462 -5.1462 -4.9911 -4.9911 0.1313 0.1313 1.1617 1.1617 1.3913 1.3913 2.3593 2.3593 2.4337 2.4337 2.6311 2.6311 3.8742 3.8742 4.0726 4.0726 4.2613 4.2613 5.1391 5.1391 5.2798 5.2798 8.4782 8.4782 9.7016 9.7016 9.9888 9.9888 k = 0.0000 0.0000 0.7471 ( 4192 PWs) bands (ev): -21.2880 -21.2880 -21.2474 -21.2474 -12.5610 -12.5610 -12.0371 -12.0371 -6.1516 -6.1516 -5.9971 -5.9971 -5.4126 -5.4126 -5.1676 -5.1676 -5.1567 -5.1567 -4.9972 -4.9972 0.1302 0.1302 1.1666 1.1666 1.3907 1.3907 2.3734 2.3734 2.4360 2.4360 2.6273 2.6273 3.8737 3.8737 4.0763 4.0763 4.2894 4.2894 5.1440 5.1440 5.2793 5.2793 8.5043 8.5043 9.6567 9.6567 9.9442 9.9442 k = 0.0000 0.0000 0.7698 ( 4192 PWs) bands (ev): -21.2858 -21.2858 -21.2476 -21.2476 -12.5604 -12.5604 -12.0355 -12.0355 -6.1527 -6.1527 -6.0082 -6.0082 -5.4136 -5.4136 -5.1812 -5.1812 -5.1624 -5.1624 -5.0036 -5.0036 0.1289 0.1289 1.1728 1.1728 1.3901 1.3901 2.3890 2.3890 2.4383 2.4383 2.6238 2.6238 3.8729 3.8729 4.0801 4.0801 4.3175 4.3175 5.1496 5.1496 5.2789 5.2789 8.5265 8.5265 9.6132 9.6132 9.9052 9.9052 k = 0.0000 0.0000 0.7924 ( 4196 PWs) bands (ev): -21.2836 -21.2836 -21.2478 -21.2478 -12.5596 -12.5596 -12.0338 -12.0338 -6.1540 -6.1540 -6.0194 -6.0194 -5.4145 -5.4145 -5.1959 -5.1959 -5.1668 -5.1668 -5.0104 -5.0104 0.1274 0.1274 1.1801 1.1801 1.3896 1.3896 2.4057 2.4057 2.4409 2.4409 2.6205 2.6205 3.8719 3.8719 4.0839 4.0839 4.3456 4.3456 5.1558 5.1558 5.2788 5.2788 8.5441 8.5441 9.5711 9.5711 9.8729 9.8729 k = 0.0000 0.0000 0.8150 ( 4188 PWs) bands (ev): -21.2814 -21.2814 -21.2480 -21.2480 -12.5588 -12.5588 -12.0320 -12.0320 -6.1555 -6.1555 -6.0306 -6.0306 -5.4153 -5.4153 -5.2108 -5.2108 -5.1707 -5.1707 -5.0174 -5.0174 0.1259 0.1259 1.1884 1.1884 1.3892 1.3892 2.4224 2.4224 2.4445 2.4445 2.6174 2.6174 3.8709 3.8709 4.0879 4.0879 4.3734 4.3734 5.1628 5.1628 5.2788 5.2788 8.5563 8.5563 9.5306 9.5306 9.8484 9.8484 k = 0.0000 0.0000 0.8377 ( 4184 PWs) bands (ev): -21.2794 -21.2794 -21.2481 -21.2481 -12.5578 -12.5578 -12.0301 -12.0301 -6.1572 -6.1572 -6.0417 -6.0417 -5.4160 -5.4160 -5.2255 -5.2255 -5.1743 -5.1743 -5.0246 -5.0246 0.1244 0.1244 1.1977 1.1977 1.3889 1.3889 2.4352 2.4352 2.4527 2.4527 2.6146 2.6146 3.8697 3.8697 4.0918 4.0918 4.4010 4.4010 5.1702 5.1702 5.2790 5.2790 8.5627 8.5627 9.4918 9.4918 9.8326 9.8326 k = 0.0000 0.0000 0.8603 ( 4180 PWs) bands (ev): -21.2774 -21.2774 -21.2483 -21.2483 -12.5568 -12.5568 -12.0281 -12.0281 -6.1590 -6.1590 -6.0528 -6.0528 -5.4165 -5.4165 -5.2399 -5.2399 -5.1777 -5.1777 -5.0319 -5.0319 0.1228 0.1228 1.2077 1.2077 1.3886 1.3886 2.4406 2.4406 2.4689 2.4689 2.6120 2.6120 3.8685 3.8685 4.0957 4.0957 4.4282 4.4282 5.1780 5.1780 5.2794 5.2794 8.5629 8.5629 9.4547 9.4547 9.8262 9.8262 k = 0.0000 0.0000 0.8830 ( 4178 PWs) bands (ev): -21.2755 -21.2755 -21.2485 -21.2485 -12.5557 -12.5557 -12.0262 -12.0262 -6.1610 -6.1610 -6.0637 -6.0637 -5.4170 -5.4170 -5.2538 -5.2538 -5.1809 -5.1809 -5.0393 -5.0393 0.1211 0.1211 1.2182 1.2182 1.3884 1.3884 2.4431 2.4431 2.4883 2.4883 2.6097 2.6097 3.8672 3.8672 4.0995 4.0995 4.4548 4.4548 5.1861 5.1861 5.2800 5.2800 8.5571 8.5571 9.4195 9.4195 9.8291 9.8291 k = 0.0000 0.0000 0.9056 ( 4174 PWs) bands (ev): -21.2737 -21.2737 -21.2486 -21.2486 -12.5545 -12.5545 -12.0242 -12.0242 -6.1630 -6.1630 -6.0744 -6.0744 -5.4174 -5.4174 -5.2673 -5.2673 -5.1838 -5.1838 -5.0468 -5.0468 0.1195 0.1195 1.2292 1.2292 1.3882 1.3882 2.4447 2.4447 2.5085 2.5085 2.6076 2.6076 3.8659 3.8659 4.1033 4.1033 4.4808 4.4808 5.1943 5.1943 5.2808 5.2808 8.5458 8.5458 9.3863 9.3863 9.8410 9.8410 k = 0.0000 0.0000 0.9282 ( 4178 PWs) bands (ev): -21.2720 -21.2720 -21.2488 -21.2488 -12.5534 -12.5534 -12.0222 -12.0222 -6.1650 -6.1650 -6.0848 -6.0848 -5.4177 -5.4177 -5.2802 -5.2802 -5.1865 -5.1865 -5.0542 -5.0542 0.1179 0.1179 1.2404 1.2404 1.3880 1.3880 2.4460 2.4460 2.5287 2.5287 2.6058 2.6058 3.8646 3.8646 4.1068 4.1068 4.5060 4.5060 5.2025 5.2025 5.2819 5.2819 8.5298 8.5298 9.3550 9.3550 9.8614 9.8614 k = 0.0000 0.0000 0.9509 ( 4178 PWs) bands (ev): -21.2704 -21.2704 -21.2490 -21.2490 -12.5522 -12.5522 -12.0203 -12.0203 -6.1671 -6.1671 -6.0949 -6.0949 -5.4180 -5.4180 -5.2924 -5.2924 -5.1888 -5.1888 -5.0615 -5.0615 0.1163 0.1163 1.2517 1.2517 1.3879 1.3879 2.4470 2.4470 2.5486 2.5486 2.6043 2.6043 3.8633 3.8633 4.1102 4.1102 4.5303 4.5303 5.2106 5.2106 5.2833 5.2833 8.5099 8.5099 9.3257 9.3257 9.8892 9.8892 k = 0.0000 0.0000 0.9735 ( 4174 PWs) bands (ev): -21.2689 -21.2689 -21.2491 -21.2491 -12.5510 -12.5510 -12.0184 -12.0184 -6.1692 -6.1692 -6.1045 -6.1045 -5.4181 -5.4181 -5.3041 -5.3041 -5.1908 -5.1908 -5.0687 -5.0687 0.1148 0.1148 1.2628 1.2628 1.3878 1.3878 2.4478 2.4478 2.5677 2.5677 2.6032 2.6032 3.8621 3.8621 4.1135 4.1135 4.5535 4.5535 5.2182 5.2182 5.2851 5.2851 8.4875 8.4875 9.2986 9.2986 9.9233 9.9233 k = 0.0000 0.0000 0.9962 ( 4170 PWs) bands (ev): -21.2676 -21.2676 -21.2493 -21.2493 -12.5499 -12.5499 -12.0166 -12.0166 -6.1712 -6.1712 -6.1135 -6.1135 -5.4180 -5.4180 -5.3150 -5.3150 -5.1925 -5.1925 -5.0755 -5.0755 0.1134 0.1134 1.2738 1.2738 1.3878 1.3878 2.4485 2.4485 2.5848 2.5848 2.6035 2.6035 3.8609 3.8609 4.1166 4.1166 4.5754 4.5754 5.2254 5.2254 5.2872 5.2872 8.4634 8.4634 9.2737 9.2737 9.9624 9.9624 k = 0.0000 0.0000 1.0188 ( 4162 PWs) bands (ev): -21.2663 -21.2663 -21.2494 -21.2494 -12.5488 -12.5488 -12.0149 -12.0149 -6.1730 -6.1730 -6.1221 -6.1221 -5.4178 -5.4178 -5.3253 -5.3253 -5.1938 -5.1938 -5.0820 -5.0820 0.1121 0.1121 1.2843 1.2843 1.3878 1.3878 2.4490 2.4490 2.5949 2.5949 2.6099 2.6099 3.8598 3.8598 4.1194 4.1194 4.5959 4.5959 5.2318 5.2318 5.2897 5.2897 8.4387 8.4387 9.2510 9.2510 10.0051 10.0051 k = 0.0000 0.0000 1.0415 ( 4158 PWs) bands (ev): -21.2652 -21.2652 -21.2495 -21.2495 -12.5478 -12.5478 -12.0134 -12.0134 -6.1748 -6.1748 -6.1299 -6.1299 -5.4175 -5.4175 -5.3347 -5.3347 -5.1949 -5.1949 -5.0882 -5.0882 0.1109 0.1109 1.2941 1.2941 1.3878 1.3878 2.4493 2.4493 2.5963 2.5963 2.6239 2.6239 3.8587 3.8587 4.1221 4.1221 4.6148 4.6148 5.2374 5.2374 5.2925 5.2925 8.4144 8.4144 9.2305 9.2305 10.0501 10.0501 k = 0.0000 0.0000 1.0641 ( 4156 PWs) bands (ev): -21.2642 -21.2642 -21.2496 -21.2496 -12.5469 -12.5469 -12.0119 -12.0119 -6.1764 -6.1764 -6.1371 -6.1371 -5.4170 -5.4170 -5.3435 -5.3435 -5.1957 -5.1957 -5.0938 -5.0938 0.1098 0.1098 1.3031 1.3031 1.3879 1.3879 2.4496 2.4496 2.5961 2.5961 2.6382 2.6382 3.8578 3.8578 4.1244 4.1244 4.6319 4.6319 5.2421 5.2421 5.2957 5.2957 8.3912 8.3912 9.2124 9.2124 10.0960 10.0960 k = 0.0000 0.0000 1.0867 ( 4164 PWs) bands (ev): -21.2633 -21.2633 -21.2497 -21.2497 -12.5460 -12.5460 -12.0106 -12.0106 -6.1778 -6.1778 -6.1434 -6.1434 -5.4163 -5.4163 -5.3514 -5.3514 -5.1963 -5.1963 -5.0989 -5.0989 0.1088 0.1088 1.3113 1.3113 1.3880 1.3880 2.4498 2.4498 2.5956 2.5956 2.6513 2.6513 3.8569 3.8569 4.1264 4.1264 4.6472 4.6472 5.2459 5.2459 5.2989 5.2989 8.3698 8.3698 9.1966 9.1966 10.1411 10.1411 k = 0.0000 0.0000 1.1094 ( 4162 PWs) bands (ev): -21.2626 -21.2626 -21.2498 -21.2498 -12.5453 -12.5453 -12.0095 -12.0095 -6.1790 -6.1790 -6.1489 -6.1489 -5.4154 -5.4154 -5.3584 -5.3584 -5.1967 -5.1967 -5.1033 -5.1033 0.1079 0.1079 1.3184 1.3184 1.3880 1.3880 2.4499 2.4499 2.5951 2.5951 2.6628 2.6628 3.8562 3.8562 4.1281 4.1281 4.6603 4.6603 5.2489 5.2489 5.3021 5.3021 8.3508 8.3508 9.1832 9.1832 10.1839 10.1839 k = 0.0000 0.0000 1.1320 ( 4164 PWs) bands (ev): -21.2620 -21.2620 -21.2499 -21.2499 -12.5447 -12.5447 -12.0086 -12.0086 -6.1800 -6.1800 -6.1536 -6.1536 -5.4144 -5.4144 -5.3645 -5.3645 -5.1969 -5.1969 -5.1071 -5.1071 0.1072 0.1072 1.3243 1.3243 1.3881 1.3881 2.4500 2.4500 2.5946 2.5946 2.6724 2.6724 3.8556 3.8556 4.1296 4.1296 4.6713 4.6713 5.2511 5.2511 5.3051 5.3051 8.3347 8.3347 9.1722 9.1722 10.2221 10.2221 k = 0.0000 0.0000 1.1547 ( 4168 PWs) bands (ev): -21.2615 -21.2615 -21.2499 -21.2499 -12.5442 -12.5442 -12.0079 -12.0079 -6.1807 -6.1807 -6.1573 -6.1573 -5.4133 -5.4133 -5.3696 -5.3696 -5.1970 -5.1970 -5.1101 -5.1101 0.1067 0.1067 1.3290 1.3290 1.3882 1.3882 2.4500 2.4500 2.5943 2.5943 2.6800 2.6800 3.8551 3.8551 4.1307 4.1307 4.6799 4.6799 5.2528 5.2528 5.3076 5.3076 8.3217 8.3217 9.1636 9.1636 10.2527 10.2527 k = 0.0000 0.0000 1.1773 ( 4176 PWs) bands (ev): -21.2611 -21.2611 -21.2500 -21.2500 -12.5438 -12.5438 -12.0073 -12.0073 -6.1812 -6.1812 -6.1600 -6.1600 -5.4123 -5.4123 -5.3734 -5.3734 -5.1971 -5.1971 -5.1123 -5.1123 0.1063 0.1063 1.3325 1.3325 1.3882 1.3882 2.4500 2.4500 2.5940 2.5940 2.6855 2.6855 3.8548 3.8548 4.1315 4.1315 4.6861 4.6861 5.2539 5.2539 5.3095 5.3095 8.3123 8.3123 9.1575 9.1575 10.2688 10.2688 k = 0.0000 0.0000 1.1999 ( 4180 PWs) bands (ev): -21.2609 -21.2609 -21.2500 -21.2500 -12.5436 -12.5436 -12.0070 -12.0070 -6.1815 -6.1815 -6.1616 -6.1616 -5.4116 -5.4116 -5.3759 -5.3759 -5.1971 -5.1971 -5.1136 -5.1136 0.1060 0.1060 1.3345 1.3345 1.3882 1.3882 2.4500 2.4500 2.5939 2.5939 2.6888 2.6888 3.8545 3.8545 4.1320 4.1320 4.6899 4.6899 5.2546 5.2546 5.3107 5.3107 8.3066 8.3066 9.1538 9.1538 10.2714 10.2714 k = 0.0000 0.0000 1.2226 ( 4180 PWs) bands (ev): -21.2609 -21.2609 -21.2500 -21.2500 -12.5435 -12.5435 -12.0069 -12.0069 -6.1816 -6.1816 -6.1621 -6.1621 -5.4113 -5.4113 -5.3768 -5.3768 -5.1971 -5.1971 -5.1140 -5.1140 0.1060 0.1060 1.3352 1.3352 1.3882 1.3882 2.4500 2.4500 2.5938 2.5938 2.6899 2.6899 3.8544 3.8544 4.1322 4.1322 4.6912 4.6912 5.2548 5.2548 5.3111 5.3111 8.3046 8.3046 9.1526 9.1526 10.2716 10.2716 k = 0.0000 0.0000 1.2226 ( 4180 PWs) bands (ev): -21.2609 -21.2609 -21.2500 -21.2500 -12.5435 -12.5435 -12.0069 -12.0069 -6.1816 -6.1816 -6.1621 -6.1621 -5.4113 -5.4113 -5.3768 -5.3768 -5.1971 -5.1971 -5.1140 -5.1140 0.1060 0.1060 1.3352 1.3352 1.3882 1.3882 2.4500 2.4500 2.5938 2.5938 2.6899 2.6899 3.8544 3.8544 4.1322 4.1322 4.6912 4.6912 5.2548 5.2548 5.3111 5.3111 8.3046 8.3046 9.1526 9.1526 10.2716 10.2716 k =-0.0084 0.0187 1.2226 ( 4180 PWs) bands (ev): -21.2609 -21.2609 -21.2500 -21.2500 -12.5436 -12.5436 -12.0070 -12.0070 -6.1812 -6.1812 -6.1620 -6.1620 -5.4114 -5.4114 -5.3760 -5.3760 -5.1970 -5.1970 -5.1139 -5.1139 0.1060 0.1060 1.3352 1.3352 1.3877 1.3877 2.4500 2.4500 2.5929 2.5929 2.6899 2.6899 3.8545 3.8545 4.1320 4.1320 4.6901 4.6901 5.2544 5.2544 5.3109 5.3109 8.3058 8.3058 9.1521 9.1521 10.2723 10.2723 k =-0.0167 0.0373 1.2226 ( 4176 PWs) bands (ev): -21.2608 -21.2608 -21.2502 -21.2502 -12.5438 -12.5438 -12.0072 -12.0072 -6.1801 -6.1801 -6.1616 -6.1616 -5.4118 -5.4118 -5.3737 -5.3737 -5.1968 -5.1968 -5.1135 -5.1135 0.1059 0.1059 1.3352 1.3352 1.3863 1.3863 2.4501 2.4501 2.5901 2.5901 2.6900 2.6900 3.8548 3.8548 4.1316 4.1316 4.6867 4.6867 5.2533 5.2533 5.3105 5.3105 8.3092 8.3092 9.1506 9.1506 10.2744 10.2744 k =-0.0251 0.0560 1.2226 ( 4176 PWs) bands (ev): -21.2608 -21.2608 -21.2505 -21.2505 -12.5442 -12.5442 -12.0075 -12.0075 -6.1782 -6.1782 -6.1608 -6.1608 -5.4122 -5.4122 -5.3701 -5.3701 -5.1964 -5.1964 -5.1128 -5.1128 0.1059 0.1059 1.3351 1.3351 1.3838 1.3838 2.4501 2.4501 2.5854 2.5854 2.6901 2.6901 3.8551 3.8551 4.1310 4.1310 4.6811 4.6811 5.2514 5.2514 5.3099 5.3099 8.3150 8.3150 9.1483 9.1483 10.2776 10.2776 k =-0.0335 0.0747 1.2226 ( 4172 PWs) bands (ev): -21.2608 -21.2608 -21.2509 -21.2509 -12.5448 -12.5448 -12.0080 -12.0080 -6.1755 -6.1755 -6.1598 -6.1598 -5.4126 -5.4126 -5.3654 -5.3654 -5.1959 -5.1959 -5.1119 -5.1119 0.1058 0.1058 1.3350 1.3350 1.3805 1.3805 2.4502 2.4502 2.5790 2.5790 2.6903 2.6903 3.8557 3.8557 4.1300 4.1300 4.6733 4.6733 5.2488 5.2488 5.3091 5.3091 8.3230 8.3230 9.1452 9.1452 10.2815 10.2815 k =-0.0418 0.0934 1.2226 ( 4172 PWs) bands (ev): -21.2607 -21.2607 -21.2514 -21.2514 -12.5455 -12.5455 -12.0085 -12.0085 -6.1721 -6.1721 -6.1585 -6.1585 -5.4127 -5.4127 -5.3597 -5.3597 -5.1953 -5.1953 -5.1106 -5.1106 0.1058 0.1058 1.3348 1.3348 1.3762 1.3762 2.4502 2.4502 2.5709 2.5709 2.6905 2.6905 3.8564 3.8564 4.1288 4.1288 4.6633 4.6633 5.2454 5.2454 5.3081 5.3081 8.3333 8.3333 9.1416 9.1416 10.2863 10.2863 k =-0.0502 0.1120 1.2226 ( 4172 PWs) bands (ev): -21.2606 -21.2606 -21.2520 -21.2520 -12.5463 -12.5463 -12.0092 -12.0092 -6.1681 -6.1681 -6.1570 -6.1570 -5.4124 -5.4124 -5.3531 -5.3531 -5.1945 -5.1945 -5.1091 -5.1091 0.1057 0.1057 1.3345 1.3345 1.3712 1.3712 2.4503 2.4503 2.5611 2.5611 2.6908 2.6908 3.8572 3.8572 4.1273 4.1273 4.6513 4.6513 5.2412 5.2412 5.3071 5.3071 8.3459 8.3459 9.1375 9.1375 10.2917 10.2917 k =-0.0502 0.1120 1.2226 ( 4172 PWs) bands (ev): -21.2606 -21.2606 -21.2520 -21.2520 -12.5463 -12.5463 -12.0092 -12.0092 -6.1681 -6.1681 -6.1570 -6.1570 -5.4124 -5.4124 -5.3531 -5.3531 -5.1945 -5.1945 -5.1091 -5.1091 0.1057 0.1057 1.3345 1.3345 1.3712 1.3712 2.4503 2.4503 2.5611 2.5611 2.6908 2.6908 3.8572 3.8572 4.1273 4.1273 4.6513 4.6513 5.2412 5.2412 5.3071 5.3071 8.3459 8.3459 9.1375 9.1375 10.2917 10.2917 k =-0.0568 0.1268 1.2064 ( 4172 PWs) bands (ev): -21.2606 -21.2606 -21.2525 -21.2525 -12.5471 -12.5471 -12.0099 -12.0099 -6.1644 -6.1644 -6.1553 -6.1553 -5.4119 -5.4119 -5.3471 -5.3471 -5.1939 -5.1939 -5.1074 -5.1074 0.1057 0.1057 1.3337 1.3337 1.3667 1.3667 2.4503 2.4503 2.5524 2.5524 2.6906 2.6906 3.8579 3.8579 4.1259 4.1259 4.6398 4.6398 5.2373 5.2373 5.3060 5.3060 8.3582 8.3582 9.1349 9.1349 10.2967 10.2967 k =-0.0634 0.1416 1.1902 ( 4168 PWs) bands (ev): -21.2607 -21.2607 -21.2531 -21.2531 -12.5481 -12.5481 -12.0108 -12.0108 -6.1604 -6.1604 -6.1528 -6.1528 -5.4111 -5.4111 -5.3401 -5.3401 -5.1933 -5.1933 -5.1050 -5.1050 0.1057 0.1057 1.3321 1.3321 1.3619 1.3619 2.4503 2.4503 2.5427 2.5427 2.6894 2.6894 3.8588 3.8588 4.1241 4.1241 4.6261 4.6261 5.2328 5.2328 5.3044 5.3044 8.3732 8.3732 9.1336 9.1336 10.3025 10.3025 k =-0.0701 0.1563 1.1741 ( 4165 PWs) bands (ev): -21.2608 -21.2608 -21.2538 -21.2538 -12.5492 -12.5492 -12.0118 -12.0118 -6.1561 -6.1561 -6.1495 -6.1495 -5.4098 -5.4098 -5.3323 -5.3323 -5.1926 -5.1926 -5.1021 -5.1021 0.1059 0.1059 1.3294 1.3294 1.3569 1.3569 2.4503 2.4503 2.5321 2.5321 2.6873 2.6873 3.8598 3.8598 4.1218 4.1218 4.6104 4.6104 5.2277 5.2277 5.3024 5.3024 8.3904 8.3904 9.1339 9.1339 10.3091 10.3091 k =-0.0767 0.1711 1.1579 ( 4165 PWs) bands (ev): -21.2609 -21.2609 -21.2545 -21.2545 -12.5504 -12.5504 -12.0130 -12.0130 -6.1516 -6.1516 -6.1453 -6.1453 -5.4081 -5.4081 -5.3238 -5.3238 -5.1918 -5.1918 -5.0985 -5.0985 0.1061 0.1061 1.3257 1.3257 1.3517 1.3517 2.4503 2.4503 2.5207 2.5207 2.6843 2.6843 3.8609 3.8609 4.1191 4.1191 4.5929 4.5929 5.2221 5.2221 5.2998 5.2998 8.4093 8.4093 9.1362 9.1362 10.3162 10.3162 k =-0.0833 0.1858 1.1417 ( 4165 PWs) bands (ev): -21.2611 -21.2611 -21.2553 -21.2553 -12.5518 -12.5518 -12.0143 -12.0143 -6.1471 -6.1471 -6.1403 -6.1403 -5.4058 -5.4058 -5.3146 -5.3146 -5.1910 -5.1910 -5.0944 -5.0944 0.1063 0.1063 1.3207 1.3207 1.3467 1.3467 2.4501 2.4501 2.5085 2.5085 2.6806 2.6806 3.8620 3.8620 4.1159 4.1159 4.5740 4.5740 5.2159 5.2159 5.2969 5.2969 8.4293 8.4293 9.1407 9.1407 10.3238 10.3238 k =-0.0899 0.2006 1.1255 ( 4165 PWs) bands (ev): -21.2614 -21.2614 -21.2561 -21.2561 -12.5533 -12.5533 -12.0157 -12.0157 -6.1423 -6.1423 -6.1346 -6.1346 -5.4031 -5.4031 -5.3047 -5.3047 -5.1901 -5.1901 -5.0898 -5.0898 0.1067 0.1067 1.3145 1.3145 1.3417 1.3417 2.4497 2.4497 2.4957 2.4957 2.6761 2.6761 3.8631 3.8631 4.1121 4.1121 4.5538 4.5538 5.2094 5.2094 5.2936 5.2936 8.4497 8.4497 9.1478 9.1478 10.3317 10.3317 k =-0.0965 0.2154 1.1094 ( 4167 PWs) bands (ev): -21.2617 -21.2617 -21.2569 -21.2569 -12.5549 -12.5549 -12.0173 -12.0173 -6.1373 -6.1373 -6.1285 -6.1285 -5.3997 -5.3997 -5.2943 -5.2943 -5.1890 -5.1890 -5.0847 -5.0847 0.1071 0.1071 1.3073 1.3073 1.3368 1.3368 2.4489 2.4489 2.4824 2.4824 2.6710 2.6710 3.8642 3.8642 4.1077 4.1077 4.5327 4.5327 5.2023 5.2023 5.2898 5.2898 8.4697 8.4697 9.1582 9.1582 10.3396 10.3396 k =-0.1031 0.2301 1.0932 ( 4170 PWs) bands (ev): -21.2620 -21.2620 -21.2578 -21.2578 -12.5566 -12.5566 -12.0190 -12.0190 -6.1321 -6.1321 -6.1219 -6.1219 -5.3958 -5.3958 -5.2835 -5.2835 -5.1878 -5.1878 -5.0791 -5.0791 0.1076 0.1076 1.2990 1.2990 1.3319 1.3319 2.4469 2.4469 2.4697 2.4697 2.6653 2.6653 3.8652 3.8652 4.1027 4.1027 4.5111 4.5111 5.1949 5.1949 5.2857 5.2857 8.4886 8.4886 9.1721 9.1721 10.3473 10.3473 k =-0.1097 0.2449 1.0770 ( 4170 PWs) bands (ev): -21.2624 -21.2624 -21.2586 -21.2586 -12.5584 -12.5584 -12.0208 -12.0208 -6.1266 -6.1266 -6.1152 -6.1152 -5.3914 -5.3914 -5.2722 -5.2722 -5.1864 -5.1864 -5.0733 -5.0733 0.1082 0.1082 1.2898 1.2898 1.3270 1.3270 2.4410 2.4410 2.4602 2.4602 2.6592 2.6592 3.8661 3.8661 4.0969 4.0969 4.4893 4.4893 5.1872 5.1872 5.2813 5.2813 8.5055 8.5055 9.1902 9.1902 10.3547 10.3547 k =-0.1164 0.2596 1.0608 ( 4176 PWs) bands (ev): -21.2629 -21.2629 -21.2596 -21.2596 -12.5603 -12.5603 -12.0226 -12.0226 -6.1209 -6.1209 -6.1082 -6.1082 -5.3864 -5.3864 -5.2607 -5.2607 -5.1848 -5.1848 -5.0670 -5.0670 0.1089 0.1089 1.2800 1.2800 1.3220 1.3220 2.4290 2.4290 2.4560 2.4560 2.6526 2.6526 3.8668 3.8668 4.0903 4.0903 4.4676 4.4676 5.1792 5.1792 5.2766 5.2766 8.5199 8.5199 9.2127 9.2127 10.3615 10.3615 k =-0.1230 0.2744 1.0447 ( 4172 PWs) bands (ev): -21.2633 -21.2633 -21.2605 -21.2605 -12.5622 -12.5622 -12.0246 -12.0246 -6.1150 -6.1150 -6.1010 -6.1010 -5.3810 -5.3810 -5.2489 -5.2489 -5.1830 -5.1830 -5.0606 -5.0606 0.1096 0.1096 1.2695 1.2695 1.3169 1.3169 2.4138 2.4138 2.4545 2.4545 2.6456 2.6456 3.8674 3.8674 4.0829 4.0829 4.4463 4.4463 5.1710 5.1710 5.2716 5.2716 8.5314 8.5314 9.2399 9.2399 10.3674 10.3674 k =-0.1296 0.2891 1.0285 ( 4168 PWs) bands (ev): -21.2638 -21.2638 -21.2614 -21.2614 -12.5642 -12.5642 -12.0266 -12.0266 -6.1089 -6.1089 -6.0938 -6.0938 -5.3750 -5.3750 -5.2372 -5.2372 -5.1807 -5.1807 -5.0539 -5.0539 0.1104 0.1104 1.2585 1.2585 1.3117 1.3117 2.3973 2.3973 2.4538 2.4538 2.6384 2.6384 3.8675 3.8675 4.0746 4.0746 4.4258 4.4258 5.1625 5.1625 5.2665 5.2665 8.5395 8.5395 9.2718 9.2718 10.3724 10.3724 k =-0.1362 0.3039 1.0123 ( 4172 PWs) bands (ev): -21.2643 -21.2643 -21.2624 -21.2624 -12.5662 -12.5662 -12.0286 -12.0286 -6.1028 -6.1028 -6.0866 -6.0866 -5.3685 -5.3685 -5.2257 -5.2257 -5.1779 -5.1779 -5.0470 -5.0470 0.1113 0.1113 1.2470 1.2470 1.3063 1.3063 2.3801 2.3801 2.4534 2.4534 2.6310 2.6310 3.8672 3.8672 4.0655 4.0655 4.4064 4.4064 5.1539 5.1539 5.2613 5.2613 8.5444 8.5444 9.3083 9.3083 10.3762 10.3762 k =-0.1428 0.3187 0.9961 ( 4177 PWs) bands (ev): -21.2648 -21.2648 -21.2634 -21.2634 -12.5683 -12.5683 -12.0307 -12.0307 -6.0967 -6.0967 -6.0795 -6.0795 -5.3617 -5.3617 -5.2148 -5.2148 -5.1741 -5.1741 -5.0401 -5.0401 0.1122 0.1122 1.2352 1.2352 1.3009 1.3009 2.3625 2.3625 2.4531 2.4531 2.6234 2.6234 3.8664 3.8664 4.0557 4.0557 4.3881 4.3881 5.1452 5.1452 5.2560 5.2560 8.5460 8.5460 9.3490 9.3490 10.3788 10.3788 k =-0.1494 0.3334 0.9800 ( 4179 PWs) bands (ev): -21.2654 -21.2654 -21.2643 -21.2643 -12.5703 -12.5703 -12.0328 -12.0328 -6.0906 -6.0906 -6.0724 -6.0724 -5.3544 -5.3544 -5.2051 -5.2051 -5.1690 -5.1690 -5.0331 -5.0331 0.1131 0.1131 1.2231 1.2231 1.2955 1.2955 2.3446 2.3446 2.4529 2.4529 2.6158 2.6158 3.8648 3.8648 4.0454 4.0454 4.3714 4.3714 5.1364 5.1364 5.2506 5.2506 8.5447 8.5447 9.3934 9.3934 10.3799 10.3799 k =-0.1560 0.3482 0.9638 ( 4179 PWs) bands (ev): -21.2659 -21.2659 -21.2653 -21.2653 -12.5724 -12.5724 -12.0349 -12.0349 -6.0846 -6.0846 -6.0655 -6.0655 -5.3467 -5.3467 -5.1973 -5.1973 -5.1620 -5.1620 -5.0261 -5.0261 0.1141 0.1141 1.2108 1.2108 1.2900 1.2900 2.3266 2.3266 2.4527 2.4527 2.6082 2.6082 3.8623 3.8623 4.0348 4.0348 4.3562 4.3562 5.1276 5.1276 5.2452 5.2452 8.5408 8.5408 9.4410 9.4410 10.3796 10.3796 k =-0.1627 0.3629 0.9476 ( 4181 PWs) bands (ev): -21.2665 -21.2665 -21.2662 -21.2662 -12.5744 -12.5744 -12.0370 -12.0370 -6.0787 -6.0787 -6.0587 -6.0587 -5.3387 -5.3387 -5.1916 -5.1916 -5.1530 -5.1530 -5.0191 -5.0191 0.1152 0.1152 1.1985 1.1985 1.2846 1.2846 2.3085 2.3085 2.4525 2.4525 2.6006 2.6006 3.8588 3.8588 4.0243 4.0243 4.3425 4.3425 5.1189 5.1189 5.2398 5.2398 8.5348 8.5348 9.4912 9.4912 10.3778 10.3778 k =-0.1693 0.3777 0.9315 ( 4183 PWs) bands (ev): -21.2671 -21.2671 -21.2671 -21.2671 -12.5764 -12.5764 -12.0391 -12.0391 -6.0729 -6.0729 -6.0522 -6.0522 -5.3305 -5.3305 -5.1874 -5.1874 -5.1424 -5.1424 -5.0123 -5.0123 0.1162 0.1162 1.1861 1.1861 1.2792 1.2792 2.2906 2.2906 2.4523 2.4523 2.5932 2.5932 3.8539 3.8539 4.0141 4.0141 4.3304 4.3304 5.1103 5.1103 5.2346 5.2346 8.5271 8.5271 9.5432 9.5432 10.3747 10.3747 k =-0.1759 0.3925 0.9153 ( 4182 PWs) bands (ev): -21.2680 -21.2680 -21.2676 -21.2676 -12.5784 -12.5784 -12.0411 -12.0411 -6.0674 -6.0674 -6.0459 -6.0459 -5.3220 -5.3220 -5.1844 -5.1844 -5.1311 -5.1311 -5.0057 -5.0057 0.1173 0.1173 1.1738 1.1738 1.2739 1.2739 2.2730 2.2730 2.4521 2.4521 2.5859 2.5859 3.8477 3.8477 4.0048 4.0048 4.3197 4.3197 5.1018 5.1018 5.2295 5.2295 8.5180 8.5180 9.5964 9.5964 10.3702 10.3702 k =-0.1825 0.4072 0.8991 ( 4188 PWs) bands (ev): -21.2689 -21.2689 -21.2682 -21.2682 -12.5803 -12.5803 -12.0430 -12.0430 -6.0622 -6.0622 -6.0399 -6.0399 -5.3134 -5.3134 -5.1821 -5.1821 -5.1193 -5.1193 -4.9992 -4.9992 0.1184 0.1184 1.1617 1.1617 1.2688 1.2688 2.2557 2.2557 2.4518 2.4518 2.5788 2.5788 3.8401 3.8401 3.9965 3.9965 4.3104 4.3104 5.0936 5.0936 5.2245 5.2245 8.5080 8.5080 9.6501 9.6501 10.3646 10.3646 k =-0.1891 0.4220 0.8829 ( 4188 PWs) bands (ev): -21.2697 -21.2697 -21.2687 -21.2687 -12.5822 -12.5822 -12.0449 -12.0449 -6.0572 -6.0572 -6.0342 -6.0342 -5.3047 -5.3047 -5.1804 -5.1804 -5.1076 -5.1076 -4.9931 -4.9931 0.1195 0.1195 1.1499 1.1499 1.2639 1.2639 2.2390 2.2390 2.4516 2.4516 2.5721 2.5721 3.8311 3.8311 3.9894 3.9894 4.3023 4.3023 5.0856 5.0856 5.2198 5.2198 8.4973 8.4973 9.7038 9.7038 10.3581 10.3581 k =-0.1957 0.4367 0.8668 ( 4178 PWs) bands (ev): -21.2705 -21.2705 -21.2692 -21.2692 -12.5839 -12.5839 -12.0467 -12.0467 -6.0525 -6.0525 -6.0289 -6.0289 -5.2959 -5.2959 -5.1791 -5.1791 -5.0960 -5.0960 -4.9872 -4.9872 0.1205 0.1205 1.1384 1.1384 1.2591 1.2591 2.2229 2.2229 2.4514 2.4514 2.5656 2.5656 3.8211 3.8211 3.9837 3.9837 4.2954 4.2954 5.0780 5.0780 5.2153 5.2153 8.4864 8.4864 9.7568 9.7568 10.3508 10.3508 k =-0.2023 0.4515 0.8506 ( 4186 PWs) bands (ev): -21.2712 -21.2712 -21.2697 -21.2697 -12.5856 -12.5856 -12.0484 -12.0484 -6.0481 -6.0481 -6.0239 -6.0239 -5.2871 -5.2871 -5.1782 -5.1782 -5.0848 -5.0848 -4.9817 -4.9817 0.1216 0.1216 1.1274 1.1274 1.2546 1.2546 2.2075 2.2075 2.4512 2.4512 2.5595 2.5595 3.8102 3.8102 3.9791 3.9791 4.2893 4.2893 5.0707 5.0707 5.2110 5.2110 8.4754 8.4754 9.8084 9.8084 10.3429 10.3429 k =-0.2090 0.4663 0.8344 ( 4189 PWs) bands (ev): -21.2719 -21.2719 -21.2701 -21.2701 -12.5871 -12.5871 -12.0500 -12.0500 -6.0441 -6.0441 -6.0194 -6.0194 -5.2785 -5.2785 -5.1776 -5.1776 -5.0740 -5.0740 -4.9767 -4.9767 0.1226 0.1226 1.1170 1.1170 1.2504 1.2504 2.1930 2.1930 2.4510 2.4510 2.5538 2.5538 3.7989 3.7989 3.9755 3.9755 4.2842 4.2842 5.0639 5.0639 5.2071 5.2071 8.4647 8.4647 9.8580 9.8580 10.3347 10.3347 k =-0.2156 0.4810 0.8182 ( 4187 PWs) bands (ev): -21.2726 -21.2726 -21.2706 -21.2706 -12.5886 -12.5886 -12.0515 -12.0515 -6.0404 -6.0404 -6.0152 -6.0152 -5.2700 -5.2700 -5.1775 -5.1775 -5.0639 -5.0639 -4.9720 -4.9720 0.1235 0.1235 1.1073 1.1073 1.2465 1.2465 2.1795 2.1795 2.4507 2.4507 2.5485 2.5485 3.7876 3.7876 3.9729 3.9729 4.2798 4.2798 5.0576 5.0576 5.2034 5.2034 8.4544 8.4544 9.9050 9.9050 10.3265 10.3265 k =-0.2222 0.4958 0.8021 ( 4193 PWs) bands (ev): -21.2731 -21.2731 -21.2709 -21.2709 -12.5899 -12.5899 -12.0529 -12.0529 -6.0371 -6.0371 -6.0114 -6.0114 -5.2618 -5.2618 -5.1777 -5.1777 -5.0545 -5.0545 -4.9678 -4.9678 0.1244 0.1244 1.0983 1.0983 1.2429 1.2429 2.1671 2.1671 2.4505 2.4505 2.5437 2.5437 3.7766 3.7766 3.9708 3.9708 4.2762 4.2762 5.0518 5.0518 5.2000 5.2000 8.4447 8.4447 9.9488 9.9488 10.3185 10.3185 k =-0.2288 0.5105 0.7859 ( 4191 PWs) bands (ev): -21.2737 -21.2737 -21.2713 -21.2713 -12.5911 -12.5911 -12.0541 -12.0541 -6.0342 -6.0342 -6.0081 -6.0081 -5.2538 -5.2538 -5.1783 -5.1783 -5.0459 -5.0459 -4.9641 -4.9641 0.1252 0.1252 1.0901 1.0901 1.2397 1.2397 2.1559 2.1559 2.4504 2.4504 2.5394 2.5394 3.7663 3.7663 3.9694 3.9694 4.2730 4.2730 5.0466 5.0466 5.1971 5.1971 8.4358 8.4358 9.9888 9.9888 10.3109 10.3109 k =-0.2354 0.5253 0.7697 ( 4197 PWs) bands (ev): -21.2741 -21.2741 -21.2716 -21.2716 -12.5921 -12.5921 -12.0551 -12.0551 -6.0316 -6.0316 -6.0052 -6.0052 -5.2463 -5.2463 -5.1794 -5.1794 -5.0382 -5.0382 -4.9609 -4.9609 0.1259 0.1259 1.0829 1.0829 1.2369 1.2369 2.1460 2.1460 2.4502 2.4502 2.5356 2.5356 3.7568 3.7568 3.9683 3.9683 4.2704 4.2704 5.0420 5.0420 5.1945 5.1945 8.4278 8.4278 10.0247 10.0247 10.3038 10.3038 k =-0.2420 0.5401 0.7535 ( 4199 PWs) bands (ev): -21.2745 -21.2745 -21.2719 -21.2719 -12.5930 -12.5930 -12.0561 -12.0561 -6.0295 -6.0295 -6.0027 -6.0027 -5.2393 -5.2393 -5.1807 -5.1807 -5.0315 -5.0315 -4.9583 -4.9583 0.1265 0.1265 1.0766 1.0766 1.2344 1.2344 2.1375 2.1375 2.4501 2.4501 2.5324 2.5324 3.7484 3.7484 3.9676 3.9676 4.2683 4.2683 5.0381 5.0381 5.1923 5.1923 8.4208 8.4208 10.0558 10.0558 10.2976 10.2976 k =-0.2486 0.5548 0.7374 ( 4197 PWs) bands (ev): -21.2748 -21.2748 -21.2721 -21.2721 -12.5938 -12.5938 -12.0568 -12.0568 -6.0277 -6.0277 -6.0007 -6.0007 -5.2329 -5.2329 -5.1824 -5.1824 -5.0258 -5.0258 -4.9561 -4.9561 0.1270 0.1270 1.0714 1.0714 1.2324 1.2324 2.1304 2.1304 2.4500 2.4500 2.5297 2.5297 3.7414 3.7414 3.9671 3.9671 4.2667 4.2667 5.0348 5.0348 5.1904 5.1904 8.4150 8.4150 10.0818 10.0818 10.2922 10.2922 k =-0.2553 0.5696 0.7212 ( 4191 PWs) bands (ev): -21.2751 -21.2751 -21.2723 -21.2723 -12.5943 -12.5943 -12.0574 -12.0574 -6.0263 -6.0263 -5.9991 -5.9991 -5.2274 -5.2274 -5.1842 -5.1842 -5.0214 -5.0214 -4.9544 -4.9544 0.1275 0.1275 1.0673 1.0673 1.2309 1.2309 2.1248 2.1248 2.4499 2.4499 2.5276 2.5276 3.7358 3.7358 3.9668 3.9668 4.2654 4.2654 5.0322 5.0322 5.1890 5.1890 8.4104 8.4104 10.1024 10.1024 10.2880 10.2880 k =-0.2619 0.5843 0.7050 ( 4187 PWs) bands (ev): -21.2753 -21.2753 -21.2724 -21.2724 -12.5947 -12.5947 -12.0578 -12.0578 -6.0254 -6.0254 -5.9979 -5.9979 -5.2229 -5.2229 -5.1860 -5.1860 -5.0181 -5.0181 -4.9533 -4.9533 0.1278 0.1278 1.0643 1.0643 1.2297 1.2297 2.1208 2.1208 2.4498 2.4498 2.5260 2.5260 3.7317 3.7317 3.9666 3.9666 4.2646 4.2646 5.0304 5.0304 5.1880 5.1880 8.4071 8.4071 10.1172 10.1172 10.2848 10.2848 k =-0.2685 0.5991 0.6888 ( 4181 PWs) bands (ev): -21.2754 -21.2754 -21.2725 -21.2725 -12.5950 -12.5950 -12.0581 -12.0581 -6.0248 -6.0248 -5.9973 -5.9973 -5.2199 -5.2199 -5.1873 -5.1873 -5.0161 -5.0161 -4.9526 -4.9526 0.1280 0.1280 1.0626 1.0626 1.2291 1.2291 2.1184 2.1184 2.4498 2.4498 2.5251 2.5251 3.7293 3.7293 3.9665 3.9665 4.2641 4.2641 5.0293 5.0293 5.1873 5.1873 8.4051 8.4051 10.1262 10.1262 10.2829 10.2829 k =-0.2751 0.6138 0.6727 ( 4183 PWs) bands (ev): -21.2754 -21.2754 -21.2725 -21.2725 -12.5951 -12.5951 -12.0582 -12.0582 -6.0246 -6.0246 -5.9970 -5.9970 -5.2189 -5.2189 -5.1878 -5.1878 -5.0155 -5.0155 -4.9523 -4.9523 0.1280 0.1280 1.0620 1.0620 1.2288 1.2288 2.1176 2.1176 2.4498 2.4498 2.5248 2.5248 3.7284 3.7284 3.9664 3.9664 4.2639 4.2639 5.0289 5.0289 5.1871 5.1871 8.4044 8.4044 10.1293 10.1293 10.2823 10.2823 k =-0.2751 0.6138 0.6727 ( 4183 PWs) bands (ev): -21.2754 -21.2754 -21.2725 -21.2725 -12.5951 -12.5951 -12.0582 -12.0582 -6.0246 -6.0246 -5.9970 -5.9970 -5.2189 -5.2189 -5.1878 -5.1878 -5.0155 -5.0155 -4.9523 -4.9523 0.1280 0.1280 1.0620 1.0620 1.2288 1.2288 2.1176 2.1176 2.4498 2.4498 2.5248 2.5248 3.7284 3.7284 3.9664 3.9664 4.2639 4.2639 5.0289 5.0289 5.1871 5.1871 8.4044 8.4044 10.1293 10.1293 10.2823 10.2823 k =-0.2686 0.5992 0.6567 ( 4185 PWs) bands (ev): -21.2741 -21.2741 -21.2734 -21.2734 -12.5949 -12.5949 -12.0595 -12.0595 -6.0291 -6.0291 -5.9938 -5.9938 -5.2241 -5.2241 -5.1827 -5.1827 -5.0129 -5.0129 -4.9540 -4.9540 0.1298 0.1298 1.0608 1.0608 1.2281 1.2281 2.1091 2.1091 2.4482 2.4482 2.5194 2.5194 3.7306 3.7306 3.9671 3.9671 4.2727 4.2727 5.0271 5.0271 5.1858 5.1858 8.3725 8.3725 10.1473 10.1473 10.2980 10.2980 k =-0.2620 0.5846 0.6406 ( 4185 PWs) bands (ev): -21.2757 -21.2757 -21.2714 -21.2714 -12.5945 -12.5945 -12.0606 -12.0606 -6.0346 -6.0346 -5.9894 -5.9894 -5.2296 -5.2296 -5.1776 -5.1776 -5.0107 -5.0107 -4.9552 -4.9552 0.1315 0.1315 1.0608 1.0608 1.2279 1.2279 2.1024 2.1024 2.4465 2.4465 2.5150 2.5150 3.7327 3.7327 3.9677 3.9677 4.2799 4.2799 5.0259 5.0259 5.1850 5.1850 8.3434 8.3434 10.1660 10.1660 10.3103 10.3103 k =-0.2555 0.5700 0.6246 ( 4181 PWs) bands (ev): -21.2775 -21.2775 -21.2694 -21.2694 -12.5940 -12.5940 -12.0615 -12.0615 -6.0406 -6.0406 -5.9843 -5.9843 -5.2352 -5.2352 -5.1725 -5.1725 -5.0088 -5.0088 -4.9560 -4.9560 0.1329 0.1329 1.0618 1.0618 1.2284 1.2284 2.0976 2.0976 2.4447 2.4447 2.5116 2.5116 3.7348 3.7348 3.9683 3.9683 4.2853 4.2853 5.0255 5.0255 5.1847 5.1847 8.3169 8.3169 10.1852 10.1852 10.3195 10.3195 k =-0.2489 0.5554 0.6086 ( 4177 PWs) bands (ev): -21.2793 -21.2793 -21.2675 -21.2675 -12.5933 -12.5933 -12.0623 -12.0623 -6.0468 -6.0468 -5.9789 -5.9789 -5.2409 -5.2409 -5.1675 -5.1675 -5.0074 -5.0074 -4.9563 -4.9563 0.1342 0.1342 1.0639 1.0639 1.2295 1.2295 2.0948 2.0948 2.4429 2.4429 2.5092 2.5092 3.7367 3.7367 3.9690 3.9690 4.2890 4.2890 5.0258 5.0258 5.1848 5.1848 8.2932 8.2932 10.2046 10.2046 10.3260 10.3260 k =-0.2424 0.5408 0.5926 ( 4175 PWs) bands (ev): -21.2812 -21.2812 -21.2657 -21.2657 -12.5925 -12.5925 -12.0629 -12.0629 -6.0531 -6.0531 -5.9732 -5.9732 -5.2467 -5.2467 -5.1626 -5.1626 -5.0065 -5.0065 -4.9559 -4.9559 0.1353 0.1353 1.0670 1.0670 1.2312 1.2312 2.0938 2.0938 2.4410 2.4410 2.5079 2.5079 3.7386 3.7386 3.9697 3.9697 4.2907 4.2907 5.0269 5.0269 5.1854 5.1854 8.2720 8.2720 10.2237 10.2237 10.3299 10.3299 k =-0.2358 0.5262 0.5766 ( 4179 PWs) bands (ev): -21.2831 -21.2831 -21.2640 -21.2640 -12.5916 -12.5916 -12.0633 -12.0633 -6.0595 -6.0595 -5.9674 -5.9674 -5.2526 -5.2526 -5.1579 -5.1579 -5.0060 -5.0060 -4.9551 -4.9551 0.1362 0.1362 1.0711 1.0711 1.2335 1.2335 2.0948 2.0948 2.4391 2.4391 2.5075 2.5075 3.7404 3.7404 3.9704 3.9704 4.2905 4.2905 5.0287 5.0287 5.1864 5.1864 8.2531 8.2531 10.2417 10.2417 10.3315 10.3315 k =-0.2293 0.5115 0.5606 ( 4171 PWs) bands (ev): -21.2852 -21.2852 -21.2624 -21.2624 -12.5905 -12.5905 -12.0635 -12.0635 -6.0658 -6.0658 -5.9613 -5.9613 -5.2586 -5.2586 -5.1533 -5.1533 -5.0059 -5.0059 -4.9537 -4.9537 0.1369 0.1369 1.0762 1.0762 1.2364 1.2364 2.0977 2.0977 2.4371 2.4371 2.5083 2.5083 3.7421 3.7421 3.9711 3.9711 4.2885 4.2885 5.0312 5.0312 5.1880 5.1880 8.2365 8.2365 10.2576 10.2576 10.3308 10.3308 k =-0.2227 0.4969 0.5445 ( 4173 PWs) bands (ev): -21.2873 -21.2873 -21.2608 -21.2608 -12.5893 -12.5893 -12.0636 -12.0636 -6.0721 -6.0721 -5.9552 -5.9552 -5.2646 -5.2646 -5.1491 -5.1491 -5.0060 -5.0060 -4.9519 -4.9519 0.1374 0.1374 1.0823 1.0823 1.2399 1.2399 2.1024 2.1024 2.4350 2.4350 2.5100 2.5100 3.7438 3.7438 3.9719 3.9719 4.2845 4.2845 5.0344 5.0344 5.1900 5.1900 8.2217 8.2217 10.2696 10.2696 10.3279 10.3279 k =-0.2162 0.4823 0.5285 ( 4181 PWs) bands (ev): -21.2894 -21.2894 -21.2594 -21.2594 -12.5879 -12.5879 -12.0635 -12.0635 -6.0783 -6.0783 -5.9489 -5.9489 -5.2706 -5.2706 -5.1452 -5.1452 -5.0061 -5.0061 -4.9498 -4.9498 0.1378 0.1378 1.0893 1.0893 1.2440 1.2440 2.1091 2.1091 2.4330 2.4330 2.5127 2.5127 3.7454 3.7454 3.9726 3.9726 4.2786 4.2786 5.0383 5.0383 5.1925 5.1925 8.2085 8.2085 10.2760 10.2760 10.3230 10.3230 k =-0.2096 0.4677 0.5125 ( 4183 PWs) bands (ev): -21.2916 -21.2916 -21.2580 -21.2580 -12.5865 -12.5865 -12.0633 -12.0633 -6.0844 -6.0844 -5.9426 -5.9426 -5.2766 -5.2766 -5.1417 -5.1417 -5.0062 -5.0062 -4.9474 -4.9474 0.1380 0.1380 1.0972 1.0972 1.2486 1.2486 2.1177 2.1177 2.4308 2.4308 