Program PWSCF v.5.4.0 starts on 20Mar2017 at 23:37:20 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 & OpenMP), running on 144 processor cores Number of MPI processes: 72 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 72 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: ./Ca2PI.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 34 23 6 851 464 72 Max 35 24 7 857 477 76 Sum 2519 1693 489 61561 33973 5367 bravais-lattice index = 14 lattice parameter (alat) = 14.7475 a.u. unit-cell volume = 803.0040 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 274.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.747457 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.847494 celldm(5)= 0.847494 celldm(6)= 0.847494 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.847494 0.530806 0.000000 ) a(3) = ( 0.847494 0.243494 0.471662 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.596618 -0.972574 ) b(2) = ( 0.000000 1.883929 -0.972574 ) b(3) = ( 0.000000 0.000000 2.120163 ) PseudoPot. # 1 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for I read from file: /users/gautes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1247 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 P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 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 Ca 10.00 40.07800 Ca( 1.00) I 7.00 126.90450 I( 1.00) P 5.00 30.97380 P( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 284 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 2) = ( 0.0116279 -0.0185653 -0.0113090), wk = 0.0035211 k( 3) = ( 0.0232558 -0.0371306 -0.0226180), wk = 0.0035211 k( 4) = ( 0.0348837 -0.0556960 -0.0339270), wk = 0.0035211 k( 5) = ( 0.0465116 -0.0742613 -0.0452360), wk = 0.0035211 k( 6) = ( 0.0581395 -0.0928266 -0.0565450), wk = 0.0035211 k( 7) = ( 0.0697674 -0.1113919 -0.0678540), wk = 0.0035211 k( 8) = ( 0.0813954 -0.1299573 -0.0791630), wk = 0.0035211 k( 9) = ( 0.0930233 -0.1485226 -0.0904720), wk = 0.0035211 k( 10) = ( 0.1046512 -0.1670879 -0.1017810), wk = 0.0035211 k( 11) = ( 0.1162791 -0.1856533 -0.1130900), wk = 0.0035211 k( 12) = ( 0.1279070 -0.2042186 -0.1243990), wk = 0.0035211 k( 13) = ( 0.1395349 -0.2227839 -0.1357080), wk = 0.0035211 k( 14) = ( 0.1511628 -0.2413492 -0.1470170), wk = 0.0035211 k( 15) = ( 0.1627907 -0.2599146 -0.1583260), wk = 0.0035211 k( 16) = ( 0.1744186 -0.2784799 -0.1696350), wk = 0.0035211 k( 17) = ( 0.1860465 -0.2970452 -0.1809440), wk = 0.0035211 k( 18) = ( 0.1976744 -0.3156105 -0.1922530), wk = 0.0035211 k( 19) = ( 0.2093023 -0.3341759 -0.2035620), wk = 0.0035211 k( 20) = ( 0.2209302 -0.3527412 -0.2148710), wk = 0.0035211 k( 21) = ( 0.2325581 -0.3713065 -0.2261800), wk = 0.0035211 k( 22) = ( 0.2441860 -0.3898718 -0.2374890), wk = 0.0035211 k( 23) = ( 0.2558140 -0.4084372 -0.2487980), wk = 0.0035211 k( 24) = ( 0.2674419 -0.4270025 -0.2601070), wk = 0.0035211 k( 25) = ( 0.2790698 -0.4455678 -0.2714160), wk = 0.0035211 k( 26) = ( 0.2906977 -0.4641331 -0.2827250), wk = 0.0035211 k( 27) = ( 0.3023256 -0.4826985 -0.2940340), wk = 0.0035211 k( 28) = ( 0.3139535 -0.5012638 -0.3053430), wk = 0.0035211 k( 29) = ( 0.3255814 -0.5198291 -0.3166520), wk = 0.0035211 k( 30) = ( 0.3372093 -0.5383944 -0.3279610), wk = 0.0035211 k( 31) = ( 0.3488372 -0.5569598 -0.3392700), wk = 0.0035211 k( 32) = ( 0.3604651 -0.5755251 -0.3505790), wk = 0.0035211 k( 33) = ( 0.3720930 -0.5940904 -0.3618880), wk = 0.0035211 k( 34) = ( 0.3837209 -0.6126557 -0.3731970), wk = 0.0035211 k( 35) = ( 0.3953488 -0.6312211 -0.3845060), wk = 0.0035211 k( 36) = ( 0.4069767 -0.6497864 -0.3958150), wk = 0.0035211 k( 37) = ( 0.4186047 -0.6683517 -0.4071240), wk = 0.0035211 k( 38) = ( 0.4302326 -0.6869170 -0.4184330), wk = 0.0035211 k( 39) = ( 0.4418605 -0.7054824 -0.4297420), wk = 0.0035211 k( 40) = ( 0.4534884 -0.7240477 -0.4410510), wk = 0.0035211 k( 41) = ( 0.4651163 -0.7426130 -0.4523600), wk = 0.0035211 k( 42) = ( 0.4767442 -0.7611783 -0.4636690), wk = 0.0035211 k( 43) = ( 0.4883721 -0.7797437 -0.4749780), wk = 0.0035211 k( 44) = ( 0.5000000 -0.7983090 -0.4862870), wk = 0.0035211 k( 45) = ( 0.5000000 -0.7983090 -0.4862870), wk = 0.0035211 k( 46) = ( 0.5000000 -0.7858260 -0.5067797), wk = 0.0035211 k( 47) = ( 0.5000000 -0.7733429 -0.5272723), wk = 0.0035211 k( 48) = ( 0.5000000 -0.7608599 -0.5477649), wk = 0.0035211 k( 49) = ( 0.5000000 -0.7483769 -0.5682576), wk = 0.0035211 k( 50) = ( 0.5000000 -0.7358939 -0.5887503), wk = 0.0035211 k( 51) = ( 0.5000000 -0.7234108 -0.6092429), wk = 0.0035211 k( 52) = ( 0.5000000 -0.7109278 -0.6297356), wk = 0.0035211 k( 53) = ( 0.5000000 -0.6984448 -0.6502282), wk = 0.0035211 k( 54) = ( 0.5000000 -0.6859618 -0.6707209), wk = 0.0035211 k( 55) = ( 0.5000000 -0.6734788 -0.6912135), wk = 0.0035211 k( 56) = ( 0.5000000 -0.6609957 -0.7117062), wk = 0.0035211 k( 57) = ( 0.5000000 -0.6485127 -0.7321988), wk = 0.0035211 k( 58) = ( 0.5000000 -0.6360297 -0.7526915), wk = 0.0035211 k( 59) = ( 0.5000000 -0.6235466 -0.7731841), wk = 0.0035211 k( 60) = ( 0.5000000 -0.6110636 -0.7936768), wk = 0.0035211 k( 61) = ( 0.5000000 -0.5985806 -0.8141694), wk = 0.0035211 k( 62) = ( 0.5000000 -0.5860976 -0.8346621), wk = 0.0035211 k( 63) = ( 0.5000000 -0.5736146 -0.8551547), wk = 0.0035211 k( 64) = ( 0.5000000 -0.5611315 -0.8756474), wk = 0.0035211 k( 65) = ( 0.5000000 -0.5486485 -0.8961400), wk = 0.0035211 k( 66) = ( 0.5000000 -0.5361655 -0.9166327), wk = 0.0035211 k( 67) = ( 0.5000000 -0.5236825 -0.9371253), wk = 0.0035211 k( 68) = ( 0.5000000 -0.5111994 -0.9576180), wk = 0.0035211 k( 69) = ( 0.5000000 -0.4987164 -0.9781107), wk = 0.0035211 k( 70) = ( 0.5000000 -0.4862334 -0.9986033), wk = 0.0035211 k( 71) = ( 0.5000000 -0.4737504 -1.0190959), wk = 0.0035211 k( 72) = ( 0.5000000 -0.4612673 -1.0395886), wk = 0.0035211 k( 73) = ( 0.5000000 -0.4487843 -1.0600813), wk = 0.0035211 k( 74) = ( 0.8144704 -0.3584335 -0.8850667), wk = 0.0035211 k( 75) = ( 0.8076341 -0.3475185 -0.8639238), wk = 0.0035211 k( 76) = ( 0.8007977 -0.3366035 -0.8427809), wk = 0.0035211 k( 77) = ( 0.7939614 -0.3256885 -0.8216380), wk = 0.0035211 k( 78) = ( 0.7871251 -0.3147736 -0.8004951), wk = 0.0035211 k( 79) = ( 0.7802888 -0.3038586 -0.7793522), wk = 0.0035211 k( 80) = ( 0.7734525 -0.2929436 -0.7582092), wk = 0.0035211 k( 81) = ( 0.7666162 -0.2820286 -0.7370663), wk = 0.0035211 k( 82) = ( 0.7597799 -0.2711136 -0.7159234), wk = 0.0035211 k( 83) = ( 0.7529436 -0.2601987 -0.6947805), wk = 0.0035211 k( 84) = ( 0.7461072 -0.2492837 -0.6736376), wk = 0.0035211 k( 85) = ( 0.7392709 -0.2383687 -0.6524947), wk = 0.0035211 k( 86) = ( 0.7324346 -0.2274537 -0.6313518), wk = 0.0035211 k( 87) = ( 0.7255983 -0.2165387 -0.6102089), wk = 0.0035211 k( 88) = ( 0.7187620 -0.2056238 -0.5890660), wk = 0.0035211 k( 89) = ( 0.7119257 -0.1947088 -0.5679230), wk = 0.0035211 k( 90) = ( 0.7050894 -0.1837938 -0.5467801), wk = 0.0035211 k( 91) = ( 0.6982531 -0.1728788 -0.5256372), wk = 0.0035211 k( 92) = ( 0.6914168 -0.1619639 -0.5044943), wk = 0.0035211 k( 93) = ( 0.6845804 -0.1510489 -0.4833514), wk = 0.0035211 k( 94) = ( 0.6777441 -0.1401339 -0.4622085), wk = 0.0035211 k( 95) = ( 0.6709078 -0.1292189 -0.4410656), wk = 0.0035211 k( 96) = ( 0.6640715 -0.1183039 -0.4199227), wk = 0.0035211 k( 97) = ( 0.6572352 -0.1073889 -0.3987797), wk = 0.0035211 k( 98) = ( 0.6503989 -0.0964740 -0.3776368), wk = 0.0035211 k( 99) = ( 0.6435626 -0.0855590 -0.3564939), wk = 0.0035211 k( 100) = ( 0.6367263 -0.0746440 -0.3353510), wk = 0.0035211 k( 101) = ( 0.6298899 -0.0637290 -0.3142081), wk = 0.0035211 k( 102) = ( 0.6230536 -0.0528140 -0.2930652), wk = 0.0035211 k( 103) = ( 0.6162173 -0.0418991 -0.2719223), wk = 0.0035211 k( 104) = ( 0.6093810 -0.0309841 -0.2507793), wk = 0.0035211 k( 105) = ( 0.6025447 -0.0200691 -0.2296364), wk = 0.0035211 k( 106) = ( 0.5957084 -0.0091541 -0.2084935), wk = 0.0035211 k( 107) = ( 0.5888721 0.0017608 -0.1873506), wk = 0.0035211 k( 108) = ( 0.5820357 0.0126758 -0.1662077), wk = 0.0035211 k( 109) = ( 0.5751994 0.0235908 -0.1450648), wk = 0.0035211 k( 110) = ( 0.5683631 0.0345058 -0.1239219), wk = 0.0035211 k( 111) = ( 0.5615268 0.0454208 -0.1027789), wk = 0.0035211 k( 112) = ( 0.5546905 0.0563357 -0.0816360), wk = 0.0035211 k( 113) = ( 0.5478542 0.0672507 -0.0604931), wk = 0.0035211 k( 114) = ( 0.5410179 0.0781657 -0.0393502), wk = 0.0035211 k( 115) = ( 0.5341816 0.0890807 -0.0182073), wk = 0.0035211 k( 116) = ( 0.5273452 0.0999957 0.0029356), wk = 0.0035211 k( 117) = ( 0.5205089 0.1109106 0.0240785), wk = 0.0035211 k( 118) = ( 0.5136726 0.1218256 0.0452215), wk = 0.0035211 k( 119) = ( 0.5068363 0.1327406 0.0663644), wk = 0.0035211 k( 120) = ( 0.5000000 0.1436556 0.0875073), wk = 0.0035211 k( 121) = ( 0.5000000 0.1436556 0.0875073), wk = 0.0035211 k( 122) = ( 0.4772727 0.1371258 0.0835297), wk = 0.0035211 k( 123) = ( 0.4545455 0.1305960 0.0795521), wk = 0.0035211 k( 124) = ( 0.4318182 0.1240662 0.0755745), wk = 0.0035211 k( 125) = ( 0.4090909 0.1175364 0.0715969), wk = 0.0035211 k( 126) = ( 0.3863636 0.1110066 0.0676193), wk = 0.0035211 k( 127) = ( 0.3636364 0.1044768 0.0636416), wk = 0.0035211 k( 128) = ( 0.3409091 0.0979470 0.0596640), wk = 0.0035211 k( 129) = ( 0.3181818 0.0914172 0.0556864), wk = 0.0035211 k( 130) = ( 0.2954545 0.0848874 0.0517088), wk = 0.0035211 k( 131) = ( 0.2727273 0.0783576 0.0477312), wk = 0.0035211 k( 132) = ( 0.2500000 0.0718278 0.0437536), wk = 0.0035211 k( 133) = ( 0.2272727 0.0652980 0.0397760), wk = 0.0035211 k( 134) = ( 0.2045454 0.0587682 0.0357984), wk = 0.0035211 k( 135) = ( 0.1818182 0.0522384 0.0318208), wk = 0.0035211 k( 136) = ( 0.1590909 0.0457086 0.0278432), wk = 0.0035211 k( 137) = ( 0.1363636 0.0391788 0.0238656), wk = 0.0035211 k( 138) = ( 0.1136364 0.0326490 0.0198880), wk = 0.0035211 k( 139) = ( 0.0909091 0.0261192 0.0159104), wk = 0.0035211 k( 140) = ( 0.0681818 0.0195894 0.0119328), wk = 0.0035211 k( 141) = ( 0.0454546 0.0130596 0.0079552), wk = 0.0035211 k( 142) = ( 0.0227273 0.0065298 0.0039776), wk = 0.0035211 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 145) = ( 0.0068553 -0.0109453 -0.0212016), wk = 0.0035211 k( 146) = ( 0.0137106 -0.0218906 -0.0424032), wk = 0.0035211 k( 147) = ( 0.0205659 -0.0328359 -0.0636049), wk = 0.0035211 k( 148) = ( 0.0274212 -0.0437812 -0.0848065), wk = 0.0035211 k( 149) = ( 0.0342765 -0.0547264 -0.1060081), wk = 0.0035211 k( 150) = ( 0.0411318 -0.0656717 -0.1272098), wk = 0.0035211 k( 151) = ( 0.0479871 -0.0766170 -0.1484114), wk = 0.0035211 k( 152) = ( 0.0548424 -0.0875623 -0.1696130), wk = 0.0035211 k( 153) = ( 0.0616977 -0.0985076 -0.1908146), wk = 0.0035211 k( 154) = ( 0.0685530 -0.1094529 -0.2120162), wk = 0.0035211 k( 155) = ( 0.0754083 -0.1203982 -0.2332179), wk = 0.0035211 k( 156) = ( 0.0822636 -0.1313435 -0.2544195), wk = 0.0035211 k( 157) = ( 0.0891188 -0.1422888 -0.2756211), wk = 0.0035211 k( 158) = ( 0.0959741 -0.1532341 -0.2968228), wk = 0.0035211 k( 159) = ( 0.1028294 -0.1641793 -0.3180244), wk = 0.0035211 k( 160) = ( 0.1096847 -0.1751246 -0.3392260), wk = 0.0035211 k( 161) = ( 0.1165400 -0.1860699 -0.3604276), wk = 0.0035211 k( 162) = ( 0.1233953 -0.1970152 -0.3816292), wk = 0.0035211 k( 163) = ( 0.1302506 -0.2079605 -0.4028309), wk = 0.0035211 k( 164) = ( 0.1371059 -0.2189058 -0.4240325), wk = 0.0035211 k( 165) = ( 0.1439612 -0.2298511 -0.4452341), wk = 0.0035211 k( 166) = ( 0.1508165 -0.2407964 -0.4664358), wk = 0.0035211 k( 167) = ( 0.1576718 -0.2517417 -0.4876374), wk = 0.0035211 k( 168) = ( 0.1645271 -0.2626869 -0.5088390), wk = 0.0035211 k( 169) = ( 0.1713824 -0.2736322 -0.5300406), wk = 0.0035211 k( 170) = ( 0.1782377 -0.2845775 -0.5512422), wk = 0.0035211 k( 171) = ( 0.1850930 -0.2955228 -0.5724439), wk = 0.0035211 k( 172) = ( 0.1919483 -0.3064681 -0.5936455), wk = 0.0035211 k( 173) = ( 0.1988036 -0.3174134 -0.6148471), wk = 0.0035211 k( 174) = ( 0.2056589 -0.3283587 -0.6360488), wk = 0.0035211 k( 175) = ( 0.2125142 -0.3393040 -0.6572504), wk = 0.0035211 k( 176) = ( 0.2193695 -0.3502493 -0.6784520), wk = 0.0035211 k( 177) = ( 0.2262248 -0.3611946 -0.6996536), wk = 0.0035211 k( 178) = ( 0.2330801 -0.3721398 -0.7208552), wk = 0.0035211 k( 179) = ( 0.2399354 -0.3830851 -0.7420569), wk = 0.0035211 k( 180) = ( 0.2467907 -0.3940304 -0.7632585), wk = 0.0035211 k( 181) = ( 0.2536460 -0.4049757 -0.7844601), wk = 0.0035211 k( 182) = ( 0.2605013 -0.4159210 -0.8056618), wk = 0.0035211 k( 183) = ( 0.2673566 -0.4268663 -0.8268634), wk = 0.0035211 k( 184) = ( 0.2742118 -0.4378116 -0.8480650), wk = 0.0035211 k( 185) = ( 0.2810671 -0.4487569 -0.8692666), wk = 0.0035211 k( 186) = ( 0.2879224 -0.4597021 -0.8904682), wk = 0.0035211 k( 187) = ( 0.2947777 -0.4706474 -0.9116699), wk = 0.0035211 k( 188) = ( 0.3016330 -0.4815927 -0.9328715), wk = 0.0035211 k( 189) = ( 0.3084883 -0.4925380 -0.9540731), wk = 0.0035211 k( 190) = ( 0.3153436 -0.5034833 -0.9752748), wk = 0.0035211 k( 191) = ( 0.3221989 -0.5144286 -0.9964764), wk = 0.0035211 k( 192) = ( 0.3290542 -0.5253739 -1.0176780), wk = 0.0035211 k( 193) = ( 0.3359095 -0.5363192 -1.0388796), wk = 0.0035211 k( 194) = ( 0.3427648 -0.5472645 -1.0600813), wk = 0.0035211 k( 195) = ( 0.6572352 -0.4036089 -0.9725740), wk = 0.0035211 k( 196) = ( 0.6503989 -0.3798148 -0.9725740), wk = 0.0035211 k( 197) = ( 0.6435626 -0.3560207 -0.9725740), wk = 0.0035211 k( 198) = ( 0.6367263 -0.3322266 -0.9725740), wk = 0.0035211 k( 199) = ( 0.6298899 -0.3084325 -0.9725740), wk = 0.0035211 k( 200) = ( 0.6230536 -0.2846383 -0.9725740), wk = 0.0035211 k( 201) = ( 0.6162173 -0.2608442 -0.9725740), wk = 0.0035211 k( 202) = ( 0.6093810 -0.2370501 -0.9725740), wk = 0.0035211 k( 203) = ( 0.6025447 -0.2132561 -0.9725740), wk = 0.0035211 k( 204) = ( 0.5957084 -0.1894619 -0.9725740), wk = 0.0035211 k( 205) = ( 0.5888721 -0.1656678 -0.9725740), wk = 0.0035211 k( 206) = ( 0.5820357 -0.1418737 -0.9725740), wk = 0.0035211 k( 207) = ( 0.5751994 -0.1180796 -0.9725740), wk = 0.0035211 k( 208) = ( 0.5683631 -0.0942855 -0.9725740), wk = 0.0035211 k( 209) = ( 0.5615268 -0.0704914 -0.9725740), wk = 0.0035211 k( 210) = ( 0.5546905 -0.0466973 -0.9725740), wk = 0.0035211 k( 211) = ( 0.5478542 -0.0229032 -0.9725740), wk = 0.0035211 k( 212) = ( 0.5410179 0.0008909 -0.9725740), wk = 0.0035211 k( 213) = ( 0.5341816 0.0246850 -0.9725740), wk = 0.0035211 k( 214) = ( 0.5273452 0.0484791 -0.9725740), wk = 0.0035211 k( 215) = ( 0.5205089 0.0722732 -0.9725740), wk = 0.0035211 k( 216) = ( 0.5136726 0.0960674 -0.9725740), wk = 0.0035211 k( 217) = ( 0.5068363 0.1198615 -0.9725740), wk = 0.0035211 k( 218) = ( 0.5000000 0.1436556 -0.9725740), wk = 0.0035211 k( 219) = ( 0.5000000 0.1436556 -0.9725740), wk = 0.0035211 k( 220) = ( 0.5196544 0.1493025 -0.9616356), wk = 0.0035211 k( 221) = ( 0.5393088 0.1549494 -0.9506972), wk = 0.0035211 k( 222) = ( 0.5589632 0.1605964 -0.9397588), wk = 0.0035211 k( 223) = ( 0.5786176 0.1662433 -0.9288204), wk = 0.0035211 k( 224) = ( 0.5982720 0.1718902 -0.9178820), wk = 0.0035211 k( 225) = ( 0.6179264 0.1775371 -0.9069436), wk = 0.0035211 k( 226) = ( 0.6375808 0.1831841 -0.8960051), wk = 0.0035211 k( 227) = ( 0.6572352 0.1888310 -0.8850667), wk = 0.0035211 k( 228) = ( 0.6572352 0.1888310 -0.8850667), wk = 0.0035211 k( 229) = ( 0.6533043 0.1877016 -0.8607524), wk = 0.0035211 k( 230) = ( 0.6493734 0.1865722 -0.8364380), wk = 0.0035211 k( 231) = ( 0.6454425 0.1854428 -0.8121237), wk = 0.0035211 k( 232) = ( 0.6415117 0.1843135 -0.7878093), wk = 0.0035211 k( 233) = ( 0.6375808 0.1831841 -0.7634950), wk = 0.0035211 k( 234) = ( 0.6336499 0.1820547 -0.7391806), wk = 0.0035211 k( 235) = ( 0.6297190 0.1809253 -0.7148663), wk = 0.0035211 k( 236) = ( 0.6257881 0.1797959 -0.6905519), wk = 0.0035211 k( 237) = ( 0.6218573 0.1786665 -0.6662376), wk = 0.0035211 k( 238) = ( 0.6179264 0.1775371 -0.6419232), wk = 0.0035211 k( 239) = ( 0.6139955 0.1764078 -0.6176089), wk = 0.0035211 k( 240) = ( 0.6100646 0.1752784 -0.5932945), wk = 0.0035211 k( 241) = ( 0.6061338 0.1741490 -0.5689802), wk = 0.0035211 k( 242) = ( 0.6022029 0.1730196 -0.5446658), wk = 0.0035211 k( 243) = ( 0.5982720 0.1718902 -0.5203515), wk = 0.0035211 k( 244) = ( 0.5943411 0.1707608 -0.4960371), wk = 0.0035211 k( 245) = ( 0.5904102 0.1696314 -0.4717228), wk = 0.0035211 k( 246) = ( 0.5864793 0.1685021 -0.4474084), wk = 0.0035211 k( 247) = ( 0.5825485 0.1673727 -0.4230941), wk = 0.0035211 k( 248) = ( 0.5786176 0.1662433 -0.3987797), wk = 0.0035211 k( 249) = ( 0.5746867 0.1651139 -0.3744654), wk = 0.0035211 k( 250) = ( 0.5707558 0.1639845 -0.3501510), wk = 0.0035211 k( 251) = ( 0.5668249 0.1628551 -0.3258367), wk = 0.0035211 k( 252) = ( 0.5628941 0.1617257 -0.3015223), wk = 0.0035211 k( 253) = ( 0.5589632 0.1605964 -0.2772080), wk = 0.0035211 k( 254) = ( 0.5550323 0.1594670 -0.2528936), wk = 0.0035211 k( 255) = ( 0.5511014 0.1583376 -0.2285793), wk = 0.0035211 k( 256) = ( 0.5471706 0.1572082 -0.2042649), wk = 0.0035211 k( 257) = ( 0.5432397 0.1560788 -0.1799506), wk = 0.0035211 k( 258) = ( 0.5393088 0.1549494 -0.1556362), wk = 0.0035211 k( 259) = ( 0.5353779 0.1538200 -0.1313219), wk = 0.0035211 k( 260) = ( 0.5314470 0.1526907 -0.1070075), wk = 0.0035211 k( 261) = ( 0.5275162 0.1515613 -0.0826932), wk = 0.0035211 k( 262) = ( 0.5235853 0.1504319 -0.0583788), wk = 0.0035211 k( 263) = ( 0.5196544 0.1493025 -0.0340645), wk = 0.0035211 k( 264) = ( 0.5157235 0.1481731 -0.0097501), wk = 0.0035211 k( 265) = ( 0.5117926 0.1470437 0.0145642), wk = 0.0035211 k( 266) = ( 0.5078618 0.1459143 0.0388786), wk = 0.0035211 k( 267) = ( 0.5039309 0.1447850 0.0631929), wk = 0.0035211 k( 268) = ( 0.5000000 0.1436556 0.0875073), wk = 0.0035211 k( 269) = ( 0.5000000 -0.7983090 -0.4862870), wk = 0.0035211 k( 270) = ( 0.5209647 -0.7887319 -0.4804532), wk = 0.0035211 k( 271) = ( 0.5419294 -0.7791549 -0.4746194), wk = 0.0035211 k( 272) = ( 0.5628941 -0.7695779 -0.4687855), wk = 0.0035211 k( 273) = ( 