2.5165 2.5165 3.7468 3.7468 3.9733 3.9733 4.2710 4.2710 5.0429 5.0429 5.1954 5.1954 8.1965 8.1965 10.2761 10.2761 10.3161 10.3161 k =-0.2031 0.4531 0.4965 ( 4181 PWs) bands (ev): -21.2939 -21.2939 -21.2567 -21.2567 -12.5849 -12.5849 -12.0628 -12.0628 -6.0904 -6.0904 -5.9362 -5.9362 -5.2827 -5.2827 -5.1387 -5.1387 -5.0060 -5.0060 -4.9449 -4.9449 0.1380 0.1380 1.1059 1.1059 1.2537 1.2537 2.1281 2.1281 2.4287 2.4287 2.5211 2.5211 3.7483 3.7483 3.9741 3.9741 4.2617 4.2617 5.0482 5.0482 5.1987 5.1987 8.1853 8.1853 10.2711 10.2711 10.3073 10.3073 k =-0.1965 0.4385 0.4805 ( 4179 PWs) bands (ev): -21.2962 -21.2962 -21.2554 -21.2554 -12.5831 -12.5831 -12.0623 -12.0623 -6.0964 -6.0964 -5.9298 -5.9298 -5.2887 -5.2887 -5.1361 -5.1361 -5.0055 -5.0055 -4.9423 -4.9423 0.1379 0.1379 1.1154 1.1154 1.2593 1.2593 2.1402 2.1402 2.4266 2.4266 2.5268 2.5268 3.7496 3.7496 3.9747 3.9747 4.2508 4.2508 5.0542 5.0542 5.2025 5.2025 8.1747 8.1747 10.2633 10.2633 10.2965 10.2965 k =-0.1900 0.4238 0.4645 ( 4183 PWs) bands (ev): -21.2985 -21.2985 -21.2543 -21.2543 -12.5813 -12.5813 -12.0615 -12.0615 -6.1022 -6.1022 -5.9233 -5.9233 -5.2947 -5.2947 -5.1342 -5.1342 -5.0046 -5.0046 -4.9397 -4.9397 0.1376 0.1376 1.1256 1.1256 1.2654 1.2654 2.1541 2.1541 2.4244 2.4244 2.5332 2.5332 3.7507 3.7507 3.9753 3.9753 4.2385 4.2385 5.0608 5.0608 5.2066 5.2066 8.1641 8.1641 10.2547 10.2547 10.2838 10.2838 k =-0.1834 0.4092 0.4485 ( 4189 PWs) bands (ev): -21.3009 -21.3009 -21.2532 -21.2532 -12.5794 -12.5794 -12.0607 -12.0607 -6.1079 -6.1079 -5.9168 -5.9168 -5.3006 -5.3006 -5.1328 -5.1328 -5.0032 -5.0032 -4.9370 -4.9370 0.1372 0.1372 1.1364 1.1364 1.2718 1.2718 2.1697 2.1697 2.4222 2.4222 2.5406 2.5406 3.7518 3.7518 3.9756 3.9756 4.2248 4.2248 5.0680 5.0680 5.2112 5.2112 8.1532 8.1532 10.2469 10.2469 10.2691 10.2691 k =-0.1769 0.3946 0.4324 ( 4183 PWs) bands (ev): -21.3032 -21.3032 -21.2523 -21.2523 -12.5775 -12.5775 -12.0597 -12.0597 -6.1135 -6.1135 -5.9104 -5.9104 -5.3065 -5.3065 -5.1319 -5.1319 -5.0013 -5.0013 -4.9344 -4.9344 0.1367 0.1367 1.1479 1.1479 1.2787 1.2787 2.1870 2.1870 2.4201 2.4201 2.5487 2.5487 3.7527 3.7527 3.9758 3.9758 4.2100 4.2100 5.0758 5.0758 5.2161 5.2161 8.1415 8.1415 10.2405 10.2405 10.2526 10.2526 k =-0.1703 0.3800 0.4164 ( 4179 PWs) bands (ev): -21.3056 -21.3056 -21.2514 -21.2514 -12.5754 -12.5754 -12.0586 -12.0586 -6.1190 -6.1190 -5.9039 -5.9039 -5.3123 -5.3123 -5.1316 -5.1316 -4.9989 -4.9989 -4.9319 -4.9319 0.1361 0.1361 1.1598 1.1598 1.2859 1.2859 2.2057 2.2057 2.4179 2.4179 2.5575 2.5575 3.7535 3.7535 3.9757 3.9757 4.1944 4.1944 5.0842 5.0842 5.2213 5.2213 8.1288 8.1288 10.2294 10.2294 10.2410 10.2410 k =-0.1638 0.3654 0.4004 ( 4179 PWs) bands (ev): -21.3080 -21.3080 -21.2505 -21.2505 -12.5733 -12.5733 -12.0574 -12.0574 -6.1243 -6.1243 -5.8975 -5.8975 -5.3181 -5.3181 -5.1318 -5.1318 -4.9959 -4.9959 -4.9294 -4.9294 0.1353 0.1353 1.1722 1.1722 1.2934 1.2934 2.2259 2.2259 2.4158 2.4158 2.5670 2.5670 3.7541 3.7541 3.9751 3.9751 4.1780 4.1780 5.0931 5.0931 5.2269 5.2269 8.1147 8.1147 10.2082 10.2082 10.2403 10.2403 k =-0.1572 0.3508 0.3844 ( 4181 PWs) bands (ev): -21.3104 -21.3104 -21.2498 -21.2498 -12.5711 -12.5711 -12.0561 -12.0561 -6.1295 -6.1295 -5.8912 -5.8912 -5.3237 -5.3237 -5.1324 -5.1324 -4.9926 -4.9926 -4.9270 -4.9270 0.1345 0.1345 1.1849 1.1849 1.3012 1.3012 2.2475 2.2475 2.4136 2.4136 2.5771 2.5771 3.7545 3.7545 3.9739 3.9739 4.1613 4.1613 5.1024 5.1024 5.2328 5.2328 8.0991 8.0991 10.1833 10.1833 10.2441 10.2441 k =-0.1507 0.3362 0.3684 ( 4175 PWs) bands (ev): -21.3128 -21.3128 -21.2491 -21.2491 -12.5689 -12.5689 -12.0547 -12.0547 -6.1345 -6.1345 -5.8849 -5.8849 -5.3293 -5.3293 -5.1334 -5.1334 -4.9888 -4.9888 -4.9247 -4.9247 0.1336 0.1336 1.1978 1.1978 1.3092 1.3092 2.2704 2.2704 2.4115 2.4115 2.5877 2.5877 3.7548 3.7548 3.9720 3.9720 4.1446 4.1446 5.1122 5.1122 5.2389 5.2389 8.0817 8.0817 10.1555 10.1555 10.2519 10.2519 k =-0.1441 0.3215 0.3524 ( 4177 PWs) bands (ev): -21.3151 -21.3151 -21.2485 -21.2485 -12.5667 -12.5667 -12.0533 -12.0533 -6.1394 -6.1394 -5.8788 -5.8788 -5.3347 -5.3347 -5.1346 -5.1346 -4.9848 -4.9848 -4.9225 -4.9225 0.1326 0.1326 1.2110 1.2110 1.3173 1.3173 2.2945 2.2945 2.4093 2.4093 2.5988 2.5988 3.7547 3.7547 3.9689 3.9689 4.1283 4.1283 5.1223 5.1223 5.2452 5.2452 8.0625 8.0625 10.1249 10.1249 10.2636 10.2636 k =-0.1376 0.3069 0.3363 ( 4177 PWs) bands (ev): -21.3174 -21.3174 -21.2480 -21.2480 -12.5645 -12.5645 -12.0517 -12.0517 -6.1441 -6.1441 -5.8728 -5.8728 -5.3401 -5.3401 -5.1360 -5.1360 -4.9805 -4.9805 -4.9204 -4.9204 0.1316 0.1316 1.2242 1.2242 1.3257 1.3257 2.3196 2.3196 2.4073 2.4073 2.6102 2.6102 3.7544 3.7544 3.9646 3.9646 4.1129 4.1129 5.1327 5.1327 5.2518 5.2518 8.0414 8.0414 10.0915 10.0915 10.2790 10.2790 k =-0.1310 0.2923 0.3203 ( 4177 PWs) bands (ev): -21.3197 -21.3197 -21.2475 -21.2475 -12.5623 -12.5623 -12.0502 -12.0502 -6.1487 -6.1487 -5.8669 -5.8669 -5.3453 -5.3453 -5.1376 -5.1376 -4.9761 -4.9761 -4.9184 -4.9184 0.1305 0.1305 1.2375 1.2375 1.3341 1.3341 2.3457 2.3457 2.4052 2.4052 2.6219 2.6219 3.7538 3.7538 3.9584 3.9584 4.0988 4.0988 5.1434 5.1434 5.2586 5.2586 8.0186 8.0186 10.0556 10.0556 10.2981 10.2981 k =-0.1245 0.2777 0.3043 ( 4185 PWs) bands (ev): -21.3219 -21.3219 -21.2471 -21.2471 -12.5600 -12.5600 -12.0486 -12.0486 -6.1530 -6.1530 -5.8611 -5.8611 -5.3504 -5.3504 -5.1393 -5.1393 -4.9715 -4.9715 -4.9164 -4.9164 0.1294 0.1294 1.2506 1.2506 1.3425 1.3425 2.3725 2.3725 2.4033 2.4033 2.6339 2.6339 3.7527 3.7527 3.9502 3.9502 4.0866 4.0866 5.1541 5.1541 5.2655 5.2655 7.9942 7.9942 10.0174 10.0174 10.3204 10.3204 k =-0.1179 0.2631 0.2883 ( 4187 PWs) bands (ev): -21.3241 -21.3241 -21.2467 -21.2467 -12.5578 -12.5578 -12.0470 -12.0470 -6.1572 -6.1572 -5.8556 -5.8556 -5.3554 -5.3554 -5.1411 -5.1411 -4.9669 -4.9669 -4.9146 -4.9146 0.1282 0.1282 1.2636 1.2636 1.3510 1.3510 2.3985 2.3985 2.4029 2.4029 2.6459 2.6459 3.7513 3.7513 3.9399 3.9399 4.0764 4.0764 5.1650 5.1650 5.2725 5.2725 7.9684 7.9684 9.9772 9.9772 10.3456 10.3456 k =-0.1114 0.2485 0.2723 ( 4187 PWs) bands (ev): -21.3262 -21.3262 -21.2464 -21.2464 -12.5557 -12.5557 -12.0454 -12.0454 -6.1612 -6.1612 -5.8502 -5.8502 -5.3602 -5.3602 -5.1428 -5.1428 -4.9623 -4.9623 -4.9128 -4.9128 0.1271 0.1271 1.2763 1.2763 1.3595 1.3595 2.3990 2.3990 2.4285 2.4285 2.6580 2.6580 3.7492 3.7492 3.9277 3.9277 4.0685 4.0685 5.1758 5.1758 5.2797 5.2797 7.9414 7.9414 9.9354 9.9354 10.3732 10.3732 k =-0.1048 0.2338 0.2563 ( 4187 PWs) bands (ev): -21.3283 -21.3283 -21.2461 -21.2461 -12.5536 -12.5536 -12.0438 -12.0438 -6.1650 -6.1650 -5.8450 -5.8450 -5.3648 -5.3648 -5.1445 -5.1445 -4.9578 -4.9578 -4.9111 -4.9111 0.1260 0.1260 1.2886 1.2886 1.3679 1.3679 2.3972 2.3972 2.4569 2.4569 2.6701 2.6701 3.7465 3.7465 3.9140 3.9140 4.0626 4.0626 5.1866 5.1866 5.2868 5.2868 7.9136 7.9136 9.8925 9.8925 10.4028 10.4028 k =-0.0983 0.2192 0.2402 ( 4191 PWs) bands (ev): -21.3302 -21.3302 -21.2459 -21.2459 -12.5515 -12.5515 -12.0422 -12.0422 -6.1686 -6.1686 -5.8401 -5.8401 -5.3692 -5.3692 -5.1461 -5.1461 -4.9535 -4.9535 -4.9094 -4.9094 0.1248 0.1248 1.3005 1.3005 1.3762 1.3762 2.3954 2.3954 2.4856 2.4856 2.6820 2.6820 3.7429 3.7429 3.8993 3.8993 4.0583 4.0583 5.1971 5.1971 5.2940 5.2940 7.8853 7.8853 9.8490 9.8490 10.4335 10.4335 k =-0.0917 0.2046 0.2242 ( 4183 PWs) bands (ev): -21.3321 -21.3321 -21.2457 -21.2457 -12.5495 -12.5495 -12.0406 -12.0406 -6.1720 -6.1720 -5.8354 -5.8354 -5.3735 -5.3735 -5.1476 -5.1476 -4.9493 -4.9493 -4.9078 -4.9078 0.1237 0.1237 1.3119 1.3119 1.3845 1.3845 2.3936 2.3936 2.5142 2.5142 2.6937 2.6937 3.7382 3.7382 3.8845 3.8845 4.0553 4.0553 5.2074 5.2074 5.3013 5.3013 7.8568 7.8568 9.8055 9.8055 10.4649 10.4649 k =-0.0852 0.1900 0.2082 ( 4187 PWs) bands (ev): -21.3339 -21.3339 -21.2455 -21.2455 -12.5477 -12.5477 -12.0391 -12.0391 -6.1752 -6.1752 -5.8309 -5.8309 -5.3775 -5.3775 -5.1490 -5.1490 -4.9453 -4.9453 -4.9062 -4.9062 0.1227 0.1227 1.3227 1.3227 1.3925 1.3925 2.3919 2.3919 2.5426 2.5426 2.7051 2.7051 3.7323 3.7323 3.8702 3.8702 4.0533 4.0533 5.2173 5.2173 5.3084 5.3084 7.8284 7.8284 9.7624 9.7624 10.4963 10.4963 k =-0.0786 0.1754 0.1922 ( 4183 PWs) bands (ev): -21.3356 -21.3356 -21.2454 -21.2454 -12.5459 -12.5459 -12.0377 -12.0377 -6.1782 -6.1782 -5.8267 -5.8267 -5.3813 -5.3813 -5.1503 -5.1503 -4.9417 -4.9417 -4.9046 -4.9046 0.1216 0.1216 1.3328 1.3328 1.4003 1.4003 2.3903 2.3903 2.5706 2.5706 2.7162 2.7162 3.7249 3.7249 3.8569 3.8569 4.0519 4.0519 5.2268 5.2268 5.3154 5.3154 7.8005 7.8005 9.7203 9.7203 10.5269 10.5269 k =-0.0721 0.1608 0.1762 ( 4183 PWs) bands (ev): -21.3372 -21.3372 -21.2453 -21.2453 -12.5442 -12.5442 -12.0363 -12.0363 -6.1810 -6.1810 -5.8228 -5.8228 -5.3849 -5.3849 -5.1515 -5.1515 -4.9383 -4.9383 -4.9030 -4.9030 0.1207 0.1207 1.3422 1.3422 1.4078 1.4078 2.3888 2.3888 2.5979 2.5979 2.7269 2.7269 3.7159 3.7159 3.8452 3.8452 4.0512 4.0512 5.2357 5.2357 5.3223 5.3223 7.7735 7.7735 9.6797 9.6797 10.5562 10.5562 k =-0.0655 0.1462 0.1602 ( 4179 PWs) bands (ev): -21.3386 -21.3386 -21.2452 -21.2452 -12.5426 -12.5426 -12.0350 -12.0350 -6.1835 -6.1835 -5.8192 -5.8192 -5.3882 -5.3882 -5.1526 -5.1526 -4.9352 -4.9352 -4.9015 -4.9015 0.1197 0.1197 1.3508 1.3508 1.4150 1.4150 2.3874 2.3874 2.6242 2.6242 2.7371 2.7371 3.7054 3.7054 3.8352 3.8352 4.0508 4.0508 5.2440 5.2440 5.3289 5.3289 7.7476 7.7476 9.6410 9.6410 10.5833 10.5833 k =-0.0590 0.1315 0.1441 ( 4179 PWs) bands (ev): -21.3399 -21.3399 -21.2451 -21.2451 -12.5411 -12.5411 -12.0338 -12.0338 -6.1858 -6.1858 -5.8160 -5.8160 -5.3913 -5.3913 -5.1535 -5.1535 -4.9325 -4.9325 -4.9000 -4.9000 0.1189 0.1189 1.3587 1.3587 1.4218 1.4218 2.3861 2.3861 2.6492 2.6492 2.7468 2.7468 3.6936 3.6936 3.8271 3.8271 4.0506 4.0506 5.2517 5.2517 5.3352 5.3352 7.7232 7.7232 9.6048 9.6048 10.6077 10.6077 k =-0.0524 0.1169 0.1281 ( 4183 PWs) bands (ev): -21.3412 -21.3412 -21.2451 -21.2451 -12.5398 -12.5398 -12.0327 -12.0327 -6.1879 -6.1879 -5.8130 -5.8130 -5.3940 -5.3940 -5.1544 -5.1544 -4.9301 -4.9301 -4.8985 -4.8985 0.1181 0.1181 1.3657 1.3657 1.4281 1.4281 2.3849 2.3849 2.6725 2.6725 2.7561 2.7561 3.6812 3.6812 3.8206 3.8206 4.0505 4.0505 5.2586 5.2586 5.3412 5.3412 7.7006 7.7006 9.5714 9.5714 10.6287 10.6287 k =-0.0459 0.1023 0.1121 ( 4191 PWs) bands (ev): -21.3422 -21.3422 -21.2450 -21.2450 -12.5386 -12.5386 -12.0317 -12.0317 -6.1898 -6.1898 -5.8103 -5.8103 -5.3965 -5.3965 -5.1551 -5.1551 -4.9280 -4.9280 -4.8971 -4.8971 0.1173 0.1173 1.3719 1.3719 1.4339 1.4339 2.3838 2.3838 2.6938 2.6938 2.7649 2.7649 3.6685 3.6685 3.8155 3.8155 4.0506 4.0506 5.2647 5.2647 5.3466 5.3466 7.6800 7.6800 9.5411 9.5411 10.6460 10.6460 k =-0.0393 0.0877 0.0961 ( 4191 PWs) bands (ev): -21.3432 -21.3432 -21.2450 -21.2450 -12.5376 -12.5376 -12.0309 -12.0309 -6.1914 -6.1914 -5.8080 -5.8080 -5.3987 -5.3987 -5.1557 -5.1557 -4.9263 -4.9263 -4.8958 -4.8958 0.1167 0.1167 1.3772 1.3772 1.4391 1.4391 2.3828 2.3828 2.7125 2.7125 2.7732 2.7732 3.6561 3.6561 3.8115 3.8115 4.0507 4.0507 5.2701 5.2701 5.3516 5.3516 7.6616 7.6616 9.5142 9.5142 10.6594 10.6594 k =-0.0328 0.0731 0.0801 ( 4191 PWs) bands (ev): -21.3440 -21.3440 -21.2450 -21.2450 -12.5367 -12.5367 -12.0301 -12.0301 -6.1928 -6.1928 -5.8060 -5.8060 -5.4006 -5.4006 -5.1562 -5.1562 -4.9249 -4.9249 -4.8946 -4.8946 0.1162 0.1162 1.3818 1.3818 1.4435 1.4435 2.3820 2.3820 2.7283 2.7283 2.7812 2.7812 3.6446 3.6446 3.8085 3.8085 4.0509 4.0509 5.2747 5.2747 5.3559 5.3559 7.6457 7.6457 9.4911 9.4911 10.6690 10.6691 k =-0.0262 0.0585 0.0641 ( 4191 PWs) bands (ev): -21.3447 -21.3447 -21.2450 -21.2450 -12.5360 -12.5360 -12.0295 -12.0295 -6.1939 -6.1939 -5.8044 -5.8044 -5.4021 -5.4021 -5.1566 -5.1566 -4.9238 -4.9238 -4.8936 -4.8936 0.1157 0.1157 1.3855 1.3855 1.4473 1.4473 2.3813 2.3813 2.7409 2.7409 2.7888 2.7888 3.6345 3.6345 3.8062 3.8062 4.0511 4.0511 5.2784 5.2784 5.3596 5.3596 7.6325 7.6325 9.4718 9.4718 10.6755 10.6755 k =-0.0197 0.0438 0.0480 ( 4199 PWs) bands (ev): -21.3452 -21.3452 -21.2450 -21.2450 -12.5354 -12.5354 -12.0290 -12.0290 -6.1948 -6.1948 -5.8032 -5.8032 -5.4033 -5.4033 -5.1569 -5.1569 -4.9229 -4.9229 -4.8928 -4.8928 0.1154 0.1154 1.3883 1.3883 1.4503 1.4503 2.3808 2.3808 2.7502 2.7502 2.7955 2.7955 3.6261 3.6261 3.8046 3.8046 4.0513 4.0513 5.2814 5.2814 5.3625 5.3625 7.6220 7.6220 9.4567 9.4567 10.6796 10.6796 k =-0.0131 0.0292 0.0320 ( 4195 PWs) bands (ev): -21.3455 -21.3455 -21.2450 -21.2450 -12.5350 -12.5350 -12.0287 -12.0287 -6.1954 -6.1954 -5.8023 -5.8023 -5.4042 -5.4042 -5.1571 -5.1571 -4.9223 -4.9223 -4.8922 -4.8922 0.1151 0.1151 1.3904 1.3904 1.4525 1.4525 2.3804 2.3804 2.7566 2.7566 2.8009 2.8009 3.6199 3.6199 3.8035 3.8035 4.0514 4.0514 5.2835 5.2835 5.3647 5.3647 7.6145 7.6145 9.4458 9.4458 10.6820 10.6820 k =-0.0066 0.0146 0.0160 ( 4185 PWs) bands (ev): -21.3458 -21.3458 -21.2450 -21.2450 -12.5347 -12.5347 -12.0284 -12.0284 -6.1958 -6.1958 -5.8017 -5.8017 -5.4047 -5.4047 -5.1572 -5.1572 -4.9220 -4.9220 -4.8918 -4.8918 0.1150 0.1150 1.3916 1.3916 1.4538 1.4538 2.3802 2.3802 2.7602 2.7602 2.8045 2.8045 3.6161 3.6161 3.8029 3.8029 4.0515 4.0515 5.2848 5.2848 5.3660 5.3660 7.6099 7.6099 9.4392 9.4392 10.6832 10.6832 k = 0.0000 0.0000 0.0000 ( 4179 PWs) bands (ev): -21.3458 -21.3458 -21.2450 -21.2450 -12.5346 -12.5346 -12.0284 -12.0284 -6.1959 -6.1959 -5.8015 -5.8015 -5.4049 -5.4049 -5.1573 -5.1573 -4.9219 -4.9219 -4.8917 -4.8917 0.1149 0.1149 1.3920 1.3920 1.4542 1.4542 2.3801 2.3801 2.7614 2.7614 2.8057 2.8057 3.6148 3.6148 3.8027 3.8027 4.0516 4.0516 5.2852 5.2852 5.3665 5.3665 7.6084 7.6084 9.4370 9.4370 10.6835 10.6835 k = 0.0000 0.0000 0.0000 ( 4179 PWs) bands (ev): -21.3458 -21.3458 -21.2450 -21.2450 -12.5346 -12.5346 -12.0284 -12.0284 -6.1959 -6.1959 -5.8015 -5.8015 -5.4049 -5.4049 -5.1573 -5.1573 -4.9219 -4.9219 -4.8917 -4.8917 0.1149 0.1149 1.3920 1.3920 1.4542 1.4542 2.3801 2.3801 2.7614 2.7614 2.8057 2.8057 3.6148 3.6148 3.8027 3.8027 4.0516 4.0516 5.2852 5.2852 5.3665 5.3665 7.6084 7.6084 9.4370 9.4370 10.6835 10.6835 k = 0.0208 0.0093 0.0000 ( 4183 PWs) bands (ev): -21.3458 -21.3458 -21.2450 -21.2450 -12.5348 -12.5348 -12.0282 -12.0282 -6.1955 -6.1955 -5.8018 -5.8018 -5.4045 -5.4045 -5.1573 -5.1573 -4.9218 -4.9218 -4.8922 -4.8922 0.1149 0.1149 1.3918 1.3918 1.4540 1.4540 2.3796 2.3796 2.7617 2.7617 2.8060 2.8060 3.6145 3.6145 3.8027 3.8027 4.0516 4.0516 5.2852 5.2852 5.3664 5.3664 7.6115 7.6115 9.4359 9.4359 10.6861 10.6861 k = 0.0417 0.0187 0.0000 ( 4195 PWs) bands (ev): -21.3457 -21.3457 -21.2452 -21.2452 -12.5352 -12.5352 -12.0278 -12.0278 -6.1944 -6.1944 -5.8024 -5.8024 -5.4035 -5.4035 -5.1576 -5.1576 -4.9215 -4.9215 -4.8938 -4.8938 0.1147 0.1147 1.3913 1.3913 1.4534 1.4534 2.3784 2.3784 2.7625 2.7625 2.8070 2.8070 3.6135 3.6135 3.8026 3.8026 4.0515 4.0515 5.2851 5.2851 5.3663 5.3663 7.6209 7.6209 9.4326 9.4326 10.6937 10.6937 k = 0.0625 0.0280 0.0000 ( 4195 PWs) bands (ev): -21.3454 -21.3454 -21.2454 -21.2454 -12.5360 -12.5360 -12.0270 -12.0270 -6.1925 -6.1925 -5.8036 -5.8036 -5.4017 -5.4017 -5.1580 -5.1580 -4.9211 -4.9211 -4.8964 -4.8964 0.1145 0.1145 1.3904 1.3904 1.4525 1.4525 2.3763 2.3763 2.7640 2.7640 2.8087 2.8087 3.6119 3.6119 3.8026 3.8026 4.0515 4.0515 5.2851 5.2851 5.3661 5.3661 7.6364 7.6364 9.4273 9.4273 10.6492 10.6492 k = 0.0833 0.0373 0.0000 ( 4191 PWs) bands (ev): -21.3451 -21.3451 -21.2457 -21.2457 -12.5370 -12.5370 -12.0260 -12.0260 -6.1899 -6.1899 -5.8051 -5.8051 -5.3992 -5.3992 -5.1585 -5.1585 -4.9205 -4.9205 -4.8999 -4.8999 0.1141 0.1141 1.3893 1.3893 1.4512 1.4512 2.3738 2.3738 2.7660 2.7660 2.8110 2.8110 3.6095 3.6095 3.8025 3.8025 4.0515 4.0515 5.2850 5.2850 5.3659 5.3659 7.6580 7.6580 9.4201 9.4201 10.5781 10.5781 k = 0.1042 0.0467 0.0000 ( 4207 PWs) bands (ev): -21.3448 -21.3448 -21.2461 -21.2461 -12.5382 -12.5382 -12.0248 -12.0248 -6.1866 -6.1866 -5.8071 -5.8071 -5.3961 -5.3961 -5.1592 -5.1592 -4.9197 -4.9197 -4.9044 -4.9044 0.1135 0.1135 1.3877 1.3877 1.4495 1.4495 2.3710 2.3710 2.7684 2.7684 2.8138 2.8138 3.6063 3.6063 3.8023 3.8023 4.0515 4.0515 5.2850 5.2850 5.3657 5.3657 7.6853 7.6853 9.4113 9.4113 10.5052 10.5052 k = 0.1250 0.0560 0.0000 ( 4203 PWs) bands (ev): -21.3443 -21.3443 -21.2466 -21.2466 -12.5397 -12.5397 -12.0233 -12.0233 -6.1828 -6.1828 -5.8094 -5.8094 -5.3923 -5.3923 -5.1600 -5.1600 -4.9188 -4.9188 -4.9097 -4.9097 0.1126 0.1126 1.3860 1.3860 1.4475 1.4475 2.3682 2.3682 2.7714 2.7714 2.8172 2.8172 3.6021 3.6021 3.8022 3.8022 4.0515 4.0515 5.2849 5.2849 5.3654 5.3654 7.7183 7.7183 9.4011 9.4011 10.4312 10.4312 k = 0.1458 0.0654 0.0000 ( 4195 PWs) bands (ev): -21.3438 -21.3438 -21.2471 -21.2471 -12.5414 -12.5414 -12.0216 -12.0216 -6.1783 -6.1783 -5.8121 -5.8121 -5.3879 -5.3879 -5.1609 -5.1609 -4.9178 -4.9178 -4.9158 -4.9158 0.1113 0.1113 1.3840 1.3840 1.4453 1.4453 2.3658 2.3658 2.7748 2.7748 2.8211 2.8211 3.5969 3.5969 3.8021 3.8021 4.0515 4.0515 5.2848 5.2848 5.3650 5.3650 7.7566 7.7566 9.3898 9.3898 10.3565 10.3565 k = 0.1667 0.0747 0.0000 ( 4195 PWs) bands (ev): -21.3432 -21.3432 -21.2477 -21.2477 -12.5433 -12.5433 -12.0197 -12.0197 -6.1734 -6.1734 -5.8151 -5.8151 -5.3830 -5.3830 -5.1619 -5.1619 -4.9226 -4.9226 -4.9167 -4.9167 0.1095 0.1095 1.3818 1.3818 1.4429 1.4429 2.3641 2.3641 2.7785 2.7785 2.8253 2.8253 3.5904 3.5904 3.8019 3.8019 4.0515 4.0515 5.2847 5.2847 5.3647 5.3647 7.7998 7.7998 9.3778 9.3778 10.2814 10.2814 k = 0.1875 0.0840 0.0000 ( 4167 PWs) bands (ev): -21.3425 -21.3425 -21.2484 -21.2484 -12.5452 -12.5452 -12.0177 -12.0177 -6.1680 -6.1680 -5.8184 -5.8184 -5.3775 -5.3775 -5.1629 -5.1629 -4.9301 -4.9301 -4.9155 -4.9155 0.1073 0.1073 1.3794 1.3794 1.4403 1.4403 2.3632 2.3632 2.7825 2.7825 2.8299 2.8299 3.5828 3.5828 3.8019 3.8019 4.0516 4.0516 5.2848 5.2848 5.3644 5.3644 7.8477 7.8477 9.3652 9.3652 10.2061 10.2061 k = 0.2083 0.0934 0.0000 ( 4179 PWs) bands (ev): -21.3418 -21.3418 -21.2491 -21.2491 -12.5473 -12.5473 -12.0156 -12.0156 -6.1622 -6.1622 -5.8220 -5.8220 -5.3716 -5.3716 -5.1640 -5.1640 -4.9380 -4.9380 -4.9143 -4.9143 0.1044 0.1044 1.3769 1.3769 1.4376 1.4376 2.3635 2.3635 2.7867 2.7867 2.8347 2.8347 3.5740 3.5740 3.8017 3.8017 4.0515 4.0515 5.2846 5.2846 5.3640 5.3640 7.8998 7.8998 9.3524 9.3524 10.1307 10.1307 k = 0.2292 0.1027 0.0000 ( 4183 PWs) bands (ev): -21.3411 -21.3411 -21.2498 -21.2498 -12.5495 -12.5495 -12.0135 -12.0135 -6.1563 -6.1563 -5.8258 -5.8258 -5.3653 -5.3653 -5.1651 -5.1651 -4.9463 -4.9463 -4.9130 -4.9130 0.1010 0.1010 1.3744 1.3744 1.4348 1.4348 2.3652 2.3652 2.7911 2.7911 2.8397 2.8397 3.5640 3.5640 3.8015 3.8015 4.0515 4.0515 5.2845 5.2845 5.3635 5.3635 7.9557 7.9557 9.3395 9.3395 10.0553 10.0553 k = 0.2500 0.1120 0.0000 ( 4183 PWs) bands (ev): -21.3403 -21.3403 -21.2506 -21.2506 -12.5516 -12.5516 -12.0113 -12.0113 -6.1501 -6.1501 -5.8297 -5.8297 -5.3587 -5.3587 -5.1663 -5.1663 -4.9549 -4.9549 -4.9118 -4.9118 0.0972 0.0972 1.3718 1.3718 1.4319 1.4319 2.3682 2.3682 2.7955 2.7955 2.8447 2.8447 3.5528 3.5528 3.8013 3.8013 4.0515 4.0515 5.2844 5.2844 5.3631 5.3631 8.0149 8.0149 9.3269 9.3269 9.9800 9.9800 k = 0.2708 0.1214 0.0000 ( 4175 PWs) bands (ev): -21.3395 -21.3395 -21.2514 -21.2514 -12.5538 -12.5538 -12.0091 -12.0091 -6.1439 -6.1439 -5.8336 -5.8336 -5.3518 -5.3518 -5.1674 -5.1674 -4.9637 -4.9637 -4.9105 -4.9105 0.0928 0.0928 1.3693 1.3693 1.4291 1.4291 2.3727 2.3727 2.8000 2.8000 2.8497 2.8497 3.5407 3.5407 3.8012 3.8012 4.0515 4.0515 5.2843 5.2843 5.3627 5.3627 8.0770 8.0770 9.3147 9.3147 9.9050 9.9050 k = 0.2917 0.1307 0.0000 ( 4175 PWs) bands (ev): -21.3387 -21.3387 -21.2522 -21.2522 -12.5559 -12.5559 -12.0070 -12.0070 -6.1377 -6.1377 -5.8376 -5.8376 -5.3448 -5.3448 -5.1685 -5.1685 -4.9725 -4.9725 -4.9093 -4.9093 0.0881 0.0881 1.3668 1.3668 1.4264 1.4264 2.3785 2.3785 2.8044 2.8044 2.8547 2.8547 3.5278 3.5278 3.8010 3.8010 4.0515 4.0515 5.2843 5.2843 5.3623 5.3623 8.1413 8.1413 9.3030 9.3030 9.8304 9.8304 k = 0.3125 0.1401 0.0000 ( 4199 PWs) bands (ev): -21.3380 -21.3380 -21.2529 -21.2529 -12.5579 -12.5579 -12.0049 -12.0049 -6.1317 -6.1317 -5.8416 -5.8416 -5.3378 -5.3378 -5.1695 -5.1695 -4.9813 -4.9813 -4.9081 -4.9081 0.0831 0.0831 1.3643 1.3643 1.4237 1.4237 2.3855 2.3855 2.8086 2.8086 2.8594 2.8594 3.5145 3.5145 3.8008 3.8008 4.0514 4.0514 5.2841 5.2841 5.3619 5.3619 8.2074 8.2074 9.2921 9.2921 9.7564 9.7564 k = 0.3333 0.1494 0.0000 ( 4199 PWs) bands (ev): -21.3373 -21.3373 -21.2537 -21.2537 -12.5598 -12.5598 -12.0030 -12.0030 -6.1259 -6.1259 -5.8455 -5.8455 -5.3309 -5.3309 -5.1705 -5.1705 -4.9897 -4.9897 -4.9070 -4.9070 0.0780 0.0780 1.3621 1.3621 1.4212 1.4212 2.3934 2.3934 2.8126 2.8126 2.8639 2.8639 3.5009 3.5009 3.8006 3.8006 4.0514 4.0514 5.2841 5.2841 5.3615 5.3615 8.2746 8.2746 9.2820 9.2820 9.6832 9.6832 k = 0.3542 0.1587 0.0000 ( 4199 PWs) bands (ev): -21.3366 -21.3366 -21.2544 -21.2544 -12.5615 -12.5615 -12.0012 -12.0012 -6.1204 -6.1204 -5.8492 -5.8492 -5.3242 -5.3242 -5.1714 -5.1714 -4.9978 -4.9978 -4.9060 -4.9060 0.0730 0.0730 1.3600 1.3600 1.4189 1.4189 2.4018 2.4018 2.8163 2.8163 2.8680 2.8680 3.4874 3.4874 3.8005 3.8005 4.0514 4.0514 5.2840 5.2840 5.3612 5.3612 8.3422 8.3422 9.2729 9.2729 9.6114 9.6114 k = 0.3750 0.1681 0.0000 ( 4183 PWs) bands (ev): -21.3359 -21.3359 -21.2550 -21.2550 -12.5631 -12.5631 -11.9997 -11.9997 -6.1154 -6.1154 -5.8526 -5.8526 -5.3180 -5.3180 -5.1723 -5.1723 -5.0053 -5.0053 -4.9050 -4.9050 0.0683 0.0683 1.3582 1.3582 1.4169 1.4169 2.4105 2.4105 2.8196 2.8196 2.8717 2.8717 3.4746 3.4746 3.8004 3.8004 4.0514 4.0514 5.2840 5.2840 5.3609 5.3609 8.4091 8.4091 9.2648 9.2648 9.5414 9.5414 k = 0.3958 0.1774 0.0000 ( 4175 PWs) bands (ev): -21.3353 -21.3353 -21.2556 -21.2556 -12.5645 -12.5645 -11.9983 -11.9983 -6.1109 -6.1109 -5.8556 -5.8556 -5.3122 -5.3122 -5.1730 -5.1730 -5.0120 -5.0120 -4.9042 -4.9042 0.0639 0.0639 1.3567 1.3567 1.4151 1.4151 2.4189 2.4189 2.8226 2.8226 2.8750 2.8750 3.4627 3.4627 3.8003 3.8003 4.0514 4.0514 5.2839 5.2839 5.3607 5.3607 8.4742 8.4742 9.2578 9.2578 9.4743 9.4743 k = 0.4167 0.1867 0.0000 ( 4191 PWs) bands (ev): -21.3349 -21.3349 -21.2561 -21.2561 -12.5656 -12.5656 -11.9971 -11.9971 -6.1071 -6.1071 -5.8583 -5.8583 -5.3072 -5.3072 -5.1736 -5.1736 -5.0179 -5.0179 -4.9036 -4.9036 0.0599 0.0599 1.3553 1.3553 1.4136 1.4136 2.4265 2.4265 2.8250 2.8250 2.8777 2.8777 3.4521 3.4521 3.8002 3.8002 4.0514 4.0514 5.2839 5.2839 5.3605 5.3605 8.5357 8.5357 9.2521 9.2521 9.4115 9.4115 k = 0.4375 0.1961 0.0000 ( 4199 PWs) bands (ev): -21.3345 -21.3345 -21.2565 -21.2565 -12.5666 -12.5666 -11.9962 -11.9962 -6.1041 -6.1041 -5.8604 -5.8604 -5.3031 -5.3031 -5.1740 -5.1740 -5.0226 -5.0226 -4.9030 -4.9030 0.0567 0.0567 1.3542 1.3542 1.4123 1.4123 2.4330 2.4330 2.8270 2.8270 2.8799 2.8799 3.4434 3.4434 3.8001 3.8001 4.0514 4.0514 5.2838 5.2838 5.3603 5.3603 8.5910 8.5910 9.2475 9.2475 9.3553 9.3553 k = 0.4583 0.2054 0.0000 ( 4200 PWs) bands (ev): -21.3342 -21.3342 -21.2568 -21.2568 -12.5672 -12.5672 -11.9955 -11.9955 -6.1018 -6.1018 -5.8620 -5.8620 -5.3001 -5.3001 -5.1744 -5.1744 -5.0262 -5.0262 -4.9027 -4.9027 0.0543 0.0543 1.3534 1.3534 1.4115 1.4115 2.4380 2.4380 2.8285 2.8285 2.8815 2.8815 3.4369 3.4369 3.8000 3.8000 4.0514 4.0514 5.2838 5.2838 5.3602 5.3602 8.6366 8.6366 9.2443 9.2443 9.3094 9.3094 k = 0.4792 0.2147 0.0000 ( 4208 PWs) bands (ev): -21.3340 -21.3340 -21.2569 -21.2569 -12.5676 -12.5676 -11.9951 -11.9951 -6.1004 -6.1004 -5.8630 -5.8630 -5.2982 -5.2982 -5.1746 -5.1746 -5.0283 -5.0283 -4.9024 -4.9024 0.0528 0.0528 1.3529 1.3529 1.4109 1.4109 2.4411 2.4411 2.8293 2.8293 2.8824 2.8824 3.4329 3.4329 3.8000 3.8000 4.0513 4.0513 5.2837 5.2837 5.3600 5.3600 8.6673 8.6673 9.2423 9.2423 9.2784 9.2784 k = 0.5000 0.2241 0.0000 ( 4220 PWs) bands (ev): -21.3340 -21.3340 -21.2570 -21.2570 -12.5678 -12.5678 -11.9950 -11.9950 -6.1000 -6.1000 -5.8633 -5.8633 -5.2975 -5.2975 -5.1746 -5.1746 -5.0291 -5.0291 -4.9024 -4.9024 0.0524 0.0524 1.3527 1.3527 1.4107 1.4107 2.4421 2.4421 2.8296 2.8296 2.8828 2.8828 3.4315 3.4315 3.8000 3.8000 4.0513 4.0513 5.2837 5.2837 5.3600 5.3600 8.6783 8.6783 9.2416 9.2416 9.2673 9.2673 k = 0.5000 0.2241 0.0000 ( 4220 PWs) bands (ev): -21.3340 -21.3340 -21.2570 -21.2570 -12.5678 -12.5678 -11.9950 -11.9950 -6.1000 -6.1000 -5.8633 -5.8633 -5.2975 -5.2975 -5.1746 -5.1746 -5.0291 -5.0291 -4.9024 -4.9024 0.0524 0.0524 1.3527 1.3527 1.4107 1.4107 2.4421 2.4421 2.8296 2.8296 2.8828 2.8828 3.4315 3.4315 3.8000 3.8000 4.0513 4.0513 5.2837 5.2837 5.3600 5.3600 8.6783 8.6783 9.2416 9.2416 9.2673 9.2673 k = 0.4934 0.2388 0.0162 ( 4220 PWs) bands (ev): -21.3339 -21.3339 -21.2570 -21.2570 -12.5678 -12.5678 -11.9951 -11.9951 -6.0999 -6.0999 -5.8635 -5.8635 -5.2974 -5.2974 -5.1747 -5.1747 -5.0291 -5.0291 -4.9024 -4.9024 0.0525 0.0525 1.3522 1.3522 1.4102 1.4102 2.4422 2.4422 2.8284 2.8284 2.8815 2.8815 3.4330 3.4330 3.8002 3.8002 4.0513 4.0513 5.2832 5.2832 5.3595 5.3595 8.6814 8.6814 9.2438 9.2438 9.2677 9.2677 k = 0.4868 0.2536 0.0323 ( 4210 PWs) bands (ev): -21.3337 -21.3337 -21.2570 -21.2570 -12.5680 -12.5680 -11.9953 -11.9953 -6.0996 -6.0996 -5.8640 -5.8640 -5.2970 -5.2970 -5.1747 -5.1747 -5.0293 -5.0293 -4.9026 -4.9026 0.0528 0.0528 1.3508 1.3508 1.4087 1.4087 2.4425 2.4425 2.8246 2.8246 2.8777 2.8777 3.4375 3.4375 3.8009 3.8009 4.0512 4.0512 5.2818 5.2818 5.3580 5.3580 8.6906 8.6906 9.2501 9.2501 9.2692 9.2692 k = 0.4802 0.2684 0.0485 ( 4206 PWs) bands (ev): -21.3333 -21.3333 -21.2570 -21.2570 -12.5683 -12.5683 -11.9958 -11.9958 -6.0992 -6.0992 -5.8648 -5.8648 -5.2963 -5.2963 -5.1748 -5.1748 -5.0295 -5.0295 -4.9029 -4.9029 0.0534 0.0534 1.3485 1.3485 1.4062 1.4062 2.4429 2.4429 2.8179 2.8179 2.8718 2.8718 3.4447 3.4447 3.8020 3.8020 4.0510 4.0510 5.2793 5.2793 5.3556 5.3556 8.7059 8.7059 9.2591 9.2591 9.2730 9.2730 k = 0.4735 0.2831 0.0647 ( 4208 PWs) bands (ev): -21.3328 -21.3328 -21.2570 -21.2570 -12.5687 -12.5687 -11.9965 -11.9965 -6.0986 -6.0986 -5.8660 -5.8660 -5.2953 -5.2953 -5.1749 -5.1749 -5.0298 -5.0298 -4.9034 -4.9034 0.0541 0.0541 1.3451 1.3451 1.4028 1.4028 2.4436 2.4436 2.8082 2.8082 2.8645 2.8645 3.4543 3.4543 3.8036 3.8036 4.0508 4.0508 5.2759 5.2759 5.3522 5.3522 8.7271 8.7271 9.2657 9.2657 9.2840 9.2840 k = 0.4669 0.2979 0.0809 ( 4204 PWs) bands (ev): -21.3321 -21.3321 -21.2570 -21.2570 -12.5692 -12.5692 -11.9974 -11.9974 -6.0979 -6.0979 -5.8674 -5.8674 -5.2940 -5.2940 -5.1751 -5.1751 -5.0302 -5.0302 -4.9039 -4.9039 0.0551 0.0551 1.3407 1.3407 1.3985 1.3985 2.4443 2.4443 2.7953 2.7953 2.8563 2.8563 3.4660 3.4660 3.8057 3.8057 4.0505 4.0505 5.2715 5.2715 5.3481 5.3481 8.7541 8.7541 9.2688 9.2688 9.3033 9.3033 k = 0.4603 0.3126 0.0970 ( 4206 PWs) bands (ev): -21.3313 -21.3313 -21.2570 -21.2570 -12.5698 -12.5698 -11.9985 -11.9985 -6.0970 -6.0970 -5.8692 -5.8692 -5.2925 -5.2925 -5.1752 -5.1752 -5.0307 -5.0307 -4.9046 -4.9046 0.0563 0.0563 1.3353 1.3353 1.3935 1.3935 2.4452 2.4452 2.7791 2.7791 2.8476 2.8476 3.4794 3.4794 3.8084 3.8084 4.0503 4.0503 5.2660 5.2660 5.3432 5.3432 8.7867 8.7867 9.2707 9.2707 9.3279 9.3279 k = 0.4537 0.3274 0.1132 ( 4210 PWs) bands (ev): -21.3303 -21.3303 -21.2570 -21.2570 -12.5705 -12.5705 -11.9997 -11.9997 -6.0959 -6.0959 -5.8714 -5.8714 -5.2908 -5.2908 -5.1754 -5.1754 -5.0313 -5.0313 -4.9053 -4.9053 0.0577 0.0577 1.3289 1.3289 1.3880 1.3880 2.4462 2.4462 2.7601 2.7601 2.8384 2.8384 3.4942 3.4942 3.8116 3.8116 4.0499 4.0499 5.2597 5.2597 5.3378 5.3378 8.8246 8.8246 9.2718 9.2718 9.3572 9.3572 k = 0.4471 0.3422 0.1294 ( 4212 PWs) bands (ev): -21.3293 -21.3293 -21.2570 -21.2570 -12.5713 -12.5713 -12.0011 -12.0011 -6.0946 -6.0946 -5.8738 -5.8738 -5.2888 -5.2888 -5.1755 -5.1755 -5.0320 -5.0320 -4.9062 -4.9062 0.0593 0.0593 1.3214 1.3214 1.3818 1.3818 2.4473 2.4473 2.7385 2.7385 2.8289 2.8289 3.5098 3.5098 3.8154 3.8154 4.0497 4.0497 5.2524 5.2524 5.3318 5.3318 8.8675 8.8675 9.2721 9.2721 9.3908 9.3908 k = 0.4405 0.3569 0.1456 ( 4212 PWs) bands (ev): -21.3280 -21.3280 -21.2571 -21.2571 -12.5722 -12.5722 -12.0027 -12.0027 -6.0932 -6.0932 -5.8765 -5.8765 -5.2867 -5.2867 -5.1757 -5.1757 -5.0328 -5.0328 -4.9072 -4.9072 0.0610 0.0610 1.3130 1.3130 1.3753 1.3753 2.4484 2.4484 2.7149 2.7149 2.8188 2.8188 3.5260 3.5260 3.8200 3.8200 4.0495 4.0495 5.2443 5.2443 5.3255 5.3255 8.9152 8.9152 9.2711 9.2711 9.4283 9.4283 k = 0.4339 0.3717 0.1617 ( 4208 PWs) bands (ev): -21.3267 -21.3267 -21.2571 -21.2571 -12.5732 -12.5732 -12.0044 -12.0044 -6.0916 -6.0916 -5.8796 -5.8796 -5.2843 -5.2843 -5.1757 -5.1757 -5.0337 -5.0337 -4.9082 -4.9082 0.0630 0.0630 1.3035 1.3035 1.3685 1.3685 2.4496 2.4496 2.6896 2.6896 2.8082 2.8082 3.5425 3.5425 3.8253 3.8253 4.0494 4.0494 5.2355 5.2355 5.3189 5.3189 8.9672 8.9672 9.2685 9.2685 9.4696 9.4696 k = 0.4272 0.3864 0.1779 ( 4216 PWs) bands (ev): -21.3253 -21.3253 -21.2572 -21.2572 -12.5743 -12.5743 -12.0063 -12.0063 -6.0899 -6.0899 -5.8829 -5.8829 -5.2817 -5.2817 -5.1758 -5.1758 -5.0346 -5.0346 -4.9093 -4.9093 0.0651 0.0651 1.2932 1.2932 1.3615 1.3615 2.4507 2.4507 2.6630 2.6630 2.7971 2.7971 3.5589 3.5589 3.8314 3.8314 4.0495 4.0495 5.2259 5.2259 5.3120 5.3120 9.0232 9.0232 9.2637 9.2637 9.5144 9.5144 k = 0.4206 0.4012 0.1941 ( 4214 PWs) bands (ev): -21.3237 -21.3237 -21.2572 -21.2572 -12.5754 -12.5754 -12.0083 -12.0083 -6.0880 -6.0880 -5.8866 -5.8866 -5.2789 -5.2789 -5.1758 -5.1758 -5.0356 -5.0356 -4.9105 -4.9105 0.0673 0.0673 1.2820 1.2820 1.3543 1.3543 2.4518 2.4518 2.6354 2.6354 2.7855 2.7855 3.5750 3.5750 3.8384 3.8384 4.0498 4.0498 5.2157 5.2157 5.3051 5.3051 9.0828 9.0828 9.2563 9.2563 9.5624 9.5624 k = 0.4140 0.4160 0.2103 ( 4214 PWs) bands (ev): -21.3220 -21.3220 -21.2573 -21.2573 -12.5766 -12.5766 -12.0104 -12.0104 -6.0859 -6.0859 -5.8905 -5.8905 -5.2760 -5.2760 -5.1758 -5.1758 -5.0366 -5.0366 -4.9118 -4.9118 0.0698 0.0698 1.2702 1.2702 1.3469 1.3469 2.4529 2.4529 2.6071 2.6071 2.7733 2.7733 3.5906 3.5906 3.8463 3.8463 4.0503 4.0503 5.2051 5.2051 5.2980 5.2980 9.1453 9.1453 9.2457 9.2457 9.6133 9.6133 k = 0.4074 0.4307 0.2264 ( 4218 PWs) bands (ev): -21.3202 -21.3202 -21.2575 -21.2575 -12.5778 -12.5778 -12.0127 -12.0127 -6.0837 -6.0837 -5.8947 -5.8947 -5.2729 -5.2729 -5.1758 -5.1758 -5.0376 -5.0376 -4.9131 -4.9131 0.0723 0.0723 1.2577 1.2577 1.3394 1.3394 2.4538 2.4538 2.5782 2.5782 2.7607 2.7607 3.6053 3.6053 3.8551 3.8551 4.0513 4.0513 5.1941 5.1941 5.2908 5.2908 9.2085 9.2085 9.2333 9.2333 9.6667 9.6667 k = 0.4008 0.4455 0.2426 ( 4222 PWs) bands (ev): -21.3183 -21.3183 -21.2576 -21.2576 -12.5790 -12.5790 -12.0150 -12.0150 -6.0813 -6.0813 -5.8992 -5.8992 -5.2697 -5.2697 -5.1758 -5.1758 -5.0386 -5.0386 -4.9145 -4.9145 0.0750 0.0750 1.2449 1.2449 1.3319 1.3319 2.4546 2.4546 2.5491 2.5491 2.7477 2.7477 3.6191 3.6191 3.8647 3.8647 4.0529 4.0529 5.1829 5.1829 5.2837 5.2837 9.2104 9.2104 9.2799 9.2799 9.7221 9.7221 k = 0.3942 0.4602 0.2588 ( 4222 PWs) bands (ev): -21.3164 -21.3164 -21.2579 -21.2579 -12.5803 -12.5803 -12.0174 -12.0174 -6.0788 -6.0788 -5.9039 -5.9039 -5.2664 -5.2664 -5.1758 -5.1758 -5.0395 -5.0395 -4.9160 -4.9160 0.0778 0.0778 1.2317 1.2317 1.3244 1.3244 2.4551 2.4551 2.5201 2.5201 2.7344 2.7344 3.6318 3.6318 3.8750 3.8750 4.0551 4.0551 5.1715 5.1715 5.2766 5.2766 9.1871 9.1871 9.3487 9.3487 9.7789 9.7789 k = 0.3876 0.4750 0.2749 ( 4214 PWs) bands (ev): -21.3143 -21.3143 -21.2581 -21.2581 -12.5816 -12.5816 -12.0199 -12.0199 -6.0761 -6.0761 -5.9088 -5.9088 -5.2630 -5.2630 -5.1759 -5.1759 -5.0403 -5.0403 -4.9176 -4.9176 0.0807 0.0807 1.2183 1.2183 1.3169 1.3169 2.4546 2.4546 2.4919 2.4919 2.7208 2.7208 3.6433 3.6433 3.8858 3.8858 4.0583 4.0583 5.1602 5.1602 5.2695 5.2695 9.1586 9.1586 9.4189 9.4189 9.8365 9.8365 k = 0.3809 