0.5838588 -0.7600008 -0.4629517), wk = 0.0035211 k( 274) = ( 0.6048235 -0.7504238 -0.4571179), wk = 0.0035211 k( 275) = ( 0.6257881 -0.7408468 -0.4512841), wk = 0.0035211 k( 276) = ( 0.6467528 -0.7312697 -0.4454503), wk = 0.0035211 k( 277) = ( 0.6677175 -0.7216927 -0.4396165), wk = 0.0035211 k( 278) = ( 0.6886822 -0.7121156 -0.4337826), wk = 0.0035211 k( 279) = ( 0.7096469 -0.7025386 -0.4279488), wk = 0.0035211 k( 280) = ( 0.7306116 -0.6929616 -0.4221150), wk = 0.0035211 k( 281) = ( 0.7515763 -0.6833845 -0.4162812), wk = 0.0035211 k( 282) = ( 0.7725410 -0.6738075 -0.4104474), wk = 0.0035211 k( 283) = ( 0.7935057 -0.6642305 -0.4046135), wk = 0.0035211 k( 284) = ( 0.8144704 -0.6546534 -0.3987797), wk = 0.0035211 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 2) = ( 0.0116279 0.0000000 -0.0000000), wk = 0.0035211 k( 3) = ( 0.0232558 -0.0000000 -0.0000000), wk = 0.0035211 k( 4) = ( 0.0348837 0.0000000 0.0000000), wk = 0.0035211 k( 5) = ( 0.0465116 0.0000000 -0.0000000), wk = 0.0035211 k( 6) = ( 0.0581395 0.0000000 -0.0000000), wk = 0.0035211 k( 7) = ( 0.0697674 0.0000000 0.0000000), wk = 0.0035211 k( 8) = ( 0.0813954 0.0000000 -0.0000000), wk = 0.0035211 k( 9) = ( 0.0930233 0.0000000 -0.0000000), wk = 0.0035211 k( 10) = ( 0.1046512 0.0000000 -0.0000000), wk = 0.0035211 k( 11) = ( 0.1162791 0.0000000 -0.0000000), wk = 0.0035211 k( 12) = ( 0.1279070 0.0000000 -0.0000000), wk = 0.0035211 k( 13) = ( 0.1395349 0.0000000 0.0000000), wk = 0.0035211 k( 14) = ( 0.1511628 -0.0000000 -0.0000000), wk = 0.0035211 k( 15) = ( 0.1627907 0.0000000 -0.0000000), wk = 0.0035211 k( 16) = ( 0.1744186 -0.0000000 -0.0000000), wk = 0.0035211 k( 17) = ( 0.1860465 -0.0000000 -0.0000000), wk = 0.0035211 k( 18) = ( 0.1976744 0.0000000 -0.0000000), wk = 0.0035211 k( 19) = ( 0.2093023 -0.0000000 0.0000000), wk = 0.0035211 k( 20) = ( 0.2209302 -0.0000000 0.0000000), wk = 0.0035211 k( 21) = ( 0.2325581 0.0000000 -0.0000000), wk = 0.0035211 k( 22) = ( 0.2441860 0.0000000 0.0000000), wk = 0.0035211 k( 23) = ( 0.2558140 -0.0000000 -0.0000000), wk = 0.0035211 k( 24) = ( 0.2674419 0.0000000 -0.0000000), wk = 0.0035211 k( 25) = ( 0.2790698 0.0000000 -0.0000000), wk = 0.0035211 k( 26) = ( 0.2906977 -0.0000000 -0.0000000), wk = 0.0035211 k( 27) = ( 0.3023256 -0.0000000 -0.0000000), wk = 0.0035211 k( 28) = ( 0.3139535 0.0000000 -0.0000000), wk = 0.0035211 k( 29) = ( 0.3255814 0.0000000 -0.0000000), wk = 0.0035211 k( 30) = ( 0.3372093 -0.0000000 0.0000000), wk = 0.0035211 k( 31) = ( 0.3488372 -0.0000000 -0.0000000), wk = 0.0035211 k( 32) = ( 0.3604651 0.0000000 -0.0000000), wk = 0.0035211 k( 33) = ( 0.3720930 -0.0000000 -0.0000000), wk = 0.0035211 k( 34) = ( 0.3837209 -0.0000000 -0.0000000), wk = 0.0035211 k( 35) = ( 0.3953488 0.0000000 -0.0000000), wk = 0.0035211 k( 36) = ( 0.4069767 0.0000000 0.0000000), wk = 0.0035211 k( 37) = ( 0.4186047 0.0000000 0.0000000), wk = 0.0035211 k( 38) = ( 0.4302326 -0.0000000 -0.0000000), wk = 0.0035211 k( 39) = ( 0.4418605 0.0000000 -0.0000000), wk = 0.0035211 k( 40) = ( 0.4534884 0.0000000 0.0000000), wk = 0.0035211 k( 41) = ( 0.4651163 0.0000000 -0.0000000), wk = 0.0035211 k( 42) = ( 0.4767442 0.0000000 -0.0000000), wk = 0.0035211 k( 43) = ( 0.4883721 0.0000000 -0.0000000), wk = 0.0035211 k( 44) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0035211 k( 45) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0035211 k( 46) = ( 0.5000000 0.0066261 -0.0066261), wk = 0.0035211 k( 47) = ( 0.5000000 0.0132521 -0.0132521), wk = 0.0035211 k( 48) = ( 0.5000000 0.0198782 -0.0198782), wk = 0.0035211 k( 49) = ( 0.5000000 0.0265042 -0.0265042), wk = 0.0035211 k( 50) = ( 0.5000000 0.0331303 -0.0331303), wk = 0.0035211 k( 51) = ( 0.5000000 0.0397563 -0.0397563), wk = 0.0035211 k( 52) = ( 0.5000000 0.0463824 -0.0463824), wk = 0.0035211 k( 53) = ( 0.5000000 0.0530085 -0.0530085), wk = 0.0035211 k( 54) = ( 0.5000000 0.0596345 -0.0596345), wk = 0.0035211 k( 55) = ( 0.5000000 0.0662606 -0.0662606), wk = 0.0035211 k( 56) = ( 0.5000000 0.0728866 -0.0728866), wk = 0.0035211 k( 57) = ( 0.5000000 0.0795127 -0.0795127), wk = 0.0035211 k( 58) = ( 0.5000000 0.0861388 -0.0861388), wk = 0.0035211 k( 59) = ( 0.5000000 0.0927648 -0.0927648), wk = 0.0035211 k( 60) = ( 0.5000000 0.0993909 -0.0993909), wk = 0.0035211 k( 61) = ( 0.5000000 0.1060169 -0.1060169), wk = 0.0035211 k( 62) = ( 0.5000000 0.1126430 -0.1126430), wk = 0.0035211 k( 63) = ( 0.5000000 0.1192691 -0.1192690), wk = 0.0035211 k( 64) = ( 0.5000000 0.1258951 -0.1258951), wk = 0.0035211 k( 65) = ( 0.5000000 0.1325212 -0.1325212), wk = 0.0035211 k( 66) = ( 0.5000000 0.1391472 -0.1391472), wk = 0.0035211 k( 67) = ( 0.5000000 0.1457733 -0.1457733), wk = 0.0035211 k( 68) = ( 0.5000000 0.1523993 -0.1523993), wk = 0.0035211 k( 69) = ( 0.5000000 0.1590254 -0.1590254), wk = 0.0035211 k( 70) = ( 0.5000000 0.1656515 -0.1656515), wk = 0.0035211 k( 71) = ( 0.5000000 0.1722775 -0.1722775), wk = 0.0035211 k( 72) = ( 0.5000000 0.1789036 -0.1789036), wk = 0.0035211 k( 73) = ( 0.5000000 0.1855296 -0.1855296), wk = 0.0035211 k( 74) = ( 0.8144704 0.5000000 0.1855296), wk = 0.0035211 k( 75) = ( 0.8076341 0.5000000 0.1923659), wk = 0.0035211 k( 76) = ( 0.8007977 0.5000000 0.1992023), wk = 0.0035211 k( 77) = ( 0.7939614 0.5000000 0.2060386), wk = 0.0035211 k( 78) = ( 0.7871251 0.5000000 0.2128749), wk = 0.0035211 k( 79) = ( 0.7802888 0.5000000 0.2197112), wk = 0.0035211 k( 80) = ( 0.7734525 0.5000000 0.2265475), wk = 0.0035211 k( 81) = ( 0.7666162 0.5000000 0.2333838), wk = 0.0035211 k( 82) = ( 0.7597799 0.5000000 0.2402201), wk = 0.0035211 k( 83) = ( 0.7529436 0.5000000 0.2470564), wk = 0.0035211 k( 84) = ( 0.7461072 0.5000000 0.2538927), wk = 0.0035211 k( 85) = ( 0.7392709 0.5000000 0.2607291), wk = 0.0035211 k( 86) = ( 0.7324346 0.5000000 0.2675654), wk = 0.0035211 k( 87) = ( 0.7255983 0.5000000 0.2744017), wk = 0.0035211 k( 88) = ( 0.7187620 0.5000000 0.2812380), wk = 0.0035211 k( 89) = ( 0.7119257 0.5000000 0.2880743), wk = 0.0035211 k( 90) = ( 0.7050894 0.5000000 0.2949106), wk = 0.0035211 k( 91) = ( 0.6982531 0.5000000 0.3017469), wk = 0.0035211 k( 92) = ( 0.6914168 0.5000000 0.3085833), wk = 0.0035211 k( 93) = ( 0.6845804 0.5000000 0.3154196), wk = 0.0035211 k( 94) = ( 0.6777441 0.5000000 0.3222559), wk = 0.0035211 k( 95) = ( 0.6709078 0.5000000 0.3290922), wk = 0.0035211 k( 96) = ( 0.6640715 0.5000000 0.3359285), wk = 0.0035211 k( 97) = ( 0.6572352 0.5000000 0.3427648), wk = 0.0035211 k( 98) = ( 0.6503989 0.5000000 0.3496011), wk = 0.0035211 k( 99) = ( 0.6435626 0.5000000 0.3564374), wk = 0.0035211 k( 100) = ( 0.6367263 0.5000000 0.3632737), wk = 0.0035211 k( 101) = ( 0.6298899 0.5000000 0.3701101), wk = 0.0035211 k( 102) = ( 0.6230536 0.5000000 0.3769464), wk = 0.0035211 k( 103) = ( 0.6162173 0.5000000 0.3837827), wk = 0.0035211 k( 104) = ( 0.6093810 0.5000000 0.3906190), wk = 0.0035211 k( 105) = ( 0.6025447 0.5000000 0.3974553), wk = 0.0035211 k( 106) = ( 0.5957084 0.5000000 0.4042916), wk = 0.0035211 k( 107) = ( 0.5888721 0.5000000 0.4111279), wk = 0.0035211 k( 108) = ( 0.5820357 0.5000000 0.4179642), wk = 0.0035211 k( 109) = ( 0.5751994 0.5000000 0.4248006), wk = 0.0035211 k( 110) = ( 0.5683631 0.5000000 0.4316369), wk = 0.0035211 k( 111) = ( 0.5615268 0.5000000 0.4384732), wk = 0.0035211 k( 112) = ( 0.5546905 0.5000000 0.4453095), wk = 0.0035211 k( 113) = ( 0.5478542 0.5000000 0.4521458), wk = 0.0035211 k( 114) = ( 0.5410179 0.5000000 0.4589821), wk = 0.0035211 k( 115) = ( 0.5341816 0.5000000 0.4658184), wk = 0.0035211 k( 116) = ( 0.5273452 0.5000000 0.4726548), wk = 0.0035211 k( 117) = ( 0.5205089 0.5000000 0.4794911), wk = 0.0035211 k( 118) = ( 0.5136726 0.5000000 0.4863274), wk = 0.0035211 k( 119) = ( 0.5068363 0.5000000 0.4931637), wk = 0.0035211 k( 120) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035211 k( 121) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035211 k( 122) = ( 0.4772727 0.4772727 0.4772727), wk = 0.0035211 k( 123) = ( 0.4545455 0.4545454 0.4545454), wk = 0.0035211 k( 124) = ( 0.4318182 0.4318182 0.4318182), wk = 0.0035211 k( 125) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0035211 k( 126) = ( 0.3863636 0.3863636 0.3863636), wk = 0.0035211 k( 127) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0035211 k( 128) = ( 0.3409091 0.3409091 0.3409091), wk = 0.0035211 k( 129) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0035211 k( 130) = ( 0.2954545 0.2954546 0.2954545), wk = 0.0035211 k( 131) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0035211 k( 132) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035211 k( 133) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0035211 k( 134) = ( 0.2045454 0.2045454 0.2045454), wk = 0.0035211 k( 135) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0035211 k( 136) = ( 0.1590909 0.1590909 0.1590909), wk = 0.0035211 k( 137) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0035211 k( 138) = ( 0.1136364 0.1136364 0.1136364), wk = 0.0035211 k( 139) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0035211 k( 140) = ( 0.0681818 0.0681818 0.0681818), wk = 0.0035211 k( 141) = ( 0.0454546 0.0454546 0.0454546), wk = 0.0035211 k( 142) = ( 0.0227273 0.0227273 0.0227273), wk = 0.0035211 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 145) = ( 0.0068553 -0.0000000 -0.0068553), wk = 0.0035211 k( 146) = ( 0.0137106 -0.0000000 -0.0137106), wk = 0.0035211 k( 147) = ( 0.0205659 -0.0000000 -0.0205659), wk = 0.0035211 k( 148) = ( 0.0274212 0.0000000 -0.0274212), wk = 0.0035211 k( 149) = ( 0.0342765 0.0000000 -0.0342765), wk = 0.0035211 k( 150) = ( 0.0411318 -0.0000000 -0.0411318), wk = 0.0035211 k( 151) = ( 0.0479871 -0.0000000 -0.0479871), wk = 0.0035211 k( 152) = ( 0.0548424 0.0000000 -0.0548424), wk = 0.0035211 k( 153) = ( 0.0616977 0.0000000 -0.0616977), wk = 0.0035211 k( 154) = ( 0.0685530 0.0000000 -0.0685530), wk = 0.0035211 k( 155) = ( 0.0754083 -0.0000000 -0.0754083), wk = 0.0035211 k( 156) = ( 0.0822636 -0.0000000 -0.0822636), wk = 0.0035211 k( 157) = ( 0.0891188 0.0000000 -0.0891188), wk = 0.0035211 k( 158) = ( 0.0959741 -0.0000000 -0.0959741), wk = 0.0035211 k( 159) = ( 0.1028294 -0.0000000 -0.1028294), wk = 0.0035211 k( 160) = ( 0.1096847 0.0000000 -0.1096847), wk = 0.0035211 k( 161) = ( 0.1165400 -0.0000000 -0.1165400), wk = 0.0035211 k( 162) = ( 0.1233953 -0.0000000 -0.1233953), wk = 0.0035211 k( 163) = ( 0.1302506 0.0000000 -0.1302506), wk = 0.0035211 k( 164) = ( 0.1371059 -0.0000000 -0.1371059), wk = 0.0035211 k( 165) = ( 0.1439612 -0.0000000 -0.1439612), wk = 0.0035211 k( 166) = ( 0.1508165 -0.0000000 -0.1508165), wk = 0.0035211 k( 167) = ( 0.1576718 0.0000000 -0.1576718), wk = 0.0035211 k( 168) = ( 0.1645271 -0.0000000 -0.1645271), wk = 0.0035211 k( 169) = ( 0.1713824 -0.0000000 -0.1713824), wk = 0.0035211 k( 170) = ( 0.1782377 0.0000000 -0.1782377), wk = 0.0035211 k( 171) = ( 0.1850930 0.0000000 -0.1850930), wk = 0.0035211 k( 172) = ( 0.1919483 -0.0000000 -0.1919483), wk = 0.0035211 k( 173) = ( 0.1988036 0.0000000 -0.1988036), wk = 0.0035211 k( 174) = ( 0.2056589 -0.0000000 -0.2056589), wk = 0.0035211 k( 175) = ( 0.2125142 -0.0000000 -0.2125142), wk = 0.0035211 k( 176) = ( 0.2193695 0.0000000 -0.2193695), wk = 0.0035211 k( 177) = ( 0.2262248 0.0000000 -0.2262248), wk = 0.0035211 k( 178) = ( 0.2330801 -0.0000000 -0.2330801), wk = 0.0035211 k( 179) = ( 0.2399354 0.0000000 -0.2399354), wk = 0.0035211 k( 180) = ( 0.2467907 -0.0000000 -0.2467907), wk = 0.0035211 k( 181) = ( 0.2536460 0.0000000 -0.2536460), wk = 0.0035211 k( 182) = ( 0.2605013 0.0000000 -0.2605013), wk = 0.0035211 k( 183) = ( 0.2673566 0.0000000 -0.2673566), wk = 0.0035211 k( 184) = ( 0.2742118 -0.0000000 -0.2742118), wk = 0.0035211 k( 185) = ( 0.2810671 0.0000000 -0.2810671), wk = 0.0035211 k( 186) = ( 0.2879224 -0.0000000 -0.2879224), wk = 0.0035211 k( 187) = ( 0.2947777 -0.0000000 -0.2947777), wk = 0.0035211 k( 188) = ( 0.3016330 -0.0000000 -0.3016330), wk = 0.0035211 k( 189) = ( 0.3084883 -0.0000000 -0.3084883), wk = 0.0035211 k( 190) = ( 0.3153436 0.0000000 -0.3153436), wk = 0.0035211 k( 191) = ( 0.3221989 -0.0000000 -0.3221989), wk = 0.0035211 k( 192) = ( 0.3290542 -0.0000000 -0.3290542), wk = 0.0035211 k( 193) = ( 0.3359095 -0.0000000 -0.3359095), wk = 0.0035211 k( 194) = ( 0.3427648 -0.0000000 -0.3427648), wk = 0.0035211 k( 195) = ( 0.6572352 0.3427648 0.0000000), wk = 0.0035211 k( 196) = ( 0.6503989 0.3496011 0.0000000), wk = 0.0035211 k( 197) = ( 0.6435626 0.3564374 0.0000000), wk = 0.0035211 k( 198) = ( 0.6367263 0.3632738 0.0000000), wk = 0.0035211 k( 199) = ( 0.6298899 0.3701101 -0.0000000), wk = 0.0035211 k( 200) = ( 0.6230536 0.3769464 -0.0000000), wk = 0.0035211 k( 201) = ( 0.6162173 0.3837827 -0.0000000), wk = 0.0035211 k( 202) = ( 0.6093810 0.3906190 0.0000000), wk = 0.0035211 k( 203) = ( 0.6025447 0.3974553 -0.0000000), wk = 0.0035211 k( 204) = ( 0.5957084 0.4042916 -0.0000000), wk = 0.0035211 k( 205) = ( 0.5888721 0.4111279 0.0000000), wk = 0.0035211 k( 206) = ( 0.5820357 0.4179642 0.0000000), wk = 0.0035211 k( 207) = ( 0.5751994 0.4248006 -0.0000000), wk = 0.0035211 k( 208) = ( 0.5683631 0.4316369 0.0000000), wk = 0.0035211 k( 209) = ( 0.5615268 0.4384732 -0.0000000), wk = 0.0035211 k( 210) = ( 0.5546905 0.4453095 0.0000000), wk = 0.0035211 k( 211) = ( 0.5478542 0.4521458 0.0000000), wk = 0.0035211 k( 212) = ( 0.5410179 0.4589821 0.0000000), wk = 0.0035211 k( 213) = ( 0.5341816 0.4658184 0.0000000), wk = 0.0035211 k( 214) = ( 0.5273452 0.4726548 0.0000000), wk = 0.0035211 k( 215) = ( 0.5205089 0.4794911 0.0000000), wk = 0.0035211 k( 216) = ( 0.5136726 0.4863274 0.0000000), wk = 0.0035211 k( 217) = ( 0.5068363 0.4931637 0.0000000), wk = 0.0035211 k( 218) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035211 k( 219) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035211 k( 220) = ( 0.5196544 0.5196544 0.0231912), wk = 0.0035211 k( 221) = ( 0.5393088 0.5393088 0.0463824), wk = 0.0035211 k( 222) = ( 0.5589632 0.5589632 0.0695736), wk = 0.0035211 k( 223) = ( 0.5786176 0.5786176 0.0927648), wk = 0.0035211 k( 224) = ( 0.5982720 0.5982720 0.1159560), wk = 0.0035211 k( 225) = ( 0.6179264 0.6179264 0.1391472), wk = 0.0035211 k( 226) = ( 0.6375808 0.6375808 0.1623384), wk = 0.0035211 k( 227) = ( 0.6572352 0.6572352 0.1855296), wk = 0.0035211 k( 228) = ( 0.6572352 0.6572352 0.1855296), wk = 0.0035211 k( 229) = ( 0.6533043 0.6533043 0.1933914), wk = 0.0035211 k( 230) = ( 0.6493734 0.6493734 0.2012531), wk = 0.0035211 k( 231) = ( 0.6454425 0.6454425 0.2091149), wk = 0.0035211 k( 232) = ( 0.6415117 0.6415117 0.2169767), wk = 0.0035211 k( 233) = ( 0.6375808 0.6375808 0.2248384), wk = 0.0035211 k( 234) = ( 0.6336499 0.6336499 0.2327002), wk = 0.0035211 k( 235) = ( 0.6297190 0.6297190 0.2405619), wk = 0.0035211 k( 236) = ( 0.6257881 0.6257881 0.2484237), wk = 0.0035211 k( 237) = ( 0.6218573 0.6218573 0.2562855), wk = 0.0035211 k( 238) = ( 0.6179264 0.6179264 0.2641472), wk = 0.0035211 k( 239) = ( 0.6139955 0.6139955 0.2720090), wk = 0.0035211 k( 240) = ( 0.6100646 0.6100646 0.2798707), wk = 0.0035211 k( 241) = ( 0.6061338 0.6061338 0.2877325), wk = 0.0035211 k( 242) = ( 0.6022029 0.6022029 0.2955943), wk = 0.0035211 k( 243) = ( 0.5982720 0.5982720 0.3034560), wk = 0.0035211 k( 244) = ( 0.5943411 0.5943411 0.3113178), wk = 0.0035211 k( 245) = ( 0.5904102 0.5904102 0.3191795), wk = 0.0035211 k( 246) = ( 0.5864793 0.5864793 0.3270413), wk = 0.0035211 k( 247) = ( 0.5825485 0.5825485 0.3349031), wk = 0.0035211 k( 248) = ( 0.5786176 0.5786176 0.3427648), wk = 0.0035211 k( 249) = ( 0.5746867 0.5746867 0.3506266), wk = 0.0035211 k( 250) = ( 0.5707558 0.5707558 0.3584883), wk = 0.0035211 k( 251) = ( 0.5668249 0.5668249 0.3663501), wk = 0.0035211 k( 252) = ( 0.5628941 0.5628941 0.3742119), wk = 0.0035211 k( 253) = ( 0.5589632 0.5589632 0.3820736), wk = 0.0035211 k( 254) = ( 0.5550323 0.5550323 0.3899354), wk = 0.0035211 k( 255) = ( 0.5511014 0.5511014 0.3977971), wk = 0.0035211 k( 256) = ( 0.5471706 0.5471706 0.4056589), wk = 0.0035211 k( 257) = ( 0.5432397 0.5432397 0.4135207), wk = 0.0035211 k( 258) = ( 0.5393088 0.5393088 0.4213824), wk = 0.0035211 k( 259) = ( 0.5353779 0.5353779 0.4292442), wk = 0.0035211 k( 260) = ( 0.5314470 0.5314470 0.4371059), wk = 0.0035211 k( 261) = ( 0.5275162 0.5275162 0.4449677), wk = 0.0035211 k( 262) = ( 0.5235853 0.5235853 0.4528294), wk = 0.0035211 k( 263) = ( 0.5196544 0.5196544 0.4606912), wk = 0.0035211 k( 264) = ( 0.5157235 0.5157235 0.4685530), wk = 0.0035211 k( 265) = ( 0.5117926 0.5117926 0.4764147), wk = 0.0035211 k( 266) = ( 0.5078618 0.5078618 0.4842765), wk = 0.0035211 k( 267) = ( 0.5039309 0.5039309 0.4921382), wk = 0.0035211 k( 268) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035211 k( 269) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0035211 k( 270) = ( 0.5209647 0.0228510 0.0228510), wk = 0.0035211 k( 271) = ( 0.5419294 0.0457020 0.0457020), wk = 0.0035211 k( 272) = ( 0.5628941 0.0685530 0.0685530), wk = 0.0035211 k( 273) = ( 0.5838588 0.0914039 0.0914039), wk = 0.0035211 k( 274) = ( 0.6048235 0.1142549 0.1142549), wk = 0.0035211 k( 275) = ( 0.6257881 0.1371059 0.1371059), wk = 0.0035211 k( 276) = ( 0.6467528 0.1599569 0.1599569), wk = 0.0035211 k( 277) = ( 0.6677175 0.1828079 0.1828079), wk = 0.0035211 k( 278) = ( 0.6886822 0.2056589 0.2056589), wk = 0.0035211 k( 279) = ( 0.7096469 0.2285099 0.2285099), wk = 0.0035211 k( 280) = ( 0.7306116 0.2513609 0.2513609), wk = 0.0035211 k( 281) = ( 0.7515763 0.2742118 0.2742118), wk = 0.0035211 k( 282) = ( 0.7725410 0.2970628 0.2970628), wk = 0.0035211 k( 283) = ( 0.7935057 0.3199138 0.3199138), wk = 0.0035211 k( 284) = ( 0.8144704 0.3427648 0.3427648), wk = 0.0035211 Dense grid: 61561 G-vectors FFT dimensions: ( 80, 80, 80) Smooth grid: 33973 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 124, 40) NL pseudopotentials 0.13 Mb ( 62, 136) Each V/rho on FFT grid 0.20 Mb ( 12800) Each G-vector array 0.01 Mb ( 857) G-vector shells 0.01 Mb ( 779) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.30 Mb ( 124, 160) Each subspace H/S matrix 0.01 Mb ( 26, 26) Each matrix 0.17 Mb ( 136, 2, 40) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Ca2PI.