0.4897 0.2911 ( 4214 PWs) bands (ev): -21.3122 -21.3122 -21.2584 -21.2584 -12.5829 -12.5829 -12.0224 -12.0224 -6.0732 -6.0732 -5.9140 -5.9140 -5.2594 -5.2594 -5.1761 -5.1761 -5.0410 -5.0410 -4.9192 -4.9192 0.0836 0.0836 1.2049 1.2049 1.3094 1.3094 2.4492 2.4492 2.4687 2.4687 2.7070 2.7070 3.6537 3.6537 3.8968 3.8968 4.0625 4.0625 5.1488 5.1488 5.2626 5.2626 9.1251 9.1251 9.4898 9.4898 9.8936 9.8936 k = 0.3743 0.5045 0.3073 ( 4210 PWs) bands (ev): -21.3100 -21.3100 -21.2587 -21.2587 -12.5842 -12.5842 -12.0250 -12.0250 -6.0702 -6.0702 -5.9193 -5.9193 -5.2557 -5.2557 -5.1764 -5.1764 -5.0415 -5.0415 -4.9208 -4.9208 0.0866 0.0866 1.1915 1.1915 1.3020 1.3020 2.4279 2.4279 2.4617 2.4617 2.6930 2.6930 3.6631 3.6631 3.9075 3.9075 4.0681 4.0681 5.1377 5.1377 5.2557 5.2557 9.0872 9.0872 9.5606 9.5606 9.9475 9.9475 k = 0.3677 0.5193 0.3235 ( 4202 PWs) bands (ev): -21.3078 -21.3078 -21.2591 -21.2591 -12.5854 -12.5854 -12.0276 -12.0276 -6.0670 -6.0670 -5.9249 -5.9249 -5.2520 -5.2520 -5.1768 -5.1768 -5.0418 -5.0418 -4.9226 -4.9226 0.0897 0.0897 1.1783 1.1783 1.2947 1.2947 2.4008 2.4008 2.4606 2.4606 2.6791 2.6791 3.6713 3.6713 3.9177 3.9177 4.0753 4.0753 5.1268 5.1268 5.2490 5.2490 9.0453 9.0453 9.6308 9.6308 9.9910 9.9910 k = 0.3611 0.5340 0.3396 ( 4202 PWs) bands (ev): -21.3055 -21.3055 -21.2596 -21.2596 -12.5867 -12.5867 -12.0302 -12.0302 -6.0637 -6.0637 -5.9307 -5.9307 -5.2481 -5.2481 -5.1776 -5.1776 -5.0418 -5.0418 -4.9244 -4.9244 0.0927 0.0927 1.1654 1.1654 1.2876 1.2876 2.3735 2.3735 2.4604 2.4604 2.6652 2.6652 3.6787 3.6787 3.9270 3.9270 4.0842 4.0842 5.1162 5.1162 5.2425 5.2425 9.0001 9.0001 9.6997 9.6997 10.0116 10.0116 k = 0.3545 0.5488 0.3558 ( 4206 PWs) bands (ev): -21.3032 -21.3032 -21.2601 -21.2601 -12.5879 -12.5879 -12.0328 -12.0328 -6.0603 -6.0603 -5.9366 -5.9366 -5.2441 -5.2441 -5.1786 -5.1786 -5.0415 -5.0415 -4.9263 -4.9263 0.0958 0.0958 1.1529 1.1529 1.2807 1.2807 2.3466 2.3466 2.4602 2.4602 2.6515 2.6515 3.6851 3.6851 3.9351 3.9351 4.0948 4.0948 5.1060 5.1060 5.2362 5.2362 8.9523 8.9523 9.7668 9.7668 10.0156 10.0156 k = 0.3479 0.5635 0.3720 ( 4200 PWs) bands (ev): -21.3009 -21.3009 -21.2607 -21.2607 -12.5890 -12.5890 -12.0353 -12.0353 -6.0567 -6.0567 -5.9426 -5.9426 -5.2400 -5.2400 -5.1799 -5.1799 -5.0409 -5.0409 -4.9282 -4.9282 0.0989 0.0989 1.1409 1.1409 1.2741 1.2741 2.3205 2.3205 2.4600 2.4600 2.6379 2.6379 3.6909 3.6909 3.9419 3.9419 4.1072 4.1072 5.0963 5.0963 5.2302 5.2302 8.9028 8.9028 9.8314 9.8314 10.0160 10.0160 k = 0.3413 0.5783 0.3882 ( 4196 PWs) bands (ev): -21.2985 -21.2985 -21.2614 -21.2614 -12.5901 -12.5901 -12.0379 -12.0379 -6.0529 -6.0529 -5.9488 -5.9488 -5.2358 -5.2358 -5.1816 -5.1816 -5.0399 -5.0399 -4.9303 -4.9303 0.1020 0.1020 1.1295 1.1295 1.2677 1.2677 2.2953 2.2953 2.4597 2.4597 2.6247 2.6247 3.6961 3.6961 3.9475 3.9475 4.1209 4.1209 5.0870 5.0870 5.2244 5.2244 8.8523 8.8523 9.8931 9.8931 10.0175 10.0175 k = 0.3346 0.5931 0.4043 ( 4204 PWs) bands (ev): -21.2961 -21.2961 -21.2621 -21.2621 -12.5911 -12.5911 -12.0404 -12.0404 -6.0490 -6.0490 -5.9550 -5.9550 -5.2315 -5.2315 -5.1837 -5.1837 -5.0385 -5.0385 -4.9324 -4.9324 0.1050 0.1050 1.1187 1.1187 1.2617 1.2617 2.2711 2.2711 2.4593 2.4593 2.6118 2.6118 3.7007 3.7007 3.9519 3.9519 4.1357 4.1357 5.0782 5.0782 5.2189 5.2189 8.8014 8.8014 9.9513 9.9513 10.0209 10.0209 k = 0.3280 0.6078 0.4205 ( 4196 PWs) bands (ev): -21.2937 -21.2937 -21.2629 -21.2629 -12.5920 -12.5920 -12.0428 -12.0428 -6.0450 -6.0450 -5.9614 -5.9614 -5.2270 -5.2270 -5.1862 -5.1862 -5.0368 -5.0368 -4.9346 -4.9346 0.1080 0.1080 1.1087 1.1087 1.2561 1.2561 2.2482 2.2482 2.4587 2.4587 2.5994 2.5994 3.7049 3.7049 3.9554 3.9554 4.1513 4.1513 5.0701 5.0701 5.2138 5.2138 8.7508 8.7508 10.0055 10.0055 10.0266 10.0266 k = 0.3214 0.6226 0.4367 ( 4186 PWs) bands (ev): -21.2913 -21.2913 -21.2638 -21.2638 -12.5928 -12.5928 -12.0451 -12.0451 -6.0409 -6.0409 -5.9677 -5.9677 -5.2225 -5.2225 -5.1890 -5.1890 -5.0348 -5.0348 -4.9368 -4.9368 0.1109 0.1109 1.0995 1.0995 1.2508 1.2508 2.2265 2.2265 2.4580 2.4580 2.5876 2.5876 3.7087 3.7087 3.9581 3.9581 4.1673 4.1673 5.0626 5.0626 5.2090 5.2090 8.7010 8.7010 10.0335 10.0335 10.0563 10.0563 k = 0.3148 0.6373 0.4529 ( 4194 PWs) bands (ev): -21.2890 -21.2890 -21.2648 -21.2648 -12.5935 -12.5935 -12.0474 -12.0474 -6.0368 -6.0368 -5.9741 -5.9741 -5.2178 -5.2178 -5.1923 -5.1923 -5.0324 -5.0324 -4.9391 -4.9391 0.1137 0.1137 1.0912 1.0912 1.2461 1.2461 2.2061 2.2061 2.4572 2.4572 2.5763 2.5763 3.7121 3.7121 3.9602 3.9602 4.1832 4.1832 5.0557 5.0557 5.2046 5.2046 8.6524 8.6524 10.0430 10.0430 10.1019 10.1019 k = 0.3082 0.6521 0.4690 ( 4194 PWs) bands (ev): -21.2866 -21.2866 -21.2659 -21.2659 -12.5941 -12.5941 -12.0495 -12.0495 -6.0326 -6.0326 -5.9803 -5.9803 -5.2131 -5.2131 -5.1959 -5.1959 -5.0298 -5.0298 -4.9415 -4.9415 0.1164 0.1164 1.0838 1.0838 1.2418 1.2418 2.1873 2.1873 2.4563 2.4563 2.5657 2.5657 3.7153 3.7153 3.9618 3.9618 4.1989 4.1989 5.0494 5.0494 5.2006 5.2006 8.6054 8.6054 10.0540 10.0540 10.1431 10.1431 k = 0.3016 0.6669 0.4852 ( 4190 PWs) bands (ev): -21.2843 -21.2843 -21.2670 -21.2670 -12.5945 -12.5945 -12.0515 -12.0515 -6.0286 -6.0286 -5.9864 -5.9864 -5.2082 -5.2082 -5.1999 -5.1999 -5.0271 -5.0271 -4.9438 -4.9438 0.1190 0.1190 1.0773 1.0773 1.2381 1.2381 2.1700 2.1700 2.4552 2.4552 2.5559 2.5559 3.7183 3.7183 3.9631 3.9631 4.2140 4.2140 5.0439 5.0439 5.1970 5.1970 8.5604 8.5604 10.0665 10.0665 10.1797 10.1797 k = 0.2950 0.6816 0.5014 ( 4202 PWs) bands (ev): -21.2820 -21.2820 -21.2683 -21.2683 -12.5949 -12.5949 -12.0534 -12.0534 -6.0250 -6.0250 -5.9918 -5.9918 -5.2047 -5.2047 -5.2028 -5.2028 -5.0242 -5.0242 -4.9461 -4.9461 0.1215 0.1215 1.0719 1.0719 1.2348 1.2348 2.1543 2.1543 2.4540 2.4540 2.5468 2.5468 3.7210 3.7210 3.9641 3.9641 4.2282 4.2282 5.0390 5.0390 5.1938 5.1938 8.5176 8.5176 10.0804 10.0804 10.2117 10.2117 k = 0.2883 0.6964 0.5175 ( 4199 PWs) bands (ev): -21.2798 -21.2798 -21.2696 -21.2696 -12.5951 -12.5951 -12.0551 -12.0551 -6.0224 -6.0224 -5.9961 -5.9961 -5.2089 -5.2089 -5.1981 -5.1981 -5.0212 -5.0212 -4.9483 -4.9483 0.1238 0.1238 1.0675 1.0675 1.2322 1.2322 2.1403 2.1403 2.4527 2.4527 2.5385 2.5385 3.7236 3.7236 3.9650 3.9650 4.2413 4.2413 5.0349 5.0349 5.1911 5.1911 8.4772 8.4772 10.0956 10.0956 10.2394 10.2394 k = 0.2817 0.7111 0.5337 ( 4197 PWs) bands (ev): -21.2776 -21.2776 -21.2710 -21.2710 -12.5952 -12.5952 -12.0567 -12.0567 -6.0221 -6.0221 -5.9981 -5.9981 -5.2138 -5.2138 -5.1930 -5.1930 -5.0183 -5.0183 -4.9504 -4.9504 0.1260 0.1260 1.0642 1.0642 1.2302 1.2302 2.1280 2.1280 2.4513 2.4513 2.5312 2.5312 3.7260 3.7260 3.9657 3.9657 4.2533 4.2533 5.0316 5.0316 5.1889 5.1889 8.4394 8.4394 10.1119 10.1119 10.2628 10.2628 k = 0.2751 0.7259 0.5499 ( 4183 PWs) bands (ev): -21.2754 -21.2754 -21.2725 -21.2725 -12.5951 -12.5951 -12.0582 -12.0582 -6.0246 -6.0246 -5.9970 -5.9970 -5.2189 -5.2189 -5.1878 -5.1878 -5.0155 -5.0155 -4.9523 -4.9523 0.1280 0.1280 1.0620 1.0620 1.2288 1.2288 2.1176 2.1176 2.4498 2.4498 2.5248 2.5248 3.7284 3.7284 3.9664 3.9664 4.2639 4.2639 5.0289 5.0289 5.1871 5.1871 8.4044 8.4044 10.1293 10.1293 10.2823 10.2823 k = 0.2751 0.7259 0.5499 ( 4183 PWs) bands (ev): -21.2754 -21.2754 -21.2725 -21.2725 -12.5951 -12.5951 -12.0582 -12.0582 -6.0246 -6.0246 -5.9970 -5.9970 -5.2189 -5.2189 -5.1878 -5.1878 -5.0155 -5.0155 -4.9523 -4.9523 0.1280 0.1280 1.0620 1.0620 1.2288 1.2288 2.1176 2.1176 2.4498 2.4498 2.5248 2.5248 3.7284 3.7284 3.9664 3.9664 4.2639 4.2639 5.0289 5.0289 5.1871 5.1871 8.4044 8.4044 10.1293 10.1293 10.2823 10.2823 k = 0.2539 0.7216 0.5546 ( 4185 PWs) bands (ev): -21.2751 -21.2751 -21.2727 -21.2727 -12.5950 -12.5950 -12.0586 -12.0586 -6.0257 -6.0257 -5.9963 -5.9963 -5.2204 -5.2204 -5.1865 -5.1865 -5.0145 -5.0145 -4.9530 -4.9530 0.1287 0.1287 1.0616 1.0616 1.2286 1.2286 2.1143 2.1143 2.4496 2.4496 2.5231 2.5231 3.7291 3.7291 3.9666 3.9666 4.2667 4.2667 5.0284 5.0284 5.1867 5.1867 8.3947 8.3947 10.1346 10.1346 10.2874 10.2874 k = 0.2328 0.7173 0.5593 ( 4191 PWs) bands (ev): -21.2753 -21.2753 -21.2724 -21.2724 -12.5949 -12.5949 -12.0590 -12.0590 -6.0270 -6.0270 -5.9954 -5.9954 -5.2218 -5.2218 -5.1854 -5.1854 -5.0131 -5.0131 -4.9538 -4.9538 0.1297 0.1297 1.0616 1.0616 1.2284 1.2284 2.1099 2.1099 2.4500 2.4500 2.5213 2.5213 3.7298 3.7298 3.9668 3.9668 4.2695 4.2695 5.0280 5.0280 5.1863 5.1863 8.3853 8.3853 10.1404 10.1404 10.2925 10.2925 k = 0.2116 0.7130 0.5641 ( 4192 PWs) bands (ev): -21.2757 -21.2757 -21.2718 -21.2718 -12.5948 -12.5948 -12.0595 -12.0595 -6.0281 -6.0281 -5.9947 -5.9947 -5.2231 -5.2231 -5.1846 -5.1846 -5.0114 -5.0114 -4.9549 -4.9549 0.1310 0.1310 1.0619 1.0619 1.2283 1.2283 2.1047 2.1047 2.4508 2.4508 2.5196 2.5196 3.7305 3.7305 3.9670 3.9670 4.2721 4.2721 5.0278 5.0278 5.1860 5.1860 8.3764 8.3764 10.1467 10.1467 10.2973 10.2973 k = 0.1905 0.7087 0.5688 ( 4192 PWs) bands (ev): -21.2763 -21.2763 -21.2711 -21.2711 -12.5946 -12.5946 -12.0599 -12.0599 -6.0291 -6.0291 -5.9940 -5.9940 -5.2242 -5.2242 -5.1842 -5.1842 -5.0094 -5.0094 -4.9561 -4.9561 0.1325 0.1325 1.0624 1.0624 1.2283 1.2283 2.0988 2.0988 2.4520 2.4520 2.5180 2.5180 3.7311 3.7311 3.9672 3.9672 4.2746 4.2746 5.0278 5.0278 5.1857 5.1857 8.3682 8.3682 10.1538 10.1538 10.3019 10.3019 k = 0.1693 0.7043 0.5735 ( 4191 PWs) bands (ev): -21.2768 -21.2768 -21.2705 -21.2705 -12.5944 -12.5944 -12.0604 -12.0604 -6.0299 -6.0299 -5.9935 -5.9935 -5.2252 -5.2252 -5.1840 -5.1840 -5.0071 -5.0071 -4.9576 -4.9576 0.1342 0.1342 1.0630 1.0630 1.2284 1.2284 2.0924 2.0924 2.4536 2.4536 2.5165 2.5165 3.7317 3.7317 3.9674 3.9674 4.2770 4.2770 5.0279 5.0279 5.1855 5.1855 8.3608 8.3608 10.1615 10.1615 10.3062 10.3062 k = 0.1481 0.7000 0.5782 ( 4201 PWs) bands (ev): -21.2773 -21.2773 -21.2699 -21.2699 -12.5942 -12.5942 -12.0608 -12.0608 -6.0305 -6.0305 -5.9932 -5.9932 -5.2260 -5.2260 -5.1841 -5.1841 -5.0047 -5.0047 -4.9592 -4.9592 0.1359 0.1359 1.0638 1.0638 1.2285 1.2285 2.0860 2.0860 2.4552 2.4552 2.5151 2.5151 3.7323 3.7323 3.9675 3.9675 4.2791 4.2791 5.0281 5.0281 5.1853 5.1853 8.3543 8.3543 10.1699 10.1699 10.3103 10.3103 k = 0.1270 0.6957 0.5830 ( 4200 PWs) bands (ev): -21.2777 -21.2777 -21.2694 -21.2694 -12.5940 -12.5940 -12.0611 -12.0611 -6.0310 -6.0310 -5.9930 -5.9930 -5.2267 -5.2267 -5.1843 -5.1843 -5.0020 -5.0020 -4.9610 -4.9610 0.1376 0.1376 1.0646 1.0646 1.2286 1.2286 2.0797 2.0797 2.4569 2.4569 2.5138 2.5138 3.7327 3.7327 3.9677 3.9677 4.2810 4.2810 5.0284 5.0284 5.1852 5.1852 8.3487 8.3487 10.1790 10.1790 10.3141 10.3141 k = 0.1058 0.6914 0.5877 ( 4201 PWs) bands (ev): -21.2781 -21.2781 -21.2689 -21.2689 -12.5938 -12.5938 -12.0615 -12.0615 -6.0313 -6.0313 -5.9928 -5.9928 -5.2272 -5.2272 -5.1846 -5.1846 -4.9994 -4.9994 -4.9630 -4.9630 0.1392 0.1392 1.0655 1.0655 1.2288 1.2288 2.0738 2.0738 2.4585 2.4585 2.5127 2.5127 3.7331 3.7331 3.9678 3.9678 4.2826 4.2826 5.0287 5.0287 5.1851 5.1851 8.3440 8.3440 10.1883 10.1883 10.3178 10.3178 k = 0.0846 0.6871 0.5924 ( 4199 PWs) bands (ev): -21.2784 -21.2784 -21.2685 -21.2685 -12.5937 -12.5937 -12.0618 -12.0618 -6.0315 -6.0315 -5.9928 -5.9928 -5.2275 -5.2275 -5.1850 -5.1850 -4.9968 -4.9968 -4.9649 -4.9649 0.1407 0.1407 1.0663 1.0663 1.2289 1.2289 2.0686 2.0686 2.4600 2.4600 2.5117 2.5117 3.7335 3.7335 3.9679 3.9679 4.2840 4.2840 5.0290 5.0290 5.1850 5.1850 8.3402 8.3402 10.1975 10.1975 10.3214 10.3214 k = 0.0635 0.6828 0.5971 ( 4200 PWs) bands (ev): -21.2786 -21.2786 -21.2682 -21.2682 -12.5935 -12.5935 -12.0620 -12.0620 -6.0316 -6.0316 -5.9928 -5.9928 -5.2278 -5.2278 -5.1853 -5.1853 -4.9943 -4.9943 -4.9668 -4.9668 0.1419 0.1419 1.0670 1.0670 1.2290 1.2290 2.0644 2.0644 2.4612 2.4612 2.5110 2.5110 3.7337 3.7337 3.9680 3.9680 4.2851 4.2851 5.0293 5.0293 5.1849 5.1849 8.3373 8.3373 10.2060 10.2060 10.3250 10.3250 k = 0.0423 0.6785 0.6018 ( 4206 PWs) bands (ev): -21.2788 -21.2788 -21.2680 -21.2680 -12.5934 -12.5934 -12.0622 -12.0622 -6.0317 -6.0317 -5.9929 -5.9929 -5.2280 -5.2280 -5.1856 -5.1856 -4.9922 -4.9922 -4.9685 -4.9685 0.1428 0.1428 1.0675 1.0675 1.2291 1.2291 2.0612 2.0612 2.4621 2.4621 2.5105 2.5105 3.7339 3.7339 3.9680 3.9680 4.2859 4.2859 5.0295 5.0295 5.1849 5.1849 8.3353 8.3353 10.2131 10.2131 10.3285 10.3285 k = 0.0212 0.6742 0.6066 ( 4214 PWs) bands (ev): -21.2789 -21.2789 -21.2679 -21.2679 -12.5934 -12.5934 -12.0623 -12.0623 -6.0317 -6.0317 -5.9929 -5.9929 -5.2281 -5.2281 -5.1858 -5.1858 -4.9908 -4.9908 -4.9697 -4.9697 0.1433 0.1433 1.0678 1.0678 1.2291 1.2291 2.0592 2.0592 2.4627 2.4627 2.5101 2.5101 3.7340 3.7340 3.9680 3.9680 4.2863 4.2863 5.0296 5.0296 5.1849 5.1849 8.3340 8.3340 10.2178 10.2178 10.3313 10.3313 k = 0.0000 0.6699 0.6113 ( 4220 PWs) bands (ev): -21.2790 -21.2790 -21.2679 -21.2679 -12.5934 -12.5934 -12.0623 -12.0623 -6.0317 -6.0317 -5.9929 -5.9929 -5.2281 -5.2281 -5.1858 -5.1858 -4.9903 -4.9903 -4.9701 -4.9701 0.1435 0.1435 1.0679 1.0679 1.2291 1.2291 2.0585 2.0585 2.4629 2.4629 2.5100 2.5100 3.7340 3.7340 3.9680 3.9680 4.2865 4.2865 5.0296 5.0296 5.1848 5.1848 8.3336 8.3336 10.2194 10.2194 10.3324 10.3324 k = 0.0000 0.6699 0.6113 ( 4220 PWs) bands (ev): -21.2790 -21.2790 -21.2679 -21.2679 -12.5934 -12.5934 -12.0623 -12.0623 -6.0317 -6.0317 -5.9929 -5.9929 -5.2281 -5.2281 -5.1858 -5.1858 -4.9903 -4.9903 -4.9701 -4.9701 0.1435 0.1435 1.0679 1.0679 1.2291 1.2291 2.0585 2.0585 2.4629 2.4629 2.5100 2.5100 3.7340 3.7340 3.9680 3.9680 4.2865 4.2865 5.0296 5.0296 5.1848 5.1848 8.3336 8.3336 10.2194 10.2194 10.3324 10.3324 k = 0.0066 0.6552 0.6274 ( 4214 PWs) bands (ev): -21.2789 -21.2789 -21.2678 -21.2678 -12.5933 -12.5933 -12.0622 -12.0622 -6.0319 -6.0319 -5.9931 -5.9931 -5.2290 -5.2290 -5.1855 -5.1855 -4.9917 -4.9917 -4.9696 -4.9696 0.1435 0.1435 1.0684 1.0684 1.2294 1.2294 2.0595 2.0595 2.4629 2.4629 2.5102 2.5102 3.7348 3.7348 3.9681 3.9681 4.2867 4.2867 5.0301 5.0301 5.1850 5.1850 8.3345 8.3345 10.2167 10.2167 10.3333 10.3333 k = 0.0132 0.6405 0.6435 ( 4204 PWs) bands (ev): -21.2788 -21.2788 -21.2677 -21.2677 -12.5930 -12.5930 -12.0619 -12.0619 -6.0324 -6.0324 -5.9938 -5.9938 -5.2314 -5.2314 -5.1847 -5.1847 -4.9957 -4.9957 -4.9684 -4.9684 0.1433 0.1433 1.0702 1.0702 1.2300 1.2300 2.0625 2.0625 2.4631 2.4631 2.5108 2.5108 3.7372 3.7372 3.9682 3.9682 4.2873 4.2873 5.0313 5.0313 5.1856 5.1856 8.3369 8.3369 10.2086 10.2086 10.3359 10.3359 k = 0.0197 0.6258 0.6595 ( 4192 PWs) bands (ev): -21.2787 -21.2787 -21.2676 -21.2676 -12.5926 -12.5926 -12.0615 -12.0615 -6.0334 -6.0334 -5.9950 -5.9950 -5.2352 -5.2352 -5.1836 -5.1836 -5.0014 -5.0014 -4.9672 -4.9672 0.1430 0.1430 1.0730 1.0730 1.2311 1.2311 2.0674 2.0674 2.4634 2.4634 2.5118 2.5118 3.7412 3.7412 3.9685 3.9685 4.2882 4.2882 5.0334 5.0334 5.1864 5.1864 8.3409 8.3409 10.1949 10.1949 10.3402 10.3402 k = 0.0263 0.6112 0.6756 ( 4194 PWs) bands (ev): -21.2785 -21.2785 -21.2674 -21.2674 -12.5920 -12.5920 -12.0608 -12.0608 -6.0347 -6.0347 -5.9965 -5.9965 -5.2402 -5.2402 -5.1824 -5.1824 -5.0084 -5.0084 -4.9665 -4.9665 0.1426 0.1426 1.0769 1.0769 1.2326 1.2326 2.0742 2.0742 2.4639 2.4639 2.5132 2.5132 3.7466 3.7466 3.9688 3.9688 4.2895 4.2895 5.0362 5.0362 5.1876 5.1876 8.3465 8.3465 10.1758 10.1758 10.3464 10.3464 k = 0.0329 0.5965 0.6917 ( 4198 PWs) bands (ev): -21.2782 -21.2782 -21.2671 -21.2671 -12.5913 -12.5913 -12.0600 -12.0600 -6.0365 -6.0365 -5.9986 -5.9986 -5.2460 -5.2460 -5.1813 -5.1813 -5.0165 -5.0165 -4.9664 -4.9664 0.1420 0.1420 1.0819 1.0819 1.2345 1.2345 2.0828 2.0828 2.4644 2.4644 2.5150 2.5150 3.7534 3.7534 3.9693 3.9693 4.2913 4.2913 5.0398 5.0398 5.1892 5.1892 8.3536 8.3536 10.1514 10.1514 10.3539 10.3539 k = 0.0395 0.5818 0.7078 ( 4200 PWs) bands (ev): -21.2779 -21.2779 -21.2668 -21.2668 -12.5904 -12.5904 -12.0590 -12.0590 -6.0386 -6.0386 -6.0011 -6.0011 -5.2526 -5.2526 -5.1804 -5.1804 -5.0255 -5.0255 -4.9671 -4.9671 0.1414 0.1414 1.0879 1.0879 1.2368 1.2368 2.0931 2.0931 2.4651 2.4651 2.5172 2.5172 3.7615 3.7615 3.9701 3.9701 4.2935 4.2935 5.0442 5.0442 5.1910 5.1910 8.3621 8.3621 10.1218 10.1218 10.3528 10.3528 k = 0.0461 0.5671 0.7239 ( 4202 PWs) bands (ev): -21.2775 -21.2775 -21.2664 -21.2664 -12.5894 -12.5894 -12.0579 -12.0579 -6.0410 -6.0410 -6.0040 -6.0040 -5.2598 -5.2598 -5.1798 -5.1798 -5.0353 -5.0353 -4.9685 -4.9685 0.1406 0.1406 1.0949 1.0949 1.2394 1.2394 2.1051 2.1051 2.4659 2.4659 2.5197 2.5197 3.7706 3.7706 3.9711 3.9711 4.2962 4.2962 5.0492 5.0492 5.1931 5.1931 8.3721 8.3721 10.0872 10.0872 10.3401 10.3401 k = 0.0526 0.5524 0.7400 ( 4198 PWs) bands (ev): -21.2771 -21.2771 -21.2660 -21.2660 -12.5882 -12.5882 -12.0566 -12.0566 -6.0439 -6.0439 -6.0074 -6.0074 -5.2675 -5.2675 -5.1795 -5.1795 -5.0458 -5.0458 -4.9706 -4.9706 0.1398 0.1398 1.1027 1.1027 1.2425 1.2425 2.1187 2.1187 2.4668 2.4668 2.5227 2.5227 3.7806 3.7806 3.9726 3.9726 4.2995 4.2995 5.0550 5.0550 5.1956 5.1956 8.3833 8.3833 10.0479 10.0479 10.3252 10.3252 k = 0.0592 0.5378 0.7561 ( 4194 PWs) bands (ev): -21.2766 -21.2766 -21.2655 -21.2655 -12.5869 -12.5869 -12.0551 -12.0551 -6.0471 -6.0471 -6.0112 -6.0112 -5.2756 -5.2756 -5.1795 -5.1795 -5.0569 -5.0569 -4.9734 -4.9734 0.1389 0.1389 1.1114 1.1114 1.2459 1.2459 2.1336 2.1336 2.4679 2.4679 2.5259 2.5259 3.7912 3.7912 3.9746 3.9746 4.3034 4.3034 5.0614 5.0614 5.1984 5.1984 8.3957 8.3957 10.0043 10.0043 10.3088 10.3088 k = 0.0658 0.5231 0.7722 ( 4196 PWs) bands (ev): -21.2761 -21.2761 -21.2650 -21.2650 -12.5854 -12.5854 -12.0535 -12.0535 -6.0507 -6.0507 -6.0154 -6.0154 -5.2839 -5.2839 -5.1798 -5.1798 -5.0687 -5.0687 -4.9769 -4.9769 0.1379 0.1379 1.1208 1.1208 1.2497 1.2497 2.1498 2.1498 2.4691 2.4691 2.5295 2.5295 3.8020 3.8020 3.9773 3.9773 4.3080 4.3080 5.0684 5.0684 5.2014 5.2014 8.4092 8.4092 9.9567 9.9567 10.2910 10.2910 k = 0.0724 0.5084 0.7882 ( 4192 PWs) bands (ev): -21.2755 -21.2755 -21.2644 -21.2644 -12.5839 -12.5839 -12.0518 -12.0518 -6.0547 -6.0547 -6.0200 -6.0200 -5.2925 -5.2925 -5.1805 -5.1805 -5.0809 -5.0809 -4.9810 -4.9810 0.1368 0.1368 1.1308 1.1308 1.2537 1.2537 2.1671 2.1671 2.4704 2.4704 2.5334 2.5334 3.8129 3.8129 3.9808 3.9808 4.3133 4.3133 5.0759 5.0759 5.2047 5.2047 8.4235 8.4235 9.9055 9.9055 10.2724 10.2724 k = 0.0789 0.4937 0.8043 ( 4190 PWs) bands (ev): -21.2749 -21.2749 -21.2638 -21.2638 -12.5822 -12.5822 -12.0500 -12.0500 -6.0590 -6.0590 -6.0251 -6.0251 -5.3012 -5.3012 -5.1814 -5.1814 -5.0934 -5.0934 -4.9857 -4.9857 0.1357 0.1357 1.1414 1.1414 1.2581 1.2581 2.1854 2.1854 2.4720 2.4720 2.5376 2.5376 3.8234 3.8234 3.9853 3.9853 4.3195 4.3195 5.0839 5.0839 5.2083 5.2083 8.4387 8.4387 9.8511 9.8511 10.2531 10.2531 k = 0.0855 0.4790 0.8204 ( 4192 PWs) bands (ev): -21.2742 -21.2742 -21.2632 -21.2632 -12.5804 -12.5804 -12.0480 -12.0480 -6.0636 -6.0636 -6.0305 -6.0305 -5.3099 -5.3099 -5.1827 -5.1827 -5.1063 -5.1063 -4.9909 -4.9909 0.1346 0.1346 1.1525 1.1525 1.2627 1.2627 2.2043 2.2043 2.4737 2.4737 2.5420 2.5420 3.8331 3.8331 3.9910 3.9910 4.3267 4.3267 5.0924 5.0924 5.2120 5.2120 8.4544 8.4544 9.7939 9.7939 10.2338 10.2338 k = 0.0921 0.4644 0.8365 ( 4188 PWs) bands (ev): -21.2736 -21.2736 -21.2625 -21.2625 -12.5786 -12.5786 -12.0460 -12.0460 -6.0685 -6.0685 -6.0362 -6.0362 -5.3187 -5.3187 -5.1842 -5.1842 -5.1194 -5.1194 -4.9965 -4.9965 0.1334 0.1334 1.1639 1.1639 1.2676 1.2676 2.2239 2.2239 2.4757 2.4757 2.5467 2.5467 3.8418 3.8418 3.9979 3.9979 4.3350 4.3350 5.1012 5.1012 5.2161 5.2161 8.4706 8.4706 9.7343 9.7343 10.2148 10.2148 k = 0.0987 0.4497 0.8526 ( 4194 PWs) bands (ev): -21.2729 -21.2729 -21.2618 -21.2618 -12.5767 -12.5767 -12.0439 -12.0439 -6.0738 -6.0738 -6.0422 -6.0422 -5.3274 -5.3274 -5.1861 -5.1861 -5.1326 -5.1326 -5.0025 -5.0025 0.1322 0.1322 1.1756 1.1756 1.2727 1.2727 2.2437 2.2437 2.4779 2.4779 2.5516 2.5516 3.8492 3.8492 4.0059 4.0059 4.3444 4.3444 5.1103 5.1103 5.2203 5.2203 8.4869 8.4869 9.6728 9.6728 10.1967 10.1967 k = 0.1053 0.4350 0.8687 ( 4186 PWs) bands (ev): -21.2722 -21.2722 -21.2611 -21.2611 -12.5747 -12.5747 -12.0417 -12.0417 -6.0793 -6.0793 -6.0486 -6.0486 -5.3359 -5.3359 -5.1883 -5.1883 -5.1456 -5.1456 -5.0089 -5.0089 0.1310 0.1310 1.1876 1.1876 1.2780 1.2780 2.2637 2.2637 2.4805 2.4805 2.5567 2.5567 3.8554 3.8554 4.0150 4.0150 4.3552 4.3552 5.1196 5.1196 5.2247 5.2247 8.5032 8.5032 9.6098 9.6098 10.1800 10.1800 k = 0.1118 0.4203 0.8848 ( 4182 PWs) bands (ev): -21.2714 -21.2714 -21.2604 -21.2604 -12.5727 -12.5727 -12.0395 -12.0395 -6.0850 -6.0850 -6.0552 -6.0552 -5.3442 -5.3442 -5.1912 -5.1912 -5.1581 -5.1581 -5.0155 -5.0155 0.1298 0.1298 1.1996 1.1996 1.2834 1.2834 2.2835 2.2835 2.4836 2.4836 2.5619 2.5619 3.8602 3.8602 4.0248 4.0248 4.3673 4.3673 5.1291 5.1291 5.2292 5.2292 8.5192 8.5192 9.5457 9.5457 10.1652 10.1652 k = 0.1184 0.4056 0.9008 ( 4188 PWs) bands (ev): -21.2707 -21.2707 -21.2597 -21.2597 -12.5706 -12.5706 -12.0372 -12.0372 -6.0909 -6.0909 -6.0620 -6.0620 -5.3523 -5.3523 -5.1952 -5.1952 -5.1696 -5.1696 -5.0223 -5.0223 0.1286 0.1286 1.2116 1.2116 1.2889 1.2889 2.3028 2.3028 2.4872 2.4872 2.5673 2.5673 3.8638 3.8638 4.0351 4.0351 4.3809 4.3809 5.1387 5.1387 5.2339 5.2339 8.5348 8.5348 9.4809 9.4809 10.1527 10.1527 k = 0.1250 0.3910 0.9169 ( 4186 PWs) bands (ev): -21.2699 -21.2699 -21.2589 -21.2589 -12.5686 -12.5686 -12.0349 -12.0349 -6.0970 -6.0970 -6.0690 -6.0690 -5.3600 -5.3600 -5.2014 -5.2014 -5.1787 -5.1787 -5.0293 -5.0293 0.1274 0.1274 1.2236 1.2236 1.2945 1.2945 2.3214 2.3214 2.4915 2.4915 2.5727 2.5727 3.8663 3.8663 4.0456 4.0456 4.3960 4.3960 5.1483 5.1483 5.2387 5.2387 8.5496 8.5496 9.4160 9.4160 10.1431 10.1431 k = 0.1316 0.3763 0.9330 ( 4184 PWs) bands (ev): -21.2692 -21.2692 -21.2582 -21.2582 -12.5665 -12.5665 -12.0326 -12.0326 -6.1032 -6.1032 -6.0761 -6.0761 -5.3674 -5.3674 -5.2106 -5.2106 -5.1848 -5.1848 -5.0363 -5.0363 0.1263 0.1263 1.2354 1.2354 1.3001 1.3001 2.3390 2.3390 2.4966 2.4966 2.5782 2.5782 3.8680 3.8680 4.0558 4.0558 4.4125 4.4125 5.1578 5.1578 5.2436 5.2436 8.5636 8.5636 9.3512 9.3512 10.1368 10.1368 k = 0.1382 0.3616 0.9491 ( 4180 PWs) bands (ev): -21.2684 -21.2684 -21.2575 -21.2575 -12.5645 -12.5645 -12.0304 -12.0304 -6.1095 -6.1095 -6.0833 -6.0833 -5.3744 -5.3744 -5.2217 -5.2217 -5.1887 -5.1887 -5.0434 -5.0434 0.1252 0.1252 1.2470 1.2470 1.3058 1.3058 2.3552 2.3552 2.5027 2.5027 2.5837 2.5837 3.8690 3.8690 4.0656 4.0656 4.4304 4.4304 5.1672 5.1672 5.2486 5.2486 8.5764 8.5764 9.2871 9.2871 10.1341 10.1341 k = 0.1447 0.3469 0.9652 ( 4180 PWs) bands (ev): -21.2677 -21.2677 -21.2567 -21.2567 -12.5625 -12.5625 -12.0281 -12.0281 -6.1158 -6.1158 -6.0906 -6.0906 -5.3809 -5.3809 -5.2336 -5.2336 -5.1914 -5.1914 -5.0504 -5.0504 0.1241 0.1241 1.2582 1.2582 1.3114 1.3114 2.3697 2.3697 2.5101 2.5101 2.5892 2.5892 3.8694 3.8694 4.0748 4.0748 4.4494 4.4494 5.1764 5.1764 5.2536 5.2536 8.5880 8.5880 9.2239 9.2239 10.1353 10.1353 k = 0.1513 0.3322 0.9813 ( 4178 PWs) bands (ev): -21.2670 -21.2670 -21.2560 -21.2560 -12.5605 -12.5605 -12.0259 -12.0259 -6.1221 -6.1221 -6.0977 -6.0977 -5.3870 -5.3870 -5.2456 -5.2456 -5.1936 -5.1936 -5.0574 -5.0574 0.1231 0.1231 1.2690 1.2690 1.3170 1.3170 2.3823 2.3823 2.5186 2.5186 2.5946 2.5946 3.8694 3.8694 4.0833 4.0833 4.4695 4.4695 5.1853 5.1853 5.2586 5.2586 8.5982 8.5982 9.1622 9.1622 10.1408 10.1408 k = 0.1579 0.3176 0.9974 ( 4178 PWs) bands (ev): -21.2663 -21.2663 -21.2554 -21.2554 -12.5585 -12.5585 -12.0238 -12.0238 -6.1283 -6.1283 -6.1048 -6.1048 -5.3926 -5.3926 -5.2575 -5.2575 -5.1954 -5.1954 -5.0642 -5.0642 0.1221 0.1221 1.2794 1.2794 1.3224 1.3224 2.3930 2.3930 2.5283 2.5283 2.5999 2.5999 3.8690 3.8690 4.0909 4.0909 4.4903 4.4903 5.1939 5.1939 5.2635 5.2635 8.6070 8.6070 9.1022 9.1022 10.1505 10.1505 k = 0.1645 0.3029 1.0134 ( 4176 PWs) bands (ev): -21.2656 -21.2656 -21.2547 -21.2547 -12.5567 -12.5567 -12.0217 -12.0217 -6.1344 -6.1344 -6.1118 -6.1118 -5.3977 -5.3977 -5.2691 -5.2691 -5.1970 -5.1970 -5.0708 -5.0708 0.1212 0.1212 1.2893 1.2893 1.3277 1.3277 2.4019 2.4019 2.5390 2.5390 2.6052 2.6052 3.8684 3.8684 4.0978 4.0978 4.5116 4.5116 5.2020 5.2020 5.2684 5.2684 8.6144 8.6144 9.0444 9.0444 10.1646 10.1646 k = 0.1711 0.2882 1.0295 ( 4174 PWs) bands (ev): -21.2650 -21.2650 -21.2541 -21.2541 -12.5549 -12.5549 -12.0197 -12.0197 -6.1402 -6.1402 -6.1185 -6.1185 -5.4023 -5.4023 -5.2803 -5.2803 -5.1983 -5.1983 -5.0772 -5.0772 0.1203 0.1203 1.2986 1.2986 1.3329 1.3329 2.4090 2.4090 2.5503 2.5503 2.6102 2.6102 3.8676 3.8676 4.1039 4.1039 4.5330 4.5330 5.2097 5.2097 5.2733 5.2733 8.6203 8.6203 8.9890 8.9890 10.1831 10.1831 k = 0.1776 0.2735 1.0456 ( 4178 PWs) bands (ev): -21.2644 -21.2644 -21.2535 -21.2535 -12.5532 -12.5532 -12.0179 -12.0179 -6.1458 -6.1458 -6.1250 -6.1250 -5.4064 -5.4064 -5.2910 -5.2910 -5.1995 -5.1995 -5.0832 -5.0832 0.1195 0.1195 1.3072 1.3072 1.3378 1.3378 2.4147 2.4147 2.5619 2.5619 2.6151 2.6151 3.8667 3.8667 4.1092 4.1092 4.5542 4.5542 5.2170 5.2170 5.2779 5.2779 8.6249 8.6249 8.9366 8.9366 10.2057 10.2057 k = 0.1842 0.2588 1.0617 ( 4174 PWs) bands (ev): -21.2638 -21.2638 -21.2529 -21.2529 -12.5516 -12.5516 -12.0161 -12.0161 -6.1512 -6.1512 -6.1311 -6.1311 -5.4099 -5.4099 -5.3012 -5.3012 -5.2004 -5.2004 -5.0890 -5.0890 0.1188 0.1188 1.3151 1.3151 1.3425 1.3425 2.4192 2.4192 2.5734 2.5734 2.6198 2.6198 3.8658 3.8658 4.1139 4.1139 4.5750 4.5750 5.2236 5.2236 5.2824 5.2824 8.6282 8.6282 8.8874 8.8874 10.2323 10.2323 k = 0.1908 0.2442 1.0778 ( 4172 PWs) bands (ev): -21.2633 -21.2633 -21.2524 -21.2524 -12.5501 -12.5501 -12.0145 -12.0145 -6.1562 -6.1562 -6.1369 -6.1369 -5.4129 -5.4129 -5.3107 -5.3107 -5.2012 -5.2012 -5.0944 -5.0944 0.1181 0.1181 1.3224 1.3224 1.3470 1.3470 2.4227 2.4227 2.5844 2.5844 2.6243 2.6243 3.8648 3.8648 4.1179 4.1179 4.5949 4.5949 5.2298 5.2298 5.2867 5.2867 8.6305 8.6305 8.8417 8.8417 10.2626 10.2626 k = 0.1974 0.2295 1.0939 ( 4172 PWs) bands (ev): -21.2628 -21.2628 -21.2519 -21.2519 -12.5488 -12.5488 -12.0130 -12.0130 -6.1607 -6.1607 -6.1422 -6.1422 -5.4154 -5.4154 -5.3195 -5.3195 -5.2018 -5.2018 -5.0993 -5.0993 0.1175 0.1175 1.3288 1.3288 1.3512 1.3512 2.4255 2.4255 2.5947 2.5947 2.6286 2.6286 3.8638 3.8638 4.1213 4.1213 4.6137 4.6137 5.2353 5.2353 5.2906 5.2906 8.6318 8.6318 8.7999 8.7999 10.2960 10.2960 k = 0.2039 0.2148 1.1100 ( 4174 PWs) bands (ev): -21.2623 -21.2623 -21.2515 -21.2515 -12.5475 -12.5475 -12.0116 -12.0116 -6.1649 -6.1649 -6.1470 -6.1470 -5.4174 -5.4174 -5.3275 -5.3275 -5.2023 -5.2023 -5.1038 -5.1038 0.1170 0.1170 1.3345 1.3345 1.3551 1.3551 2.4277 2.4277 2.6040 2.6040 2.6328 2.6328 3.8629 3.8629 4.1243 4.1243 4.6310 4.6310 5.2402 5.2402 5.2943 5.2943 8.6324 8.6324 8.7623 8.7623 10.3321 10.3321 k = 0.2105 0.2001 1.1261 ( 4172 PWs) bands (ev): -21.2619 -21.2619 -21.2511 -21.2511 -12.5465 -12.5465 -12.0104 -12.0104 -6.1686 -6.1686 -6.1513 -6.1513 -5.4190 -5.4190 -5.3347 -5.3347 -5.2027 -5.2027 -5.1079 -5.1079 0.1165 0.1165 1.3394 1.3394 1.3586 1.3586 2.4294 2.4294 2.6120 2.6120 2.6367 2.6367 3.8620 3.8620 4.1267 4.1267 4.6467 4.6467 5.2444 5.2444 5.2976 5.2976 8.6322 8.6322 8.7293 8.7293 10.3701 10.3701 k = 0.2171 0.1854 1.1421 ( 4174 PWs) bands (ev): -21.2616 -21.2616 -21.2507 -21.2507 -12.5456 -12.5456 -12.0094 -12.0094 -6.1718 -6.1718 -6.1550 -6.1550 -5.4202 -5.4202 -5.3410 -5.3410 -5.2030 -5.2030 -5.1113 -5.1113 0.1161 0.1161 1.3434 1.3434 1.3617 1.3617 2.4307 2.4307 2.6186 2.6186 2.6405 2.6405 3.8613 3.8613 4.1287 4.1287 4.6604 4.6604 5.2480 5.2480 5.3004 5.3004 8.6315 8.6315 8.7012 8.7012 10.4090 10.4090 k = 0.2237 0.1708 1.1582 ( 4176 PWs) bands (ev): -21.2613 -21.2613 -21.2505 -21.2505 -12.5448 -12.5448 -12.0086 -12.0086 -6.1744 -6.1744 -6.1580 -6.1580 -5.4211 -5.4211 -5.3463 -5.3463 -5.2032 -5.2032 -5.1142 -5.1142 0.1158 0.1158 1.3467 1.3467 1.3643 1.3643 2.4317 2.4317 2.6238 2.6238 2.6441 2.6441 3.8607 3.8607 4.1303 4.1303 4.6719 4.6719 5.2510 5.2510 5.3028 5.3028 8.6302 8.6302 8.6785 8.6785 10.4474 10.4474 k = 0.2303 0.1561 1.1743 ( 4180 PWs) bands (ev): -21.2611 -21.2611 -21.2503 -21.2503 -12.5442 -12.5442 -12.0079 -12.0079 -6.1765 -6.1765 -6.1605 -6.1605 -5.4216 -5.4216 -5.3506 -5.3506 -5.2033 -5.2033 -5.1165 -5.1165 0.1155 0.1155 1.3492 1.3492 1.3664 1.3664 2.4325 2.4325 2.6275 2.6275 2.6472 2.6472 3.8601 3.8601 4.1315 4.1315 4.6811 4.6811 5.2533 5.2533 5.3046 5.3046 8.6280 8.6280 8.6615 8.6615 10.4832 10.4832 k = 0.2368 0.1414 1.1904 ( 4178 PWs) bands (ev): -21.2610 -21.2610 -21.2501 -21.2501 -12.5438 -12.5438 -12.0074 -12.0074 -6.1780 -6.1780 -6.1622 -6.1622 -5.4219 -5.4219 -5.3537 -5.3537 -5.2033 -5.2033 -5.1182 -5.1182 0.1154 0.1154 1.3510 1.3510 1.3679 1.3679 2.4330 2.4330 2.6300 2.6300 2.6497 2.6497 3.8598 3.8598 4.1324 4.1324 4.6878 4.6878 5.2549 5.2549 5.3060 5.3060 8.6249 8.6249 8.6509 8.6509 10.5135 10.5135 k = 0.2434 0.1267 1.2065 ( 4180 PWs) bands (ev): -21.2609 -21.2609 -21.2500 -21.2500 -12.5435 -12.5435 -12.0071 -12.0071 -6.1789 -6.1789 -6.1633 -6.1633 -5.4221 -5.4221 -5.3556 -5.3556 -5.2034 -5.2034 -5.1192 -5.1192 0.1153 0.1153 1.3521 1.3521 1.3689 1.3689 2.4332 2.4332 2.6315 2.6315 2.6512 2.6512 3.8595 3.8595 4.1329 4.1329 4.6918 4.6918 5.2559 5.2559 5.3068 5.3068 8.6217 8.6217 8.6456 8.6456 10.5343 10.5343 k = 0.2500 0.1120 1.2226 ( 4184 PWs) bands (ev): -21.2609 -21.2609 -21.2500 -21.2500 -12.5434 -12.5434 -12.0070 -12.0070 -6.1792 -6.1792 -6.1636 -6.1636 -5.4222 -5.4222 -5.3563 -5.3563 -5.2034 -5.2034 -5.1195 -5.1195 0.1153 0.1153 1.3524 1.3524 1.3692 1.3692 2.4333 2.4333 2.6319 2.6319 2.6517 2.6517 3.8594 3.8594 4.1330 4.1330 4.6932 4.6932 5.2562 5.2562 5.3071 5.3071 8.6204 8.6204 8.6442 8.6442 10.5418 10.5418 k = 0.2500 0.1120 1.2226 ( 4184 PWs) bands (ev): -21.2609 -21.2609 -21.2500 -21.2500 -12.5434 -12.5434 -12.0070 -12.0070 -6.1792 -6.1792 -6.1636 -6.1636 -5.4222 -5.4222 -5.3563 -5.3563 -5.2034 -5.2034 -5.1195 -5.1195 0.1153 0.1153 1.3524 1.3524 1.3692 1.3692 2.4333 2.4333 2.6319 2.6319 2.6517 2.6517 3.8594 3.8594 4.1330 4.1330 4.6932 4.6932 5.2562 5.2562 5.3071 5.3071 8.6204 8.6204 8.6442 8.6442 10.5418 10.5418 k = 0.2679 0.1200 1.2138 ( 4184 PWs) bands (ev): -21.2609 -21.2609 -21.2500 -21.2500 -12.5434 -12.5434 -12.0070 -12.0070 -6.1792 -6.1792 -6.1636 -6.1636 -5.4221 -5.4221 -5.3564 -5.3564 -5.2033 -5.2033 -5.1194 -5.1194 0.1151 0.1151 1.3518 1.3518 1.3697 1.3697 2.4335 2.4335 2.6307 2.6307 2.6528 2.6528 3.8593 3.8593 4.1330 4.1330 4.6929 4.6929 5.2562 5.2562 5.3071 5.3071 8.5888 8.5888 8.6780 8.6780 10.5362 10.5362 k = 0.2857 0.1280 1.2050 ( 4180 PWs) bands (ev): -21.2609 -21.2609 -21.2500 -21.2500 -12.5435 -12.5435 -12.0071 -12.0071 -6.1791 -6.1791 -6.1634 -6.1634 -5.4217 -5.4217 -5.3568 -5.3568 -5.2030 -5.2030 -5.1191 -5.1191 0.1148 0.1148 1.3504 1.3504 1.3709 1.3709 2.4341 2.4341 2.6272 2.6272 2.6559 2.6559 3.8592 3.8592 4.1329 4.1329 4.6923 4.6923 5.2560 5.2560 5.3071 5.3071 8.5505 8.5505 8.7231 8.7231 10.5203 10.5203 k = 0.3036 0.1361 1.1963 ( 4180 PWs) bands (ev): -21.2609 -21.2609 -21.2501 -21.2501 -12.5435 -12.5435 -12.0071 -12.0071 -6.1790 -6.1790 -6.1631 -6.1631 -5.4212 -5.4212 -5.3574 -5.3574 -5.2026 -5.2026 -5.1185 -5.1185 0.1142 0.1142 1.3485 1.3485 1.3724 1.3724 2.4351 2.4351 2.6225 2.6225 2.6599 2.6599 3.8590 3.8590 4.1327 4.1327 4.6911 4.6911 5.2557 5.2557 5.3071 5.3071 8.5145 8.5145 8.7702 8.7702 10.4967 10.4967 k = 0.3214 0.1441 1.1875 ( 4174 PWs) bands (ev): -21.2609 -21.2609 -21.2501 -21.2501 -12.5436 -12.5436 -12.0072 -12.0072 -6.1787 -6.1787 -6.1627 -6.1627 -5.4205 -5.4205 -5.3581 -5.3581 -5.2020 -5.2020 -5.1179 -5.1179 0.1135 0.1135 1.3465 1.3465 1.3739 1.3739 2.4363 2.4363 2.6171 2.6171 2.6641 2.6641 3.8587 3.8587 4.1325 4.1325 4.6896 4.6896 5.2552 5.2552 5.3072 5.3072 8.4813 8.4813 8.8182 8.8182 10.4683 10.4683 k = 0.3393 0.1521 1.1787 ( 4171 PWs) bands (ev): -21.2609 -21.2609 -21.2502 -21.2502 -12.5438 -12.5438 -12.0073 -12.0073 -6.1784 -6.1784 -6.1623 -6.1623 -5.4196 -5.4196 -5.3589 -5.3589 -5.2013 -5.2013 -5.1170 -5.1170 0.1127 0.1127 1.3445 1.3445 1.3753 1.3753 2.4378 2.4378 2.6115 2.6115 2.6683 2.6683 3.8583 3.8583 4.1322 4.1322 4.6876 4.6876 5.2546 5.2546 5.3073 5.3073 8.4513 8.4513 8.8666 8.8666 10.4377 10.4377 k = 0.3571 0.1601 1.1700 ( 4167 PWs) bands (ev): -21.2609 -21.2609 -21.2503 -21.2503 -12.5439 -12.5439 -12.0075 -12.0075 -6.1779 -6.1779 -6.1618 -6.1618 -5.4186 -5.4186 -5.3596 -5.3596 -5.2005 -5.2005 -5.1161 -5.1161 0.1117 0.1117 1.3425 1.3425 1.3765 1.3765 2.4395 2.4395 2.6057 2.6057 2.6724 2.6724 3.8579 3.8579 4.1318 4.1318 4.6851 4.6851 5.2537 5.2537 5.3074 5.3074 8.4246 8.4246 8.9143 8.9143 10.4067 10.4067 k = 0.3750 0.1681 1.1612 ( 4169 PWs) bands (ev): -21.2609 -21.2609 -21.2504 -21.2504 -12.5442 -12.5442 -12.0076 -12.0076 -6.1773 -6.1773 -6.1613 -6.1613 -5.4176 -5.4176 -5.3603 -5.3603 -5.1996 -5.1996 -5.1152 -5.1152 0.1106 0.1106 1.3407 1.3407 1.3773 1.3773 2.4413 2.4413 2.5998 2.5998 2.6762 2.6762 3.8575 3.8575 4.1314 4.1314 4.6822 4.6822 5.2528 5.2528 5.3075 5.3075 8.4015 8.4015 8.9604 8.9604 10.3772 10.3772 k = 0.3929 0.1761 1.1524 ( 4172 PWs) bands (ev): -21.2609 -21.2609 -21.2506 -21.2506 -12.5444 -12.5444 -12.0078 -12.0078 -6.1765 -6.1765 -6.1607 -6.1607 -5.4165 -5.4165 -5.3607 -5.3607 -5.1987 -5.1987 -5.1142 -5.1142 0.1096 0.1096 1.3389 1.3389 1.3779 1.3779 2.4432 2.4432 2.5940 2.5940 2.6796 2.6796 3.8572 3.8572 4.1309 4.1309 4.6789 4.6789 5.2516 5.2516 5.3075 5.3075 8.3819 8.3819 9.0038 9.0038 10.3503 10.3503 k = 0.4107 0.1841 1.1436 ( 4176 PWs) bands (ev): -21.2608 -21.2608 -21.2507 -21.2507 -12.5446 -12.5446 -12.0080 -12.0080 -6.1755 -6.1755 -6.1601 -6.1601 -5.4154 -5.4154 -5.3607 -5.3607 -5.1979 -5.1979 -5.1132 -5.1132 0.1085 0.1085 1.3374 1.3374 1.3780 1.3780 2.4450 2.4450 2.5881 2.5881 2.6826 2.6826 3.8569 3.8569 4.1304 4.1304 4.6752 4.6752 5.2503 5.2503 5.3075 5.3075 8.3661 8.3661 9.0432 9.0432 10.3273 10.3273 k = 0.4286 0.1921 1.1349 ( 4174 PWs) bands (ev): -21.2608 -21.2608 -21.2509 -21.2509 -12.5449 -12.5449 -12.0082 -12.0082 -6.1744 -6.1744 -6.1596 -6.1596 -5.4145 -5.4145 -5.3603 -5.3603 -5.1970 -5.1970 -5.1123 -5.1123 0.1076 0.1076 1.3362 1.3362 1.3777 1.3777 2.4466 2.4466 2.5824 2.5824 2.6852 2.6852 3.8567 3.8567 4.1298 4.1298 4.6712 4.6712 5.2489 5.2489 5.3074 5.3074 8.3541 8.3541 9.0773 9.0773 10.3093 10.3093 k = 0.4464 0.2001 1.1261 ( 4180 PWs) bands (ev): -21.2608 -21.2608 -21.2512 -21.2512 -12.5452 -12.5452 -12.0084 -12.0084 -6.1730 -6.1730 -6.1590 -6.1590 -5.4137 -5.4137 -5.3594 -5.3594 -5.1962 -5.1962 -5.1114 -5.1114 0.1069 0.1069 1.3351 1.3351 1.3770 1.3770 2.4481 2.4481 2.5769 2.5769 2.6872 2.6872 3.8566 3.8566 4.1292 4.1292 4.6667 4.6667 5.2473 5.2473 5.3073 5.3073 8.3461 8.3461 9.1046 9.1046 10.2972 10.2972 k = 0.4643 0.2081 1.1173 ( 4176 PWs) bands (ev): -21.2607 -21.2607 -21.2514 -21.2514 -12.5456 -12.5456 -12.0087 -12.0087 -6.1715 -6.1715 -6.1583 -6.1583 -5.4131 -5.4131 -5.3579 -5.3579 -5.1956 -5.1956 -5.1106 -5.1106 0.1063 0.1063 1.3344 1.3344 1.3758 1.3758 2.4492 2.4492 2.5715 2.5715 2.6887 2.6887 3.8566 3.8566 4.1286 4.1286 4.6620 4.6620 5.2456 5.2456 5.3071 5.3071 8.3419 8.3419 9.1243 9.1243 10.2911 10.2911 k = 0.4821 0.2161 1.1086 ( 4174 PWs) bands (ev): -21.2607 -21.2607 -21.2517 -21.2517 -12.5459 -12.5459 -12.0089 -12.0089 -6.1699 -6.1699 -6.1577 -6.1577 -5.4126 -5.4126 -5.3558 -5.3558 -5.1950 -5.1950 -5.1098 -5.1098 0.1059 0.1059 1.3339 1.3339 1.3742 1.3742 2.4500 2.4500 2.5665 2.5665 2.6897 2.6897 3.8567 3.8567 4.1280 4.1280 4.6569 4.6569 5.2438 5.2438 5.3068 5.3068 8.3418 8.3418 9.1354 9.1354 10.2900 10.2900 k = 0.5000 0.2241 1.0998 ( 4172 PWs) bands (ev): -21.2606 -21.2606 -21.2520 -21.2520 -12.5463 -12.5463 -12.0092 -12.0092 -6.1681 -6.1681 -6.1570 -6.1570 -5.4124 -5.4124 -5.3531 -5.3531 -5.1946 -5.1946 -5.1090 -5.1090 0.1057 0.1057 1.3336 1.3336 1.3721 1.3721 2.4503 2.4503 2.5618 2.5618 2.6901 2.6901 3.8571 3.8571 4.1273 4.1273 4.6514 4.6514 5.2419 5.2419 5.3064 5.3064 8.3457 8.3457 9.1378 9.1378 10.2918 10.2918 k = 0.5000 0.2241 1.0998 ( 4172 PWs) bands (ev): -21.2606 -21.2606 -21.2520 -21.2520 -12.5463 -12.5463 -12.0092 -12.0092 -6.1681 -6.1681 -6.1570 -6.1570 -5.4124 -5.4124 -5.3531 -5.3531 -5.1946 -5.1946 -5.1090 -5.1090 0.1057 0.1057 1.3336 1.3336 1.3721 1.3721 2.4503 2.4503 2.5618 2.5618 2.6901 2.6901 3.8571 3.8571 4.1273 4.1273 4.6514 4.6514 5.2419 5.2419 5.3064 5.3064 8.3457 8.3457 9.1378 9.1378 10.2918 10.2918 k = 0.5000 0.2241 1.0769 ( 4176 PWs) bands (ev): -21.2606 -21.2606 -21.2528 -21.2528 -12.5474 -12.5474 -12.0101 -12.0101 -6.1627 -6.1627 -6.1550 -6.1550 -5.4116 -5.4116 -5.3449 -5.3449 -5.1938 -5.1938 -5.1069 -5.1069 0.1056 0.1056 1.3331 1.3331 1.3656 1.3656 2.4503 2.4503 2.5492 2.5492 2.6906 2.6906 3.8581 3.8581 4.1253 4.1253 4.6356 4.6356 5.2364 5.2364 5.3051 5.3051 8.3625 8.3625 9.1331 9.1331 10.2987 10.2987 k = 0.5000 0.2241 1.0540 ( 4168 PWs) bands (ev): -21.2605 -21.2605 -21.2537 -21.2537 -12.5487 -12.5487 -12.0112 -12.0112 -6.1567 -6.1567 -6.1526 -6.1526 -5.4103 -5.4103 -5.3357 -5.3357 -5.1928 -5.1928 -5.1043 -5.1043 0.1055 0.1055 1.3321 1.3321 1.3585 1.3585 2.4503 2.4503 2.5349 2.5349 2.6911 2.6911 3.8593 3.8593 4.1231 4.1231 4.6174 4.6174 5.2301 5.2301 5.3038 5.3038 8.3821 8.3821 9.1284 9.1284 10.3061 10.3061 k = 0.5000 0.2241 1.0311 ( 4164 PWs) bands (ev): -21.2604 -21.2604 -21.2548 -21.2548 -12.5501 -12.5501 -12.0123 -12.0123 -6.1503 -6.1503 -6.1496 -6.1496 -5.4085 -5.4085 -5.3258 -5.3258 -5.1919 -5.1919 -5.1012 -5.1012 0.1054 0.1054 1.3302 1.3302 1.3515 1.3515 2.4503 2.4503 2.5194 2.5194 2.6918 2.6918 3.8606 3.8606 4.1206 4.1206 4.5969 4.5969 5.2229 5.2229 5.3026 5.3026 8.4045 8.4045 9.1240 9.1240 10.3141 10.3141 k = 0.5000 0.2241 1.0081 ( 4162 PWs) bands (ev): -21.2602 -21.2602 -21.2560 -21.2560 -12.5516 -12.5516 -12.0135 -12.0135 -6.1472 -6.1472 -6.1424 -6.1424 -5.4062 -5.4062 -5.3152 -5.3152 -5.1910 -5.1910 -5.0978 -5.0978 0.1053 0.1053 1.3262 1.3262 1.3457 1.3457 2.4500 2.4500 2.5028 2.5028 2.6926 2.6926 3.8620 3.8620 4.1179 4.1179 4.5743 4.5743 5.2150 5.2150 5.3015 5.3015 8.4297 8.4297 9.1201 9.1201 10.3222 10.3222 k = 0.5000 0.2241 0.9852 ( 4170 PWs) bands (ev): -21.2601 -21.2601 -21.2573 -21.2573 -12.5532 -12.5532 -12.0148 -12.0148 -6.1441 -6.1441 -6.1345 -6.1345 -5.4035 -5.4035 -5.3038 -5.3038 -5.1900 -5.1900 -5.0939 -5.0939 0.1051 0.1051 1.3192 1.3192 1.3422 1.3422 2.4493 2.4493 2.4858 2.4858 2.6935 2.6935 3.8633 3.8633 4.1148 4.1148 4.5497 4.5497 5.2065 5.2065 5.3005 5.3005 8.4577 8.4577 9.1169 9.1169 10.3301 10.3301 k = 0.5000 0.2241 0.9623 ( 4182 PWs) bands (ev): -21.2600 -21.2600 -21.2587 -21.2587 -12.5550 -12.5550 -12.0161 -12.0161 -6.1408 -6.1408 -6.1260 -6.1260 -5.4002 -5.4002 -5.2918 -5.2918 -5.1890 -5.1890 -5.0896 -5.0896 0.1050 0.1050 1.3099 1.3099 1.3405 1.3405 2.4470 2.4470 2.4697 2.4697 2.6946 2.6946 3.8648 3.8648 4.1115 4.1115 4.5234 4.5234 5.1976 5.1976 5.2996 5.2996 8.4884 8.4884 9.1146 9.1146 10.3375 10.3375 k = 0.5000 0.2241 0.9394 ( 4184 PWs) bands (ev): -21.2603 -21.2603 -21.2598 -21.2598 -12.5568 -12.5568 -12.0174 -12.0174 -6.1374 -6.1374 -6.1172 -6.1172 -5.3967 -5.3967 -5.2792 -5.2792 -5.1881 -5.1881 -5.0850 -5.0850 0.1048 0.1048 1.2991 1.2991 1.3397 1.3397 2.4389 2.4389 2.4590 2.4590 2.6959 2.6959 3.8662 3.8662 4.1081 4.1081 4.4954 4.4954 5.1885 5.1885 5.2988 5.2988 8.5218 8.5218 9.1133 9.1133 10.3439 10.3439 k = 0.5000 0.2241 0.9165 ( 4188 PWs) bands (ev): -21.2619 -21.2619 -21.2597 -21.2597 -12.5586 -12.5586 -12.0187 -12.0187 -6.1338 -6.1338 -6.1079 -6.1079 -5.3928 -5.3928 -5.2660 -5.2660 -5.1870 -5.1870 -5.0801 -5.0801 0.1047 0.1047 1.2876 1.2876 1.3394 1.3394 2.4236 2.4236 2.4555 2.4555 2.6973 2.6973 3.8677 3.8677 4.1045 4.1045 4.4660 4.4660 5.1792 5.1792 5.2981 5.2981 8.5579 8.5579 9.1130 9.1130 10.3486 10.3486 k = 0.5000 0.2241 0.8936 ( 4196 PWs) bands (ev): -21.2637 -21.2637 -21.2595 -21.2595 -12.5605 -12.5605 -12.0200 -12.0200 -6.1302 -6.1302 -6.0985 -6.0985 -5.3886 -5.3886 -5.2525 -5.2525 -5.1858 -5.1858 -5.0750 -5.0750 0.1045 0.1045 1.2756 1.2756 1.3394 1.3394 2.4062 2.4062 2.4544 2.4544 2.6989 2.6989 3.8690 3.8690 4.1007 4.1007 4.4354 4.4354 5.1699 5.1699 5.2975 5.2975 8.5966 8.5966 9.1137 9.1137 10.3511 10.3511 k = 0.5000 0.2241 0.8707 ( 4188 PWs) bands (ev): -21.2656 -21.2656 -21.2594 -21.2594 -12.5623 -12.5623 -12.0213 -12.0213 -6.1265 -6.1265 -6.0888 -6.0888 -5.3843 -5.3843 -5.2385 -5.2385 -5.1845 -5.1845 -5.0697 -5.0697 0.1043 0.1043 1.2634 1.2634 1.3396 1.3396 2.3886 2.3886 2.4540 2.4540 2.7007 2.7007 3.8704 3.8704 4.0969 4.0969 4.4037 4.4037 5.1608 5.1608 5.2971 5.2971 8.6379 8.6379 9.1156 9.1156 10.3507 10.3507 k = 0.5000 0.2241 0.8478 ( 4198 PWs) bands (ev): -21.2675 -21.2675 -21.2592 -21.2592 -12.5642 -12.5642 -12.0225 -12.0225 -6.1227 -6.1227 -6.0789 -6.0789 -5.3798 -5.3798 -5.2244 -5.2244 -5.1828 -5.1828 -5.0644 -5.0644 0.1041 0.1041 1.2512 1.2512 1.3399 1.3399 2.3715 2.3715 2.4538 2.4538 2.7027 2.7027 3.8716 3.8716 4.0929 4.0929 4.3711 4.3711 5.1520 5.1520 5.2967 5.2967 8.6818 8.6818 9.1187 9.1187 10.3468 10.3468 k = 0.5000 0.2241 0.8248 ( 4198 PWs) bands (ev): -21.2695 -21.2695 -21.2591 -21.2591 -12.5660 -12.5660 -12.0236 -12.0236 -6.1190 -6.1190 -6.0690 -6.0690 -5.3753 -5.3753 -5.2105 -5.2105 -5.1805 -5.1805 -5.0590 -5.0590 0.1039 0.1039 1.2392 1.2392 1.3403 1.3403 2.3555 2.3555 2.4537 2.4537 2.7048 2.7048 3.8727 3.8727 4.0889 4.0889 4.3378 4.3378 5.1436 5.1436 5.2964 5.2964 8.7282 8.7282 9.1228 9.1228 10.3387 10.3387 k = 0.5000 0.2241 0.8019 ( 4194 PWs) bands (ev): -21.2716 -21.2716 -21.2589 -21.2589 -12.5678 -12.5678 -12.0246 -12.0246 -6.1154 -6.1154 -6.0591 -6.0591 -5.3707 -5.3707 -5.1978 -5.1978 -5.1767 -5.1767 -5.0537 -5.0537 0.1035 0.1035 1.2276 1.2276 1.3408 1.3408 2.3408 2.3408 2.4537 2.4537 2.7073 2.7073 3.8737 3.8737 4.0849 4.0849 4.3039 4.3039 5.1357 5.1357 5.2963 5.2963 8.7771 8.7771 9.1279 9.1279 10.3259 10.3259 k = 0.5000 0.2241 0.7790 ( 4186 PWs) bands (ev): -21.2738 -21.2738 -21.2587 -21.2587 -12.5695 -12.5695 -12.0255 -12.0255 -6.1118 -6.1118 -6.0491 -6.0491 -5.3661 -5.3661 -5.1883 -5.1883 -5.1694 -5.1694 -5.0485 -5.0485 0.1032 0.1032 1.2164 1.2164 1.3415 1.3415 2.3277 2.3277 2.4538 2.4538 2.7099 2.7099 3.8746 3.8746 4.0808 4.0808 4.2696 4.2696 5.1285 5.1285 5.2962 5.2962 8.8284 8.8284 9.1340 9.1340 10.3079 10.3079 k = 0.5000 0.2241 0.7561 ( 4194 PWs) bands (ev): -21.2761 -21.2761 -21.2586 -21.2586 -12.5711 -12.5711 -12.0263 -12.0263 -6.1084 -6.1084 -6.0393 -6.0393 -5.3615 -5.3615 -5.1830 -5.1830 -5.1578 -5.1578 -5.0433 -5.0433 0.1028 0.1028 1.2059 1.2059 1.3422 1.3422 2.3164 2.3164 2.4538 2.4538 2.7127 2.7127 3.8751 3.8751 4.0768 4.0768 4.2351 4.2351 5.1219 5.1219 5.2962 5.2962 8.8820 8.8820 9.1411 9.1411 10.2846 10.2846 k = 0.5000 0.2241 0.7332 ( 4186 PWs) bands (ev): -21.2784 -21.2784 -21.2584 -21.2584 -12.5726 -12.5726 -12.0269 -12.0269 -6.1051 -6.1051 -6.0295 -6.0295 -5.3570 -5.3570 -5.1797 -5.1797 -5.1443 -5.1443 -5.0383 -5.0383 0.1022 0.1022 1.1962 1.1962 1.3430 1.3430 2.3071 2.3071 2.4539 2.4539 2.7158 2.7158 3.8755 3.8755 4.0727 4.0727 4.2006 4.2006 5.1162 5.1162 5.2964 5.2964 8.9380 8.9380 9.1490 9.1490 10.2557 10.2557 k = 0.5000 0.2241 0.7103 ( 4190 PWs) bands (ev): -21.2807 -21.2807 -21.2583 -21.2583 -12.5740 -12.5740 -12.0273 -12.0273 -6.1020 -6.1020 -6.0199 -6.0199 -5.3525 -5.3525 -5.1769 -5.1769 -5.1305 -5.1305 -5.0334 -5.0334 0.1016 0.1016 1.1875 1.1875 1.3439 1.3439 2.3000 2.3000 2.4540 2.4540 2.7191 2.7191 3.8756 3.8756 4.0685 4.0685 4.1663 4.1663 5.1113 5.1113 5.2967 5.2967 8.9962 8.9962 9.1576 9.1576 10.2214 10.2214 k = 0.5000 0.2241 0.6874 ( 4190 PWs) bands (ev): -21.2831 -21.2831 -21.2582 -21.2582 -12.5753 -12.5753 -12.0276 -12.0276 -6.0991 -6.0991 -6.0105 -6.0105 -5.3482 -5.3482 -5.1744 -5.1744 -5.1170 -5.1170 -5.0284 -5.0284 0.1009 0.1009 1.1799 1.1799 1.3450 1.3450 2.2953 2.2953 2.4542 2.4542 2.7227 2.7227 3.8754 3.8754 4.0639 4.0639 4.1327 4.1327 5.1074 5.1074 5.2970 5.2970 9.0564 9.0564 9.1670 9.1670 10.1818 10.1818 k = 0.5000 0.2241 0.6645 ( 4206 PWs) bands (ev): -21.2855 -21.2855 -21.2580 -21.2580 -12.5765 -12.5765 -12.0277 -12.0277 -6.0965 -6.0965 -6.0012 -6.0012 -5.3439 -5.3439 -5.1719 -5.1719 -5.1042 -5.1042 -5.0234 -5.0234 0.1000 0.1000 1.1734 1.1734 1.3461 1.3461 2.2931 2.2931 2.4543 2.4543 2.7265 2.7265 3.8749 3.8749 4.0577 4.0577 4.1010 4.1010 5.1044 5.1044 5.2975 5.2975 9.1185 9.1185 9.1771 9.1771 10.1374 10.1374 k = 0.5000 0.2241 0.6415 ( 4190 PWs) bands (ev): -21.2880 -21.2880 -21.2579 -21.2579 -12.5774 -12.5774 -12.0277 -12.0277 -6.0941 -6.0941 -5.9922 -5.9922 -5.3396 -5.3396 -5.1695 -5.1695 -5.0925 -5.0925 -5.0180 -5.0180 0.0990 0.0990 1.1682 1.1682 1.3473 1.3473 2.2936 2.2936 2.4545 2.4545 2.7306 2.7306 3.8741 3.8741 4.0450 4.0450 4.0765 4.0765 5.1026 5.1026 5.2981 5.2981 9.1772 9.1772 9.1931 9.1931 10.0886 10.0886 k = 0.5000 0.2241 0.6186 ( 4194 PWs) bands (ev): -21.2904 -21.2904 -21.2578 -21.2578 -12.5783 -12.5783 -12.0274 -12.0274 -6.0920 -6.0920 -5.9834 -5.9834 -5.3355 -5.3355 -5.1672 -5.1672 -5.0821 -5.0821 -5.0121 -5.0121 0.0978 0.0978 1.1645 1.1645 1.3486 1.3486 2.2967 2.2967 2.4546 2.4546 2.7349 2.7349 3.8729 3.8729 4.0198 4.0198 4.0651 4.0651 5.1019 5.1019 5.2989 5.2989 9.1953 9.1953 9.2518 9.2518 10.0357 10.0357 k = 0.5000 0.2241 0.5957 ( 4190 PWs) bands (ev): -21.2929 -21.2929 -21.2577 -21.2577 -12.5789 -12.5789 -12.0270 -12.0270 -6.0901 -6.0901 -5.9749 -5.9749 -5.3314 -5.3314 -5.1650 -5.1650 -5.0733 -5.0733 -5.0055 -5.0055 0.0965 0.0965 1.1622 1.1622 1.3500 1.3500 2.3025 2.3025 2.4548 2.4548 2.7395 2.7395 3.8713 3.8713 3.9891 3.9891 4.0600 4.0600 5.1022 5.1022 5.2998 5.2998 9.2063 9.2063 9.3197 9.3197 9.9794 9.9794 k = 0.5000 0.2241 0.5728 ( 4198 PWs) bands (ev): -21.2954 -21.2954 -21.2576 -21.2576 -12.5795 -12.5795 -12.0264 -12.0264 -6.0886 -6.0886 -5.9666 -5.9666 -5.3274 -5.3274 -5.1631 -5.1631 -5.0661 -5.0661 -4.9983 -4.9983 0.0950 0.0950 1.1614 1.1614 1.3515 1.3515 2.3110 2.3110 2.4549 2.4549 2.7443 2.7443 3.8692 3.8692 3.9576 3.9576 4.0566 4.0566 5.1036 5.1036 5.3007 5.3007 9.2169 9.2169 9.3896 9.3896 9.9200 9.9200 k = 0.5000 0.2241 0.5499 ( 4198 PWs) bands (ev): -21.2979 -21.2979 -21.2575 -21.2575 -12.5798 -12.5798 -12.0256 -12.0256 -6.0873 -6.0873 -5.9586 -5.9586 -5.3235 -5.3235 -5.1613 -5.1613 -5.0605 -5.0605 -4.9905 -4.9905 0.0933 0.0933 1.1622 1.1622 1.3531 1.3531 2.3221 2.3221 2.4551 2.4551 2.7493 2.7493 3.8665 3.8665 3.9265 3.9265 4.0541 4.0541 5.1061 5.1061 5.3019 5.3019 9.2272 9.2272 9.4613 9.4613 9.8582 9.8582 k = 0.5000 0.2241 0.5270 ( 4194 PWs) bands (ev): -21.3003 -21.3003 -21.2574 -21.2574 -12.5800 -12.5800 -12.0246 -12.0246 -6.0864 -6.0864 -5.9509 -5.9509 -5.3197 -5.3197 -5.1600 -5.1600 -5.0563 -5.0563 -4.9823 -4.9823 0.0916 0.0916 1.1645 1.1645 1.3547 1.3547 2.3359 2.3359 2.4552 2.4552 2.7545 2.7545 3.8623 3.8623 3.8970 3.8970 4.0522 4.0522 5.1097 5.1097 5.3031 5.3031 9.2372 9.2372 9.5345 9.5345 9.7943 9.7943 k = 0.5000 0.2241 0.5041 ( 4196 PWs) bands (ev): -21.3027 -21.3027 -21.2573 -21.2573 -12.5801 -12.5801 -12.0235 -12.0235 -6.0857 -6.0857 -5.9435 -5.9435 -5.3159 -5.3159 -5.1590 -5.1590 -5.0530 -5.0530 -4.9740 -4.9740 0.0896 0.0896 1.1684 1.1684 1.3565 1.3565 2.3522 2.3522 2.4552 2.4552 2.7599 2.7599 3.8518 3.8518 3.8739 3.8739 4.0506 4.0506 5.1145 5.1145 5.3044 5.3044 9.2468 9.2468 9.6091 9.6091 9.7288 9.7288 k = 0.5000 0.2241 0.4812 ( 4192 PWs) bands (ev): -21.3051 -21.3051 -21.2572 -21.2572 -12.5800 -12.5800 -12.0223 -12.0223 -6.0852 -6.0852 -5.9364 -5.9364 -5.3123 -5.3123 -5.1584 -5.1584 -5.0505 -5.0505 -4.9659 -4.9659 0.0876 0.0876 1.1737 1.1737 1.3583 1.3583 2.3709 2.3709 2.4553 2.4553 2.7655 2.7655 3.8282 3.8282 3.8644 3.8644 