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 6.5 secs Computing kpt #: 2 total cpu time spent up to now is 9.2 secs Computing kpt #: 3 total cpu time spent up to now is 12.5 secs Computing kpt #: 4 total cpu time spent up to now is 15.3 secs Computing kpt #: 5 total cpu time spent up to now is 17.9 secs Computing kpt #: 6 total cpu time spent up to now is 20.5 secs Computing kpt #: 7 total cpu time spent up to now is 23.2 secs Computing kpt #: 8 total cpu time spent up to now is 26.2 secs Computing kpt #: 9 total cpu time spent up to now is 28.5 secs Computing kpt #: 10 total cpu time spent up to now is 30.8 secs Computing kpt #: 11 total cpu time spent up to now is 33.0 secs Computing kpt #: 12 total cpu time spent up to now is 35.4 secs Computing kpt #: 13 total cpu time spent up to now is 37.8 secs Computing kpt #: 14 total cpu time spent up to now is 40.3 secs Computing kpt #: 15 total cpu time spent up to now is 42.9 secs Computing kpt #: 16 total cpu time spent up to now is 45.4 secs Computing kpt #: 17 total cpu time spent up to now is 48.1 secs Computing kpt #: 18 total cpu time spent up to now is 50.1 secs Computing kpt #: 19 total cpu time spent up to now is 52.9 secs Computing kpt #: 20 total cpu time spent up to now is 55.9 secs Computing kpt #: 21 total cpu time spent up to now is 58.5 secs Computing kpt #: 22 total cpu time spent up to now is 61.6 secs Computing kpt #: 23 total cpu time spent up to now is 64.7 secs Computing kpt #: 24 total cpu time spent up to now is 68.8 secs Computing kpt #: 25 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 73.1 secs Computing kpt #: 26 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 77.5 secs Computing kpt #: 27 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 82.1 secs Computing kpt #: 28 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 86.5 secs Computing kpt #: 29 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 90.7 secs Computing kpt #: 30 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 94.9 secs Computing kpt #: 31 total cpu time spent up to now is 98.3 secs Computing kpt #: 32 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 102.4 secs Computing kpt #: 33 total cpu time spent up to now is 106.0 secs Computing kpt #: 34 total cpu time spent up to now is 109.9 secs Computing kpt #: 35 total cpu time spent up to now is 113.3 secs Computing kpt #: 36 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 117.4 secs Computing kpt #: 37 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 121.1 secs Computing kpt #: 38 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 125.1 secs Computing kpt #: 39 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 129.1 secs Computing kpt #: 40 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 133.1 secs Computing kpt #: 41 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 137.3 secs Computing kpt #: 42 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 142.5 secs Computing kpt #: 43 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 148.5 secs Computing kpt #: 44 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 153.1 secs Computing kpt #: 45 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 157.8 secs Computing kpt #: 46 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 162.8 secs Computing kpt #: 47 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 167.2 secs Computing kpt #: 48 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 171.9 secs Computing kpt #: 49 total cpu time spent up to now is 175.6 secs Computing kpt #: 50 total cpu time spent up to now is 179.4 secs Computing kpt #: 51 total cpu time spent up to now is 182.1 secs Computing kpt #: 52 total cpu time spent up to now is 184.8 secs Computing kpt #: 53 total cpu time spent up to now is 186.8 secs Computing kpt #: 54 total cpu time spent up to now is 189.0 secs Computing kpt #: 55 total cpu time spent up to now is 191.2 secs Computing kpt #: 56 total cpu time spent up to now is 193.5 secs Computing kpt #: 57 total cpu time spent up to now is 195.8 secs Computing kpt #: 58 total cpu time spent up to now is 198.3 secs Computing kpt #: 59 total cpu time spent up to now is 200.9 secs Computing kpt #: 60 total cpu time spent up to now is 203.3 secs Computing kpt #: 61 total cpu time spent up to now is 205.5 secs Computing kpt #: 62 total cpu time spent up to now is 208.0 secs Computing kpt #: 63 total cpu time spent up to now is 210.4 secs Computing kpt #: 64 total cpu time spent up to now is 212.8 secs Computing kpt #: 65 total cpu time spent up to now is 215.0 secs Computing kpt #: 66 total cpu time spent up to now is 217.5 secs Computing kpt #: 67 total cpu time spent up to now is 220.1 secs Computing kpt #: 68 total cpu time spent up to now is 222.2 secs Computing kpt #: 69 total cpu time spent up to now is 224.4 secs Computing kpt #: 70 total cpu time spent up to now is 226.8 secs Computing kpt #: 71 total cpu time spent up to now is 228.9 secs Computing kpt #: 72 total cpu time spent up to now is 230.9 secs Computing kpt #: 73 total cpu time spent up to now is 233.1 secs Computing kpt #: 74 total cpu time spent up to now is 235.2 secs Computing kpt #: 75 total cpu time spent up to now is 237.3 secs Computing kpt #: 76 total cpu time spent up to now is 239.2 secs Computing kpt #: 77 total cpu time spent up to now is 241.5 secs Computing kpt #: 78 total cpu time spent up to now is 243.8 secs Computing kpt #: 79 total cpu time spent up to now is 246.3 secs Computing kpt #: 80 total cpu time spent up to now is 248.7 secs Computing kpt #: 81 total cpu time spent up to now is 251.1 secs Computing kpt #: 82 total cpu time spent up to now is 253.4 secs Computing kpt #: 83 total cpu time spent up to now is 255.6 secs Computing kpt #: 84 total cpu time spent up to now is 257.7 secs Computing kpt #: 85 total cpu time spent up to now is 260.5 secs Computing kpt #: 86 total cpu time spent up to now is 262.9 secs Computing kpt #: 87 total cpu time spent up to now is 265.0 secs Computing kpt #: 88 total cpu time spent up to now is 267.2 secs Computing kpt #: 89 total cpu time spent up to now is 269.4 secs Computing kpt #: 90 total cpu time spent up to now is 271.8 secs Computing kpt #: 91 total cpu time spent up to now is 274.0 secs Computing kpt #: 92 total cpu time spent up to now is 276.0 secs Computing kpt #: 93 total cpu time spent up to now is 278.1 secs Computing kpt #: 94 total cpu time spent up to now is 280.3 secs Computing kpt #: 95 total cpu time spent up to now is 282.7 secs Computing kpt #: 96 total cpu time spent up to now is 285.3 secs Computing kpt #: 97 total cpu time spent up to now is 287.5 secs Computing kpt #: 98 total cpu time spent up to now is 290.3 secs Computing kpt #: 99 total cpu time spent up to now is 293.0 secs Computing kpt #: 100 total cpu time spent up to now is 295.2 secs Computing kpt #: 101 total cpu time spent up to now is 297.3 secs Computing kpt #: 102 total cpu time spent up to now is 299.7 secs Computing kpt #: 103 total cpu time spent up to now is 302.1 secs Computing kpt #: 104 total cpu time spent up to now is 304.6 secs Computing kpt #: 105 total cpu time spent up to now is 306.7 secs Computing kpt #: 106 total cpu time spent up to now is 309.0 secs Computing kpt #: 107 total cpu time spent up to now is 311.3 secs Computing kpt #: 108 total cpu time spent up to now is 313.6 secs Computing kpt #: 109 total cpu time spent up to now is 315.5 secs Computing kpt #: 110 total cpu time spent up to now is 317.6 secs Computing kpt #: 111 total cpu time spent up to now is 319.7 secs Computing kpt #: 112 total cpu time spent up to now is 322.2 secs Computing kpt #: 113 total cpu time spent up to now is 324.2 secs Computing kpt #: 114 total cpu time spent up to now is 326.1 secs Computing kpt #: 115 total cpu time spent up to now is 328.1 secs Computing kpt #: 116 total cpu time spent up to now is 330.3 secs Computing kpt #: 117 total cpu time spent up to now is 332.2 secs Computing kpt #: 118 total cpu time spent up to now is 334.1 secs Computing kpt #: 119 total cpu time spent up to now is 335.9 secs Computing kpt #: 120 total cpu time spent up to now is 337.9 secs Computing kpt #: 121 total cpu time spent up to now is 340.0 secs Computing kpt #: 122 total cpu time spent up to now is 342.0 secs Computing kpt #: 123 total cpu time spent up to now is 344.0 secs Computing kpt #: 124 total cpu time spent up to now is 346.2 secs Computing kpt #: 125 total cpu time spent up to now is 348.4 secs Computing kpt #: 126 total cpu time spent up to now is 350.6 secs Computing kpt #: 127 total cpu time spent up to now is 352.9 secs Computing kpt #: 128 total cpu time spent up to now is 355.4 secs Computing kpt #: 129 total cpu time spent up to now is 358.1 secs Computing kpt #: 130 total cpu time spent up to now is 361.3 secs Computing kpt #: 131 total cpu time spent up to now is 364.5 secs Computing kpt #: 132 total cpu time spent up to now is 367.2 secs Computing kpt #: 133 total cpu time spent up to now is 370.1 secs Computing kpt #: 134 total cpu time spent up to now is 373.1 secs Computing kpt #: 135 total cpu time spent up to now is 375.5 secs Computing kpt #: 136 total cpu time spent up to now is 377.9 secs Computing kpt #: 137 total cpu time spent up to now is 380.8 secs Computing kpt #: 138 total cpu time spent up to now is 383.4 secs Computing kpt #: 139 total cpu time spent up to now is 386.0 secs Computing kpt #: 140 total cpu time spent up to now is 388.5 secs Computing kpt #: 141 total cpu time spent up to now is 390.9 secs Computing kpt #: 142 total cpu time spent up to now is 393.3 secs Computing kpt #: 143 total cpu time spent up to now is 395.7 secs Computing kpt #: 144 total cpu time spent up to now is 398.0 secs Computing kpt #: 145 total cpu time spent up to now is 400.5 secs Computing kpt #: 146 total cpu time spent up to now is 402.9 secs Computing kpt #: 147 total cpu time spent up to now is 405.5 secs Computing kpt #: 148 total cpu time spent up to now is 408.2 secs Computing kpt #: 149 total cpu time spent up to now is 410.6 secs Computing kpt #: 150 total cpu time spent up to now is 413.4 secs Computing kpt #: 151 total cpu time spent up to now is 415.6 secs Computing kpt #: 152 total cpu time spent up to now is 418.1 secs Computing kpt #: 153 total cpu time spent up to now is 420.6 secs Computing kpt #: 154 total cpu time spent up to now is 424.0 secs Computing kpt #: 155 total cpu time spent up to now is 427.2 secs Computing kpt #: 156 total cpu time spent up to now is 430.4 secs Computing kpt #: 157 total cpu time spent up to now is 433.9 secs Computing kpt #: 158 total cpu time spent up to now is 438.9 secs Computing kpt #: 159 total cpu time spent up to now is 442.9 secs Computing kpt #: 160 total cpu time spent up to now is 446.0 secs Computing kpt #: 161 total cpu time spent up to now is 448.8 secs Computing kpt #: 162 total cpu time spent up to now is 451.7 secs Computing kpt #: 163 total cpu time spent up to now is 454.6 secs Computing kpt #: 164 total cpu time spent up to now is 457.8 secs Computing kpt #: 165 total cpu time spent up to now is 461.0 secs Computing kpt #: 166 total cpu time spent up to now is 464.8 secs Computing kpt #: 167 total cpu time spent up to now is 469.5 secs Computing kpt #: 168 total cpu time spent up to now is 472.9 secs Computing kpt #: 169 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 477.7 secs Computing kpt #: 170 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 482.4 secs Computing kpt #: 171 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 487.0 secs Computing kpt #: 172 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 492.3 secs Computing kpt #: 173 total cpu time spent up to now is 494.7 secs Computing kpt #: 174 total cpu time spent up to now is 497.0 secs Computing kpt #: 175 total cpu time spent up to now is 499.7 secs Computing kpt #: 176 total cpu time spent up to now is 502.6 secs Computing kpt #: 177 total cpu time spent up to now is 504.7 secs Computing kpt #: 178 total cpu time spent up to now is 507.0 secs Computing kpt #: 179 total cpu time spent up to now is 509.1 secs Computing kpt #: 180 total cpu time spent up to now is 511.1 secs Computing kpt #: 181 total cpu time spent up to now is 513.0 secs Computing kpt #: 182 total cpu time spent up to now is 515.0 secs Computing kpt #: 183 total cpu time spent up to now is 517.0 secs Computing kpt #: 184 total cpu time spent up to now is 519.0 secs Computing kpt #: 185 total cpu time spent up to now is 521.3 secs Computing kpt #: 186 total cpu time spent up to now is 523.3 secs Computing kpt #: 187 total cpu time spent up to now is 525.2 secs Computing kpt #: 188 total cpu time spent up to now is 527.0 secs Computing kpt #: 189 total cpu time spent up to now is 529.1 secs Computing kpt #: 190 total cpu time spent up to now is 531.1 secs Computing kpt #: 191 total cpu time spent up to now is 533.2 secs Computing kpt #: 192 total cpu time spent up to now is 535.4 secs Computing kpt #: 193 total cpu time spent up to now is 537.3 secs Computing kpt #: 194 total cpu time spent up to now is 539.0 secs Computing kpt #: 195 total cpu time spent up to now is 541.5 secs Computing kpt #: 196 total cpu time spent up to now is 544.1 secs Computing kpt #: 197 total cpu time spent up to now is 546.5 secs Computing kpt #: 198 total cpu time spent up to now is 548.9 secs Computing kpt #: 199 total cpu time spent up to now is 552.0 secs Computing kpt #: 200 total cpu time spent up to now is 555.1 secs Computing kpt #: 201 total cpu time spent up to now is 559.2 secs Computing kpt #: 202 total cpu time spent up to now is 561.5 secs Computing kpt #: 203 total cpu time spent up to now is 564.4 secs Computing kpt #: 204 total cpu time spent up to now is 568.1 secs Computing kpt #: 205 total cpu time spent up to now is 570.8 secs Computing kpt #: 206 total cpu time spent up to now is 573.5 secs Computing kpt #: 207 total cpu time spent up to now is 576.2 secs Computing kpt #: 208 total cpu time spent up to now is 578.6 secs Computing kpt #: 209 total cpu time spent up to now is 581.2 secs Computing kpt #: 210 total cpu time spent up to now is 583.6 secs Computing kpt #: 211 total cpu time spent up to now is 586.0 secs Computing kpt #: 212 total cpu time spent up to now is 588.4 secs Computing kpt #: 213 total cpu time spent up to now is 590.9 secs Computing kpt #: 214 total cpu time spent up to now is 593.6 secs Computing kpt #: 215 total cpu time spent up to now is 596.4 secs Computing kpt #: 216 total cpu time spent up to now is 599.4 secs Computing kpt #: 217 total cpu time spent up to now is 602.6 secs Computing kpt #: 218 total cpu time spent up to now is 606.5 secs Computing kpt #: 219 total cpu time spent up to now is 609.8 secs Computing kpt #: 220 total cpu time spent up to now is 613.6 secs Computing kpt #: 221 total cpu time spent up to now is 616.9 secs Computing kpt #: 222 total cpu time spent up to now is 620.8 secs Computing kpt #: 223 total cpu time spent up to now is 623.6 secs Computing kpt #: 224 total cpu time spent up to now is 626.5 secs Computing kpt #: 225 total cpu time spent up to now is 629.7 secs Computing kpt #: 226 total cpu time spent up to now is 632.8 secs Computing kpt #: 227 total cpu time spent up to now is 636.3 secs Computing kpt #: 228 total cpu time spent up to now is 639.3 secs Computing kpt #: 229 total cpu time spent up to now is 642.8 secs Computing kpt #: 230 total cpu time spent up to now is 646.0 secs Computing kpt #: 231 total cpu time spent up to now is 649.9 secs Computing kpt #: 232 total cpu time spent up to now is 652.5 secs Computing kpt #: 233 total cpu time spent up to now is 655.5 secs Computing kpt #: 234 total cpu time spent up to now is 658.2 secs Computing kpt #: 235 total cpu time spent up to now is 661.0 secs Computing kpt #: 236 total cpu time spent up to now is 663.4 secs Computing kpt #: 237 total cpu time spent up to now is 666.6 secs Computing kpt #: 238 total cpu time spent up to now is 669.6 secs Computing kpt #: 239 total cpu time spent up to now is 672.1 secs Computing kpt #: 240 total cpu time spent up to now is 674.4 secs Computing kpt #: 241 total cpu time spent up to now is 676.7 secs Computing kpt #: 242 total cpu time spent up to now is 679.0 secs Computing kpt #: 243 total cpu time spent up to now is 681.3 secs Computing kpt #: 244 total cpu time spent up to now is 683.7 secs Computing kpt #: 245 total cpu time spent up to now is 686.2 secs Computing kpt #: 246 total cpu time spent up to now is 688.8 secs Computing kpt #: 247 total cpu time spent up to now is 691.5 secs Computing kpt #: 248 total cpu time spent up to now is 694.2 secs Computing kpt #: 249 total cpu time spent up to now is 696.7 secs Computing kpt #: 250 total cpu time spent up to now is 699.0 secs Computing kpt #: 251 total cpu time spent up to now is 701.2 secs Computing kpt #: 252 total cpu time spent up to now is 703.8 secs Computing kpt #: 253 total cpu time spent up to now is 706.2 secs Computing kpt #: 254 total cpu time spent up to now is 708.2 secs Computing kpt #: 255 total cpu time spent up to now is 711.0 secs Computing kpt #: 256 total cpu time spent up to now is 713.6 secs Computing kpt #: 257 total cpu time spent up to now is 715.8 secs Computing kpt #: 258 total cpu time spent up to now is 718.4 secs Computing kpt #: 259 total cpu time spent up