4.0493 4.0493 5.1202 5.1202 5.3059 5.3059 9.2558 9.2558 9.6609 9.6609 9.6861 9.6861 k = 0.5000 0.2241 0.4582 ( 4188 PWs) bands (ev): -21.3074 -21.3074 -21.2572 -21.2572 -12.5798 -12.5798 -12.0209 -12.0209 -6.0851 -6.0851 -5.9296 -5.9296 -5.3089 -5.3089 -5.1584 -5.1584 -5.0485 -5.0485 -4.9581 -4.9581 0.0855 0.0855 1.1805 1.1805 1.3602 1.3602 2.3917 2.3917 2.4553 2.4553 2.7713 2.7713 3.8004 3.8004 3.8595 3.8595 4.0484 4.0484 5.1270 5.1270 5.3075 5.3075 9.2640 9.2640 9.5942 9.5942 9.7621 9.7621 k = 0.5000 0.2241 0.4353 ( 4192 PWs) bands (ev): -21.3097 -21.3097 -21.2571 -21.2571 -12.5794 -12.5794 -12.0194 -12.0194 -6.0852 -6.0852 -5.9232 -5.9232 -5.3056 -5.3056 -5.1587 -5.1587 -5.0467 -5.0467 -4.9507 -4.9507 0.0832 0.0832 1.1886 1.1886 1.3621 1.3621 2.4144 2.4144 2.4555 2.4555 2.7772 2.7772 3.7723 3.7723 3.8554 3.8554 4.0477 4.0477 5.1348 5.1348 5.3092 5.3092 9.2715 9.2715 9.5264 9.5264 9.8397 9.8397 k = 0.5000 0.2241 0.4124 ( 4192 PWs) bands (ev): -21.3119 -21.3119 -21.2571 -21.2571 -12.5790 -12.5790 -12.0178 -12.0178 -6.0855 -6.0855 -5.9171 -5.9171 -5.3025 -5.3025 -5.1596 -5.1596 -5.0452 -5.0452 -4.9439 -4.9439 0.0809 0.0809 1.1979 1.1979 1.3642 1.3642 2.4381 2.4381 2.4563 2.4563 2.7832 2.7832 3.7447 3.7447 3.8515 3.8515 4.0472 4.0472 5.1434 5.1434 5.3111 5.3111 9.2779 9.2779 9.4587 9.4587 9.8897 9.8897 k = 0.5000 0.2241 0.3895 ( 4202 PWs) bands (ev): -21.3141 -21.3141 -21.2570 -21.2570 -12.5784 -12.5784 -12.0161 -12.0161 -6.0860 -6.0860 -5.9112 -5.9112 -5.2997 -5.2997 -5.1608 -5.1608 -5.0437 -5.0437 -4.9378 -4.9378 0.0786 0.0786 1.2083 1.2083 1.3662 1.3662 2.4520 2.4520 2.4685 2.4685 2.7893 2.7893 3.7178 3.7178 3.8474 3.8474 4.0469 4.0469 5.1528 5.1528 5.3130 5.3130 9.2832 9.2832 9.3914 9.3914 9.8263 9.8263 k = 0.5000 0.2241 0.3666 ( 4194 PWs) bands (ev): -21.3162 -21.3162 -21.2570 -21.2570 -12.5777 -12.5777 -12.0144 -12.0144 -6.0867 -6.0867 -5.9058 -5.9058 -5.2972 -5.2972 -5.1623 -5.1623 -5.0423 -5.0423 -4.9322 -4.9322 0.0762 0.0762 1.2196 1.2196 1.3684 1.3684 2.4529 2.4529 2.4949 2.4949 2.7955 2.7955 3.6916 3.6916 3.8434 3.8434 4.0468 4.0468 5.1629 5.1629 5.3151 5.3151 9.2867 9.2867 9.3256 9.3256 9.7648 9.7648 k = 0.5000 0.2241 0.3437 ( 4198 PWs) bands (ev): -21.3182 -21.3182 -21.2570 -21.2570 -12.5770 -12.5770 -12.0126 -12.0126 -6.0875 -6.0875 -5.9006 -5.9006 -5.2950 -5.2950 -5.1641 -5.1641 -5.0409 -5.0409 -4.9273 -4.9273 0.0738 0.0738 1.2316 1.2316 1.3706 1.3706 2.4527 2.4527 2.5235 2.5235 2.8016 2.8016 3.6663 3.6663 3.8394 3.8394 4.0469 4.0469 5.1736 5.1736 5.3173 5.3173 9.2570 9.2570 9.2931 9.2931 9.7057 9.7057 k = 0.5000 0.2241 0.3208 ( 4196 PWs) bands (ev): -21.3201 -21.3201 -21.2570 -21.2570 -12.5762 -12.5762 -12.0108 -12.0108 -6.0884 -6.0884 -5.8958 -5.8958 -5.2933 -5.2933 -5.1659 -5.1659 -5.0395 -5.0395 -4.9229 -4.9229 0.0714 0.0714 1.2441 1.2441 1.3729 1.3729 2.4522 2.4522 2.5530 2.5530 2.8077 2.8077 3.6417 3.6417 3.8353 3.8353 4.0471 4.0471 5.1847 5.1847 5.3196 5.3196 9.1940 9.1940 9.2942 9.2942 9.6494 9.6494 k = 0.5000 0.2241 0.2979 ( 4208 PWs) bands (ev): -21.3219 -21.3219 -21.2570 -21.2570 -12.5754 -12.5754 -12.0091 -12.0091 -6.0895 -6.0895 -5.8913 -5.8913 -5.2920 -5.2920 -5.1677 -5.1677 -5.0381 -5.0381 -4.9192 -4.9192 0.0691 0.0691 1.2569 1.2569 1.3752 1.3752 2.4515 2.4515 2.5829 2.5829 2.8138 2.8138 3.6180 3.6180 3.8313 3.8313 4.0473 4.0473 5.1959 5.1959 5.3221 5.3221 9.1322 9.1322 9.2950 9.2950 9.5960 9.5960 k = 0.5000 0.2241 0.2749 ( 4200 PWs) bands (ev): -21.3236 -21.3236 -21.2570 -21.2570 -12.5745 -12.5745 -12.0073 -12.0073 -6.0906 -6.0906 -5.8872 -5.8872 -5.2911 -5.2911 -5.1694 -5.1694 -5.0368 -5.0368 -4.9159 -4.9159 0.0669 0.0669 1.2698 1.2698 1.3777 1.3777 2.4507 2.4507 2.6130 2.6130 2.8198 2.8198 3.5952 3.5952 3.8274 3.8274 4.0477 4.0477 5.2074 5.2074 5.3248 5.3248 9.0725 9.0725 9.2949 9.2949 9.5458 9.5458 k = 0.5000 0.2241 0.2520 ( 4208 PWs) bands (ev): -21.3252 -21.3252 -21.2570 -21.2570 -12.5736 -12.5736 -12.0056 -12.0056 -6.0917 -6.0917 -5.8834 -5.8834 -5.2906 -5.2906 -5.1709 -5.1709 -5.0356 -5.0356 -4.9132 -4.9132 0.0648 0.0648 1.2824 1.2824 1.3803 1.3803 2.4499 2.4499 2.6429 2.6429 2.8257 2.8257 3.5733 3.5733 3.8236 3.8236 4.0480 4.0480 5.2186 5.2186 5.3276 5.3276 9.0156 9.0156 9.2938 9.2938 9.4990 9.4990 k = 0.5000 0.2241 0.2291 ( 4216 PWs) bands (ev): -21.3267 -21.3267 -21.2570 -21.2570 -12.5728 -12.5728 -12.0039 -12.0039 -6.0929 -6.0929 -5.8799 -5.8799 -5.2906 -5.2906 -5.1722 -5.1722 -5.0344 -5.0344 -4.9108 -4.9108 0.0628 0.0628 1.2946 1.2946 1.3830 1.3830 2.4489 2.4489 2.6721 2.6721 2.8315 2.8315 3.5524 3.5524 3.8199 3.8199 4.0484 4.0484 5.2294 5.2294 5.3307 5.3307 8.9618 8.9618 9.2919 9.2919 9.4556 9.4556 k = 0.5000 0.2241 0.2062 ( 4212 PWs) bands (ev): -21.3280 -21.3280 -21.2570 -21.2570 -12.5720 -12.5720 -12.0024 -12.0024 -6.0940 -6.0940 -5.8767 -5.8767 -5.2909 -5.2909 -5.1732 -5.1732 -5.0333 -5.0333 -4.9089 -4.9089 0.0609 0.0609 1.3060 1.3060 1.3860 1.3860 2.4480 2.4480 2.7003 2.7003 2.8371 2.8371 3.5326 3.5326 3.8164 3.8164 4.0489 4.0489 5.2397 5.2397 5.3340 5.3340 8.9116 8.9116 9.2894 9.2894 9.4159 9.4159 k = 0.5000 0.2241 0.1833 ( 4206 PWs) bands (ev): -21.3292 -21.3292 -21.2570 -21.2570 -12.5712 -12.5712 -12.0009 -12.0009 -6.0951 -6.0951 -5.8739 -5.8739 -5.2916 -5.2916 -5.1739 -5.1739 -5.0324 -5.0324 -4.9073 -4.9073 0.0592 0.0592 1.3164 1.3164 1.3891 1.3891 2.4470 2.4470 2.7269 2.7269 2.8427 2.8427 3.5140 3.5140 3.8132 3.8132 4.0494 4.0494 5.2491 5.2491 5.3376 5.3376 8.8653 8.8653 9.2864 9.2864 9.3800 9.3800 k = 0.5000 0.2241 0.1604 ( 4208 PWs) bands (ev): -21.3303 -21.3303 -21.2570 -21.2570 -12.5704 -12.5704 -11.9996 -11.9996 -6.0962 -6.0962 -5.8714 -5.8714 -5.2924 -5.2924 -5.1744 -5.1744 -5.0316 -5.0316 -4.9060 -4.9060 0.0576 0.0576 1.3256 1.3256 1.3926 1.3926 2.4460 2.4460 2.7515 2.7515 2.8483 2.8483 3.4967 3.4967 3.8103 3.8103 4.0497 4.0497 5.2575 5.2575 5.3414 5.3414 8.8233 8.8233 9.2830 9.2830 9.3481 9.3481 k = 0.5000 0.2241 0.1375 ( 4206 PWs) bands (ev): -21.3313 -21.3313 -21.2570 -21.2570 -12.5698 -12.5698 -11.9984 -11.9984 -6.0971 -6.0971 -5.8693 -5.8693 -5.2934 -5.2934 -5.1747 -5.1747 -5.0309 -5.0309 -4.9049 -4.9049 0.0563 0.0563 1.3334 1.3334 1.3961 1.3961 2.4451 2.4451 2.7733 2.7733 2.8540 2.8540 3.4808 3.4808 3.8077 3.8077 4.0501 4.0501 5.2648 5.2648 5.3452 5.3452 8.7860 8.7860 9.2796 9.2796 9.3201 9.3201 k = 0.5000 0.2241 0.1146 ( 4210 PWs) bands (ev): -21.3321 -21.3321 -21.2570 -21.2570 -12.5692 -12.5692 -11.9974 -11.9974 -6.0980 -6.0980 -5.8675 -5.8675 -5.2945 -5.2945 -5.1748 -5.1748 -5.0303 -5.0303 -4.9041 -4.9041 0.0551 0.0551 1.3397 1.3397 1.3998 1.3998 2.4443 2.4443 2.7919 2.7919 2.8599 2.8599 3.4667 3.4667 3.8054 3.8054 4.0505 4.0505 5.2708 5.2708 5.3490 5.3490 8.7539 8.7539 9.2763 9.2763 9.2963 9.2963 k = 0.5000 0.2241 0.0916 ( 4210 PWs) bands (ev): -21.3328 -21.3328 -21.2570 -21.2570 -12.5687 -12.5687 -11.9965 -11.9965 -6.0987 -6.0987 -5.8660 -5.8660 -5.2955 -5.2955 -5.1748 -5.1748 -5.0298 -5.0298 -4.9034 -4.9034 0.0541 0.0541 1.3447 1.3447 1.4032 1.4032 2.4435 2.4435 2.8067 2.8067 2.8661 2.8661 3.4546 3.4546 3.8035 3.8035 4.0508 4.0508 5.2756 5.2756 5.3526 5.3526 8.7271 8.7271 9.2733 9.2733 9.2767 9.2767 k = 0.5000 0.2241 0.0687 ( 4208 PWs) bands (ev): -21.3333 -21.3333 -21.2570 -21.2570 -12.5683 -12.5683 -11.9958 -11.9958 -6.0992 -6.0992 -5.8648 -5.8648 -5.2963 -5.2963 -5.1748 -5.1748 -5.0295 -5.0295 -4.9029 -4.9029 0.0534 0.0534 1.3483 1.3483 1.4063 1.4063 2.4429 2.4429 2.8174 2.8174 2.8723 2.8723 3.4448 3.4448 3.8020 3.8020 4.0510 4.0510 5.2792 5.2792 5.3557 5.3557 8.7059 8.7059 9.2614 9.2614 9.2708 9.2708 k = 0.5000 0.2241 0.0458 ( 4208 PWs) bands (ev): -21.3337 -21.3337 -21.2570 -21.2570 -12.5680 -12.5680 -11.9953 -11.9953 -6.0996 -6.0996 -5.8640 -5.8640 -5.2970 -5.2970 -5.1747 -5.1747 -5.0293 -5.0293 -4.9026 -4.9026 0.0528 0.0528 1.3508 1.3508 1.4087 1.4087 2.4425 2.4425 2.8245 2.8245 2.8777 2.8777 3.4375 3.4375 3.8009 3.8009 4.0512 4.0512 5.2818 5.2818 5.3580 5.3580 8.6907 8.6907 9.2504 9.2504 9.2689 9.2689 k = 0.5000 0.2241 0.0229 ( 4220 PWs) bands (ev): -21.3339 -21.3339 -21.2570 -21.2570 -12.5678 -12.5678 -11.9951 -11.9951 -6.0999 -6.0999 -5.8635 -5.8635 -5.2974 -5.2974 -5.1747 -5.1747 -5.0291 -5.0291 -4.9024 -4.9024 0.0525 0.0525 1.3522 1.3522 1.4102 1.4102 2.4422 2.4422 2.8284 2.8284 2.8814 2.8814 3.4331 3.4331 3.8002 3.8002 4.0513 4.0513 5.2832 5.2832 5.3595 5.3595 8.6814 8.6814 9.2438 9.2438 9.2677 9.2677 k = 0.5000 0.2241 0.0000 ( 4220 PWs) bands (ev): -21.3340 -21.3340 -21.2570 -21.2570 -12.5678 -12.5678 -11.9950 -11.9950 -6.1000 -6.1000 -5.8633 -5.8633 -5.2975 -5.2975 -5.1746 -5.1746 -5.0291 -5.0291 -4.9024 -4.9024 0.0524 0.0524 1.3527 1.3527 1.4107 1.4107 2.4421 2.4421 2.8296 2.8296 2.8828 2.8828 3.4315 3.4315 3.8000 3.8000 4.0513 4.0513 5.2837 5.2837 5.3600 5.3600 8.6783 8.6783 9.2416 9.2416 9.2673 9.2673 k = 0.0000 0.0000 1.2226 ( 4180 PWs) bands (ev): -21.2609 -21.2609 -21.2500 -21.2500 -12.5435 -12.5435 -12.0069 -12.0069 -6.1816 -6.1816 -6.1621 -6.1621 -5.4113 -5.4113 -5.3768 -5.3768 -5.1971 -5.1971 -5.1140 -5.1140 0.1060 0.1060 1.3352 1.3352 1.3882 1.3882 2.4500 2.4500 2.5938 2.5938 2.6899 2.6899 3.8544 3.8544 4.1322 4.1322 4.6912 4.6912 5.2548 5.2548 5.3111 5.3111 8.3046 8.3046 9.1526 9.1526 10.2716 10.2716 k = 0.0208 0.0093 1.2226 ( 4174 PWs) bands (ev): -21.2609 -21.2609 -21.2500 -21.2500 -12.5435 -12.5435 -12.0069 -12.0069 -6.1816 -6.1816 -6.1622 -6.1622 -5.4116 -5.4116 -5.3763 -5.3763 -5.1972 -5.1972 -5.1141 -5.1141 0.1062 0.1062 1.3354 1.3354 1.3880 1.3880 2.4498 2.4498 2.5942 2.5942 2.6895 2.6895 3.8545 3.8545 4.1322 4.1322 4.6912 4.6912 5.2548 5.2548 5.3110 5.3110 8.3071 8.3071 9.1457 9.1457 10.2793 10.2793 k = 0.0417 0.0187 1.2226 ( 4170 PWs) bands (ev): -21.2609 -21.2609 -21.2500 -21.2500 -12.5435 -12.5435 -12.0069 -12.0069 -6.1815 -6.1815 -6.1622 -6.1622 -5.4124 -5.4124 -5.3751 -5.3751 -5.1974 -5.1974 -5.1144 -5.1144 0.1066 0.1066 1.3360 1.3360 1.3874 1.3874 2.4489 2.4489 2.5953 2.5953 2.6884 2.6884 3.8548 3.8548 4.1322 4.1322 4.6913 4.6913 5.2549 5.2549 5.3109 5.3109 8.3145 8.3145 9.1258 9.1258 10.3001 10.3001 k = 0.0625 0.0280 1.2226 ( 4170 PWs) bands (ev): -21.2609 -21.2609 -21.2500 -21.2500 -12.5435 -12.5435 -12.0069 -12.0069 -6.1813 -6.1813 -6.1623 -6.1623 -5.4135 -5.4135 -5.3732 -5.3732 -5.1979 -5.1979 -5.1149 -5.1149 0.1073 0.1073 1.3370 1.3370 1.3863 1.3863 2.4476 2.4476 2.5972 2.5972 2.6865 2.6865 3.8552 3.8552 4.1323 4.1323 4.6915 4.6915 5.2550 5.2550 5.3106 5.3106 8.3267 8.3267 9.0947 9.0947 10.3243 10.3243 k = 0.0833 0.0373 1.2226 ( 4176 PWs) bands (ev): -21.2609 -21.2609 -21.2500 -21.2500 -12.5435 -12.5435 -12.0069 -12.0069 -6.1810 -6.1810 -6.1625 -6.1625 -5.4149 -5.4149 -5.3709 -5.3709 -5.1985 -5.1985 -5.1154 -5.1154 0.1083 0.1083 1.3383 1.3383 1.3848 1.3848 2.4459 2.4459 2.5998 2.5998 2.6838 2.6838 3.8557 3.8557 4.1324 4.1324 4.6917 4.6917 5.2551 5.2551 5.3102 5.3102 8.3436 8.3436 9.0546 9.0546 10.3469 10.3469 k = 0.1042 0.0467 1.2226 ( 4174 PWs) bands (ev): -21.2609 -21.2609 -21.2500 -21.2500 -12.5435 -12.5435 -12.0070 -12.0070 -6.1808 -6.1808 -6.1626 -6.1626 -5.4163 -5.4163 -5.3683 -5.3683 -5.1992 -5.1992 -5.1161 -5.1161 0.1094 0.1094 1.3399 1.3399 1.3829 1.3829 2.4439 2.4439 2.6031 2.6031 2.6806 2.6806 3.8563 3.8563 4.1325 4.1325 4.6919 4.6919 5.2553 5.2553 5.3097 5.3097 8.3653 8.3653 9.0078 9.0078 10.3720 10.3720 k = 0.1250 0.0560 1.2226 ( 4174 PWs) bands (ev): -21.2609 -21.2609 -21.2500 -21.2500 -12.5435 -12.5435 -12.0070 -12.0070 -6.1804 -6.1804 -6.1628 -6.1628 -5.4177 -5.4177 -5.3657 -5.3657 -5.2000 -5.2000 -5.1168 -5.1168 0.1106 0.1106 1.3418 1.3418 1.3808 1.3808 2.4417 2.4417 2.6070 2.6070 2.6767 2.6767 3.8570 3.8570 4.1326 4.1326 4.6922 4.6922 5.2555 5.2555 5.3092 5.3092 8.3915 8.3915 8.9565 8.9565 10.4003 10.4003 k = 0.1458 0.0654 1.2226 ( 4156 PWs) bands (ev): -21.2609 -21.2609 -21.2500 -21.2500 -12.5434 -12.5434 -12.0070 -12.0070 -6.1801 -6.1801 -6.1630 -6.1630 -5.4190 -5.4190 -5.3632 -5.3632 -5.2008 -5.2008 -5.1175 -5.1175 0.1118 0.1118 1.3440 1.3440 1.3784 1.3784 2.4396 2.4396 2.6113 2.6113 2.6723 2.6723 3.8577 3.8577 4.1328 4.1328 4.6925 4.6925 5.2557 5.2557 5.3088 5.3088 8.4220 8.4220 8.9026 8.9026 10.4311 10.4311 k = 0.1667 0.0747 1.2226 ( 4162 PWs) bands (ev): -21.2609 -21.2609 -21.2500 -21.2500 -12.5434 -12.5434 -12.0070 -12.0070 -6.1798 -6.1798 -6.1632 -6.1632 -5.4201 -5.4201 -5.3609 -5.3609 -5.2016 -5.2016 -5.1182 -5.1182 0.1129 0.1129 1.3462 1.3462 1.3759 1.3759 2.4376 2.4376 2.6161 2.6161 2.6676 2.6676 3.8583 3.8583 4.1329 4.1329 4.6927 4.6927 5.2559 5.2559 5.3083 5.3083 8.4567 8.4567 8.8473 8.8473 10.4626 10.4626 k = 0.1875 0.0840 1.2226 ( 4170 PWs) bands (ev): -21.2609 -21.2609 -21.2500 -21.2500 -12.5434 -12.5434 -12.0070 -12.0070 -6.1796 -6.1796 -6.1634 -6.1634 -5.4210 -5.4210 -5.3589 -5.3589 -5.2023 -5.2023 -5.1187 -5.1187 0.1138 0.1138 1.3485 1.3485 1.3735 1.3735 2.4358 2.4358 2.6211 2.6211 2.6626 2.6626 3.8588 3.8588 4.1330 4.1330 4.6929 4.6929 5.2560 5.2560 5.3078 5.3078 8.4952 8.4952 8.7919 8.7919 10.4926 10.4926 k = 0.2083 0.0934 1.2226 ( 4182 PWs) bands (ev): -21.2609 -21.2609 -21.2500 -21.2500 -12.5434 -12.5434 -12.0070 -12.0070 -6.1794 -6.1794 -6.1635 -6.1635 -5.4216 -5.4216 -5.3575 -5.3575 -5.2029 -5.2029 -5.1192 -5.1192 0.1146 0.1146 1.3505 1.3505 1.3712 1.3712 2.4345 2.4345 2.6259 2.6259 2.6577 2.6577 3.8591 3.8591 4.1330 4.1330 4.6930 4.6930 5.2561 5.2561 5.3074 5.3074 8.5373 8.5373 8.7374 8.7374 10.5181 10.5181 k = 0.2292 0.1027 1.2226 ( 4190 PWs) bands (ev): -21.2609 -21.2609 -21.2500 -21.2500 -12.5434 -12.5434 -12.0070 -12.0070 -6.1792 -6.1792 -6.1636 -6.1636 -5.4220 -5.4220 -5.3566 -5.3566 -5.2033 -5.2033 -5.1194 -5.1194 0.1150 0.1150 1.3520 1.3520 1.3696 1.3696 2.4336 2.4336 2.6300 2.6300 2.6536 2.6536 3.8593 3.8593 4.1330 4.1330 4.6931 4.6931 5.2562 5.2562 5.3072 5.3072 8.5823 8.5823 8.6848 8.6848 10.5356 10.5356 k = 0.2500 0.1120 1.2226 ( 4184 PWs) bands (ev): -21.2609 -21.2609 -21.2500 -21.2500 -12.5434 -12.5434 -12.0070 -12.0070 -6.1792 -6.1792 -6.1636 -6.1636 -5.4222 -5.4222 -5.3563 -5.3563 -5.2034 -5.2034 -5.1195 -5.1195 0.1153 0.1153 1.3524 1.3524 1.3692 1.3692 2.4333 2.4333 2.6319 2.6319 2.6517 2.6517 3.8594 3.8594 4.1330 4.1330 4.6932 4.6932 5.2562 5.2562 5.3071 5.3071 8.6204 8.6204 8.6442 8.6442 10.5418 10.5418 Writing output data file Rb2NiO2.save init_run : 0.37s CPU 0.75s WALL ( 1 calls) electrons : 218.96s CPU 221.58s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 218.95s CPU 221.56s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.08s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.07s WALL ( 330 calls) cegterg : 196.85s CPU 198.83s WALL ( 409 calls) Called by sum_band: Called by *egterg: h_psi : 146.45s CPU 148.28s WALL ( 7266 calls) s_psi : 4.36s CPU 4.31s WALL ( 7266 calls) g_psi : 0.24s CPU 0.23s WALL ( 6527 calls) cdiaghg : 49.91s CPU 50.63s WALL ( 6857 calls) cegterg:over : 5.45s CPU 5.30s WALL ( 6527 calls) cegterg:upda : 5.10s CPU 5.02s WALL ( 6527 calls) cegterg:last : 2.09s CPU 2.12s WALL ( 1069 calls) cdiaghg:chol : 2.74s CPU 2.88s WALL ( 6857 calls) cdiaghg:inve : 1.95s CPU 1.90s WALL ( 6857 calls) cdiaghg:para : 3.13s CPU 3.00s WALL ( 13714 calls) Called by h_psi: h_psi:vloc : 136.15s CPU 137.90s WALL ( 7266 calls) h_psi:vnl : 10.08s CPU 10.16s WALL ( 7266 calls) add_vuspsi : 4.91s CPU 5.03s WALL ( 7266 calls) General routines calbec : 5.15s CPU 5.11s WALL ( 7266 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 125.34s CPU 126.89s WALL ( 718460 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.21s WALL ( 660 calls) Parallel routines fft_scatter : 39.05s CPU 39.65s WALL ( 718483 calls) PWSCF : 3m54.88s CPU 4m16.51s WALL This run was terminated on: 21: 4: 9 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=