to now is 720.9 secs Computing kpt #: 260 total cpu time spent up to now is 723.0 secs Computing kpt #: 261 total cpu time spent up to now is 725.2 secs Computing kpt #: 262 total cpu time spent up to now is 727.5 secs Computing kpt #: 263 total cpu time spent up to now is 729.5 secs Computing kpt #: 264 total cpu time spent up to now is 731.5 secs Computing kpt #: 265 total cpu time spent up to now is 734.1 secs Computing kpt #: 266 total cpu time spent up to now is 736.0 secs Computing kpt #: 267 total cpu time spent up to now is 738.2 secs Computing kpt #: 268 total cpu time spent up to now is 740.6 secs Computing kpt #: 269 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 745.5 secs Computing kpt #: 270 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 750.8 secs Computing kpt #: 271 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 755.3 secs Computing kpt #: 272 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 759.9 secs Computing kpt #: 273 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 764.9 secs Computing kpt #: 274 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 769.5 secs Computing kpt #: 275 total cpu time spent up to now is 773.9 secs Computing kpt #: 276 total cpu time spent up to now is 778.2 secs Computing kpt #: 277 total cpu time spent up to now is 781.8 secs Computing kpt #: 278 total cpu time spent up to now is 786.0 secs Computing kpt #: 279 total cpu time spent up to now is 789.3 secs Computing kpt #: 280 total cpu time spent up to now is 792.5 secs Computing kpt #: 281 total cpu time spent up to now is 795.4 secs Computing kpt #: 282 total cpu time spent up to now is 798.6 secs Computing kpt #: 283 total cpu time spent up to now is 801.9 secs Computing kpt #: 284 total cpu time spent up to now is 804.7 secs ethr = 3.13E-08, avg # of iterations = 56.4 total cpu time spent up to now is 804.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4243 PWs) bands (ev): -34.3846 -34.3846 -34.3716 -34.3716 -15.6820 -15.6820 -15.6214 -15.6214 -15.3291 -15.3291 -15.2555 -15.2555 -15.2498 -15.2498 -15.2268 -15.2268 -7.3785 -7.3785 -2.4446 -2.4446 1.6256 1.6256 3.3272 3.3272 3.9641 3.9641 5.3460 5.3460 5.7608 5.7608 5.8218 5.8218 8.3982 8.3982 8.9574 8.9574 8.9630 8.9630 9.1784 9.1784 k = 0.0116-0.0186-0.0113 ( 4249 PWs) bands (ev): -34.3846 -34.3846 -34.3716 -34.3716 -15.6820 -15.6820 -15.6215 -15.6215 -15.3291 -15.3291 -15.2556 -15.2556 -15.2498 -15.2498 -15.2269 -15.2269 -7.3781 -7.3781 -2.4442 -2.4442 1.6264 1.6264 3.3254 3.3254 3.9618 3.9618 5.3455 5.3455 5.7581 5.7581 5.8188 5.8188 8.4046 8.4046 8.9571 8.9571 8.9640 8.9640 9.1805 9.1805 k = 0.0233-0.0371-0.0226 ( 4247 PWs) bands (ev): -34.3846 -34.3846 -34.3716 -34.3716 -15.6820 -15.6820 -15.6216 -15.6216 -15.3291 -15.3291 -15.2560 -15.2560 -15.2496 -15.2496 -15.2271 -15.2271 -7.3770 -7.3770 -2.4427 -2.4427 1.6288 1.6288 3.3200 3.3200 3.9550 3.9550 5.3440 5.3440 5.7489 5.7489 5.8109 5.8109 8.4235 8.4235 8.9533 8.9533 8.9701 8.9701 9.1869 9.1869 k = 0.0349-0.0557-0.0339 ( 4240 PWs) bands (ev): -34.3846 -34.3846 -34.3716 -34.3716 -15.6819 -15.6819 -15.6218 -15.6218 -15.3290 -15.3290 -15.2566 -15.2566 -15.2493 -15.2493 -15.2273 -15.2273 -7.3750 -7.3750 -2.4403 -2.4403 1.6328 1.6328 3.3109 3.3109 3.9439 3.9439 5.3414 5.3414 5.7313 5.7313 5.8010 5.8010 8.4537 8.4537 8.9456 8.9456 8.9814 8.9814 9.1975 9.1975 k = 0.0465-0.0743-0.0452 ( 4236 PWs) bands (ev): -34.3845 -34.3845 -34.3716 -34.3716 -15.6819 -15.6819 -15.6221 -15.6221 -15.3290 -15.3290 -15.2573 -15.2573 -15.2490 -15.2490 -15.2276 -15.2276 -7.3722 -7.3722 -2.4369 -2.4369 1.6383 1.6383 3.2980 3.2980 3.9288 3.9288 5.3378 5.3378 5.7038 5.7038 5.7915 5.7915 8.4936 8.4936 8.9348 8.9348 8.9975 8.9975 9.2122 9.2122 k = 0.0581-0.0928-0.0565 ( 4228 PWs) bands (ev): -34.3845 -34.3845 -34.3716 -34.3716 -15.6818 -15.6818 -15.6225 -15.6225 -15.3289 -15.3289 -15.2582 -15.2582 -15.2487 -15.2487 -15.2280 -15.2280 -7.3687 -7.3687 -2.4325 -2.4325 1.6453 1.6453 3.2813 3.2813 3.9101 3.9101 5.3330 5.3330 5.6672 5.6672 5.7828 5.7828 8.5410 8.5410 8.9214 8.9214 9.0181 9.0181 9.2308 9.2308 k = 0.0698-0.1114-0.0679 ( 4223 PWs) bands (ev): -34.3844 -34.3844 -34.3716 -34.3716 -15.6817 -15.6817 -15.6229 -15.6229 -15.3288 -15.3288 -15.2592 -15.2592 -15.2484 -15.2484 -15.2285 -15.2285 -7.3644 -7.3644 -2.4273 -2.4273 1.6538 1.6538 3.2606 3.2606 3.8883 3.8883 5.3269 5.3269 5.6235 5.6235 5.7745 5.7745 8.5925 8.5925 8.9065 8.9065 9.0429 9.0429 9.2532 9.2532 k = 0.0814-0.1300-0.0792 ( 4211 PWs) bands (ev): -34.3843 -34.3843 -34.3716 -34.3716 -15.6816 -15.6816 -15.6234 -15.6234 -15.3287 -15.3287 -15.2602 -15.2602 -15.2482 -15.2482 -15.2290 -15.2290 -7.3594 -7.3594 -2.4211 -2.4211 1.6635 1.6635 3.2359 3.2359 3.8639 3.8639 5.3193 5.3193 5.5747 5.5747 5.7662 5.7662 8.6437 8.6437 8.8927 8.8927 9.0718 9.0718 9.2789 9.2789 k = 0.0930-0.1485-0.0905 ( 4214 PWs) bands (ev): -34.3842 -34.3842 -34.3716 -34.3716 -15.6815 -15.6815 -15.6241 -15.6241 -15.3287 -15.3287 -15.2614 -15.2614 -15.2480 -15.2480 -15.2297 -15.2297 -7.3537 -7.3537 -2.4139 -2.4139 1.6745 1.6745 3.2070 3.2070 3.8377 3.8377 5.3097 5.3097 5.5228 5.5228 5.7576 5.7576 8.6868 8.6868 8.8855 8.8855 9.1045 9.1045 9.3072 9.3072 k = 0.1047-0.1671-0.1018 ( 4217 PWs) bands (ev): -34.3840 -34.3840 -34.3716 -34.3716 -15.6814 -15.6814 -15.6248 -15.6248 -15.3286 -15.3286 -15.2626 -15.2626 -15.2479 -15.2479 -15.2303 -15.2303 -7.3473 -7.3473 -2.4060 -2.4060 1.6866 1.6866 3.1738 3.1738 3.8100 3.8100 5.2970 5.2970 5.4700 5.4700 5.7487 5.7487 8.7108 8.7108 8.8944 8.8944 9.1409 9.1409 9.3367 9.3367 k = 0.1163-0.1857-0.1131 ( 4213 PWs) bands (ev): -34.3839 -34.3839 -34.3716 -34.3716 -15.6813 -15.6813 -15.6255 -15.6255 -15.3285 -15.3285 -15.2639 -15.2639 -15.2479 -15.2479 -15.2311 -15.2311 -7.3402 -7.3402 -2.3971 -2.3971 1.6996 1.6996 3.1366 3.1366 3.7816 3.7816 5.2793 5.2793 5.4194 5.4194 5.7393 5.7393 8.7101 8.7101 8.9233 8.9233 9.1806 9.1806 9.3653 9.3653 k = 0.1279-0.2042-0.1244 ( 4211 PWs) bands (ev): -34.3837 -34.3837 -34.3716 -34.3716 -15.6812 -15.6812 -15.6264 -15.6264 -15.3284 -15.3284 -15.2652 -15.2652 -15.2479 -15.2479 -15.2318 -15.2318 -7.3326 -7.3326 -2.3874 -2.3874 1.7135 1.7135 3.0954 3.0954 3.7530 3.7530 5.2528 5.2528 5.3756 5.3756 5.7297 5.7297 8.6923 8.6923 8.9637 8.9637 9.2235 9.2235 9.3898 9.3898 k = 0.1395-0.2228-0.1357 ( 4209 PWs) bands (ev): -34.3836 -34.3836 -34.3716 -34.3716 -15.6811 -15.6811 -15.6273 -15.6273 -15.3282 -15.3282 -15.2666 -15.2666 -15.2480 -15.2480 -15.2326 -15.2326 -7.3243 -7.3243 -2.3770 -2.3770 1.7280 1.7280 3.0505 3.0505 3.7244 3.7244 5.2142 5.2142 5.3425 5.3425 5.7197 5.7197 8.6657 8.6657 9.0068 9.0068 9.2691 9.2691 9.4074 9.4074 k = 0.1512-0.2413-0.1470 ( 4212 PWs) bands (ev): -34.3834 -34.3834 -34.3716 -34.3716 -15.6809 -15.6809 -15.6283 -15.6283 -15.3281 -15.3281 -15.2680 -15.2680 -15.2482 -15.2482 -15.2335 -15.2335 -7.3155 -7.3155 -2.3657 -2.3657 1.7429 1.7429 3.0023 3.0023 3.6963 3.6963 5.1650 5.1650 5.3192 5.3192 5.7096 5.7096 8.6349 8.6349 9.0484 9.0484 9.3172 9.3172 9.4174 9.4174 k = 0.1628-0.2599-0.1583 ( 4212 PWs) bands (ev): -34.3832 -34.3832 -34.3717 -34.3717 -15.6808 -15.6808 -15.6293 -15.6293 -15.3280 -15.3280 -15.2695 -15.2695 -15.2485 -15.2485 -15.2343 -15.2343 -7.3062 -7.3062 -2.3538 -2.3538 1.7579 1.7579 2.9513 2.9513 3.6689 3.6689 5.1098 5.1098 5.3016 5.3016 5.6993 5.6993 8.6021 8.6021 9.0869 9.0869 9.3673 9.3673 9.4210 9.4210 k = 0.1744-0.2785-0.1696 ( 4216 PWs) bands (ev): -34.3830 -34.3830 -34.3717 -34.3717 -15.6807 -15.6807 -15.6304 -15.6304 -15.3278 -15.3278 -15.2710 -15.2710 -15.2489 -15.2489 -15.2351 -15.2351 -7.2965 -7.2965 -2.3412 -2.3412 1.7728 1.7728 2.8982 2.8982 3.6423 3.6423 5.0519 5.0519 5.2869 5.2869 5.6890 5.6890 8.5683 8.5683 9.1220 9.1220 9.4133 9.4133 9.4262 9.4262 k = 0.1860-0.2970-0.1809 ( 4214 PWs) bands (ev): -34.3828 -34.3828 -34.3717 -34.3717 -15.6805 -15.6805 -15.6315 -15.6315 -15.3276 -15.3276 -15.2726 -15.2726 -15.2493 -15.2493 -15.2359 -15.2359 -7.2863 -7.2863 -2.3280 -2.3280 1.7873 1.7873 2.8435 2.8435 3.6165 3.6165 4.9928 4.9928 5.2737 5.2737 5.6788 5.6788 8.5344 8.5344 9.1536 9.1536 9.4145 9.4145 9.4750 9.4751 k = 0.1977-0.3156-0.1923 ( 4210 PWs) bands (ev): -34.3826 -34.3826 -34.3717 -34.3717 -15.6803 -15.6803 -15.6327 -15.6327 -15.3274 -15.3274 -15.2741 -15.2741 -15.2498 -15.2498 -15.2366 -15.2366 -7.2757 -7.2757 -2.3142 -2.3142 1.8010 1.8010 2.7882 2.7882 3.5917 3.5917 4.9336 4.9336 5.2612 5.2612 5.6686 5.6686 8.5009 8.5009 9.1819 9.1819 9.4098 9.4098 9.5297 9.5297 k = 0.2093-0.3342-0.2036 ( 4212 PWs) bands (ev): -34.3824 -34.3824 -34.3718 -34.3718 -15.6801 -15.6801 -15.6339 -15.6339 -15.3272 -15.3272 -15.2757 -15.2757 -15.2504 -15.2504 -15.2374 -15.2374 -7.2649 -7.2649 -2.2999 -2.2999 1.8134 1.8134 2.7330 2.7330 3.5679 3.5679 4.8748 4.8748 5.2494 5.2494 5.6585 5.6585 8.4680 8.4680 9.2070 9.2070 9.4046 9.4046 9.5850 9.5850 k = 0.2209-0.3527-0.2149 ( 4218 PWs) bands (ev): -34.3822 -34.3822 -34.3718 -34.3718 -15.6800 -15.6800 -15.6352 -15.6352 -15.3270 -15.3270 -15.2774 -15.2774 -15.2511 -15.2511 -15.2381 -15.2381 -7.2538 -7.2538 -2.2852 -2.2852 1.8240 1.8240 2.6789 2.6789 3.5450 3.5450 4.8165 4.8165 5.2380 5.2380 5.6486 5.6486 8.4360 8.4360 9.2284 9.2284 9.4000 9.4000 9.6400 9.6400 k = 0.2326-0.3713-0.2262 ( 4226 PWs) bands (ev): -34.3819 -34.3819 -34.3718 -34.3718 -15.6798 -15.6798 -15.6365 -15.6365 -15.3267 -15.3267 -15.2790 -15.2790 -15.2519 -15.2519 -15.2388 -15.2388 -7.2425 -7.2425 -2.2701 -2.2701 1.8322 1.8322 2.6269 2.6269 3.5230 3.5230 4.7589 4.7589 5.2271 5.2271 5.6390 5.6390 8.4052 8.4052 9.2456 9.2456 9.3970 9.3970 9.6934 9.6934 k = 0.2442-0.3899-0.2375 ( 4231 PWs) bands (ev): -34.3817 -34.3817 -34.3719 -34.3719 -15.6796 -15.6796 -15.6379 -15.6379 -15.3265 -15.3265 -15.2807 -15.2807 -15.2528 -15.2528 -15.2394 -15.2394 -7.2311 -7.2311 -2.2547 -2.2547 1.8374 1.8374 2.5780 2.5780 3.5020 3.5020 4.7023 4.7023 5.2168 5.2168 5.6296 5.6296 8.3756 8.3756 9.2577 9.2577 9.3966 9.3966 9.7434 9.7434 k = 0.2558-0.4084-0.2488 ( 4230 PWs) bands (ev): -34.3814 -34.3814 -34.3719 -34.3719 -15.6794 -15.6794 -15.6392 -15.6392 -15.3262 -15.3262 -15.2823 -15.2823 -15.2536 -15.2536 -15.2400 -15.2400 -7.2195 -7.2195 -2.2392 -2.2392 1.8386 1.8386 2.5333 2.5333 3.4818 3.4818 4.6465 4.6465 5.2072 5.2072 5.6205 5.6205 8.3474 8.3474 9.2639 9.2639 9.4000 9.4000 9.7883 9.7883 k = 0.2674-0.4270-0.2601 ( 4229 PWs) bands (ev): -34.3812 -34.3812 -34.3720 -34.3720 -15.6791 -15.6791 -15.6406 -15.6406 -15.3258 -15.3258 -15.2840 -15.2840 -15.2545 -15.2545 -15.2405 -15.2405 -7.2080 -7.2080 -2.2234 -2.2234 1.8354 1.8354 2.4939 2.4939 3.4626 3.4626 4.5918 4.5918 5.1982 5.1982 5.6117 5.6117 8.3205 8.3205 9.2638 9.2638 9.4072 9.4072 9.8271 9.8271 k = 0.2791-0.4456-0.2714 ( 4226 PWs) bands (ev): -34.3809 -34.3809 -34.3720 -34.3720 -15.6789 -15.6789 -15.6420 -15.6420 -15.3255 -15.3255 -15.2856 -15.2856 -15.2555 -15.2555 -15.2410 -15.2410 -7.1965 -7.1965 -2.2076 -2.2076 1.8270 1.8270 2.4605 2.4605 3.4443 3.4443 4.5380 4.5380 5.1901 5.1901 5.6032 5.6032 8.2951 8.2951 9.2583 9.2583 9.4177 9.4177 9.8604 9.8604 k = 0.2907-0.4641-0.2827 ( 4233 PWs) bands (ev): -34.3807 -34.3807 -34.3721 -34.3721 -15.6786 -15.6786 -15.6434 -15.6434 -15.3251 -15.3251 -15.2873 -15.2873 -15.2564 -15.2564 -15.2415 -15.2415 -7.1851 -7.1851 -2.1919 -2.1919 1.8133 1.8133 2.4337 2.4337 3.4269 3.4269 4.4853 4.4853 5.1828 5.1828 5.5951 5.5951 8.2711 8.2711 9.2484 9.2484 9.4305 9.4305 9.8895 9.8896 k = 0.3023-0.4827-0.2940 ( 4237 PWs) bands (ev): -34.3804 -34.3804 -34.3721 -34.3721 -15.6784 -15.6784 -15.6448 -15.6448 -15.3248 -15.3248 -15.2889 -15.2889 -15.2573 -15.2573 -15.2420 -15.2420 -7.1738 -7.1738 -2.1763 -2.1763 1.7942 1.7942 2.4136 2.4136 3.4105 3.4105 4.4337 4.4337 5.1765 5.1765 5.5874 5.5874 8.2486 8.2486 9.2356 9.2356 9.4447 9.4447 9.9147 9.9154 k = 0.3140-0.5013-0.3053 ( 4238 PWs) bands (ev): -34.3802 -34.3802 -34.3722 -34.3722 -15.6781 -15.6781 -15.6462 -15.6462 -15.3244 -15.3244 -15.2905 -15.2905 -15.2582 -15.2582 -15.2424 -15.2424 -7.1628 -7.1628 -2.1609 -2.1609 1.7705 1.7705 2.3999 2.3999 3.3951 3.3951 4.3833 4.3833 5.1711 5.1711 5.5801 5.5801 8.2276 8.2276 9.2207 9.2207 9.4594 9.4594 9.9341 9.9344 k = 0.3256-0.5198-0.3167 ( 4231 PWs) bands (ev): -34.3799 -34.3799 -34.3723 -34.3723 -15.6778 -15.6778 -15.6476 -15.6476 -15.3239 -15.3239 -15.2921 -15.2921 -15.2591 -15.2591 -15.2428 -15.2428 -7.1521 -7.1521 -2.1458 -2.1458 1.7430 1.7430 2.3918 2.3918 3.3807 3.3807 4.3342 4.3342 5.1667 5.1667 5.5731 5.5731 8.2080 8.2080 9.2047 9.2047 9.4743 9.4743 9.9501 9.9502 k = 0.3372-0.5384-0.3280 ( 4225 PWs) bands (ev): -34.3797 -34.3797 -34.3723 -34.3723 -15.6774 -15.6774 -15.6489 -15.6489 -15.3235 -15.3235 -15.2936 -15.2936 -15.2600 -15.2600 -15.2431 -15.2431 -7.1417 -7.1417 -2.1312 -2.1312 1.7127 1.7127 2.3884 2.3884 3.3673 3.3673 4.2865 4.2865 5.1632 5.1632 5.5666 5.5666 8.1899 8.1899 9.1881 9.1881 9.4891 9.4891 9.9677 9.9678 k = 0.3488-0.5570-0.3393 ( 4225 PWs) bands (ev): -34.3794 -34.3794 -34.3724 -34.3724 -15.6771 -15.6771 -15.6502 -15.6502 -15.3230 -15.3230 -15.2951 -15.2951 -15.2608 -15.2608 -15.2435 -15.2435 -7.1317 -7.1317 -2.1170 -2.1170 1.6808 1.6808 2.3888 2.3888 3.3550 3.3550 4.2404 4.2404 5.1606 5.1606 5.5604 5.5604 8.1731 8.1731 9.1715 9.1715 9.5036 9.5036 9.9887 9.9887 k = 0.3605-0.5755-0.3506 ( 4228 PWs) bands (ev): -34.3792 -34.3792 -34.3725 -34.3725 -15.6768 -15.6768 -15.6515 -15.6515 -15.3225 -15.3225 -15.2967 -15.2967 -15.2616 -15.2616 -15.2438 -15.2438 -7.1222 -7.1222 -2.1035 -2.1035 1.6483 1.6483 2.3920 2.3920 3.3437 3.3437 4.1961 4.1961 5.1588 5.1588 5.5547 5.5547 8.1577 8.1577 9.1554 9.1554 9.5178 9.5178 10.0135 10.0136 k = 0.3721-0.5941-0.3619 ( 4234 PWs) bands (ev): -34.3789 -34.3789 -34.3726 -34.3726 -15.6764 -15.6764 -15.6528 -15.6528 -15.3220 -15.3220 -15.2981 -15.2981 -15.2624 -15.2624 -15.2441 -15.2441 -7.1132 -7.1132 -2.0906 -2.0906 1.6160 1.6160 2.3972 2.3972 3.3335 3.3335 4.1537 4.1537 5.1578 5.1578 5.5494 5.5494 8.1437 8.1437 9.1401 9.1401 9.5318 9.5318 10.0421 10.0421 k = 0.3837-0.6127-0.3732 ( 4228 PWs) bands (ev): -34.3787 -34.3787 -34.3727 -34.3727 -15.6760 -15.6760 -15.6541 -15.6541 -15.3215 -15.3215 -15.2995 -15.2995 -15.2631 -15.2631 -15.2444 -15.2444 -7.1048 -7.1048 -2.0785 -2.0785 1.5848 1.5848 2.4038 2.4038 3.3244 3.3244 4.1135 4.1135 5.1574 5.1574 5.5446 5.5446 8.1310 8.1310 9.1257 9.1257 9.5454 9.5454 10.0743 10.0743 k = 0.3953-0.6312-0.3845 ( 4232 PWs) bands (ev): -34.3785 -34.3785 -34.3728 -34.3728 -15.6756 -15.6756 -15.6553 -15.6553 -15.3209 -15.3209 -15.3009 -15.3009 -15.2637 -15.2637 -15.2447 -15.2447 -7.0971 -7.0971 -2.0673 -2.0673 1.5551 1.5551 2.4113 2.4113 3.3164 3.3164 4.0758 4.0758 5.1576 5.1576 5.5402 5.5402 8.1196 8.1196 9.1126 9.1126 9.5589 9.5589 10.1096 10.1096 k = 0.4070-0.6498-0.3958 ( 4237 PWs) bands (ev): -34.3783 -34.3783 -34.3728 -34.3728 -15.6752 -15.6752 -15.6564 -15.6564 -15.3204 -15.3204 -15.3022 -15.3022 -15.2643 -15.2643 -15.2449 -15.2449 -7.0900 -7.0900 -2.0570 -2.0570 1.5276 1.5276 2.4191 2.4191 3.3095 3.3095 4.0408 4.0408 5.1581 5.1581 5.5362 5.5362 8.1095 8.1095 9.1007 9.1007 9.5721 9.5721 10.1477 10.1477 k = 0.4186-0.6684-0.4071 ( 4233 PWs) bands (ev): -34.3781 -34.3781 -34.3729 -34.3729 -15.6748 -15.6748 -15.6575 -15.6575 -15.3198 -15.3198 -15.3034 -15.3034 -15.2648 -15.2648 -15.2451 -15.2451 -7.0836 -7.0836 -2.0478 -2.0478 1.5025 1.5025 2.4268 2.4268 3.3036 3.3036 4.0089 4.0089 5.1590 5.1590 5.5327 5.5327 8.1007 8.1007 9.0902 9.0902 9.5850 9.5850 10.1878 10.1878 k = 0.4302-0.6869-0.4184 ( 4235 PWs) bands (ev): -34.3779 -34.3779 -34.3730 -34.3730 -15.6744 -15.6744 -15.6585 -15.6585 -15.3192 -15.3192 -15.3046 -15.3046 -15.2653 -15.2653 -15.2453 -15.2453 -7.0780 -7.0780 -2.0396 -2.0396 1.4803 1.4803 2.4342 2.4342 3.2988 3.2988 3.9803 3.9803 5.1600 5.1600 5.5296 5.5296 8.0930 8.0930 9.0811 9.0811 9.5973 9.5973 10.2293 10.2296 k = 0.4419-0.7055-0.4297 ( 4241 PWs) bands (ev): -34.3778 -34.3778 -34.3731 -34.3731 -15.6740 -15.6740 -15.6594 -15.6594 -15.3186 -15.3186 -15.3057 -15.3057 -15.2657 -15.2657 -15.2455 -15.2455 -7.0732 -7.0732 -2.0326 -2.0326 1.4611 1.4611 2.4409 2.4409 3.2948 3.2948 3.9554 3.9554 5.1611 5.1611 5.5270 5.5270 8.0866 8.0866 9.0734 9.0734 9.6089 9.6089 10.2705 10.2712 k = 0.4535-0.7240-0.4411 ( 4241 PWs) bands (ev): -34.3777 -34.3777 -34.3731 -34.3731 -15.6737 -15.6737 -15.6601 -15.6601 -15.3180 -15.3180 -15.3066 -15.3066 -15.2660 -15.2660 -15.2457 -15.2457 -7.0692 -7.0692 -2.0268 -2.0268 1.4451 1.4451 2.4467 2.4467 3.2918 3.2918 3.9346 3.9346 5.1621 5.1621 5.5249 5.5249 8.0814 8.0814 9.0672 9.0672 9.6192 9.6192 10.3076 10.3087 k = 0.4651-0.7426-0.4524 ( 4243 PWs) bands (ev): -34.3776 -34.3776 -34.3732 -34.3732 -15.6734 -15.6734 -15.6608 -15.6608 -15.3175 -15.3175 -15.3075 -15.3075 -15.2662 -15.2662 -15.2458 -15.2458 -7.0661 -7.0661 -2.0222 -2.0222 1.4326 1.4326 2.4515 2.4515 3.2895 3.2895 3.9180 3.9180 5.1630 5.1630 5.5232 5.5232 8.0773 8.0773 9.0623 9.0623 9.6279 9.6279 10.3310 10.3383 k = 0.4767-0.7612-0.4637 ( 4239 PWs) bands (ev): -34.3775 -34.3775 -34.3732 -34.3732 -15.6731 -15.6731 -15.6612 -15.6612 -15.3171 -15.3171 -15.3081 -15.3081 -15.2664 -15.2664 -15.2458 -15.2458 -7.0639 -7.0639 -2.0189 -2.0189 1.4235 1.4235 2.4550 2.4550 3.2879 3.2879 3.9059 3.9059 5.1637 5.1637 5.5220 5.5220 8.0745 8.0745 9.0588 9.0588 9.6346 9.6346 10.3505 10.3537 k = 0.4884-0.7797-0.4750 ( 4243 PWs) bands (ev): -34.3774 -34.3774 -34.3733 -34.3733 -15.6730 -15.6730 -15.6615 -15.6615 -15.3168 -15.3168 -15.3085 -15.3085 -15.2665 -15.2665 -15.2459 -15.2459 -7.0625 -7.0625 -2.0169 -2.0169 1.4181 1.4181 2.4571 2.4571 3.2870 3.2870 3.8986 3.8986 5.1641 5.1641 5.5213 5.5213 8.0727 8.0727 9.0568 9.0568 9.6388 9.6388 10.3632 10.3678 k = 0.5000-0.7983-0.4863 ( 4246 PWs) bands (ev): -34.3774 -34.3774 -34.3733 -34.3733 -15.6729 -15.6729 -15.6616 -15.6616 -15.3167 -15.3167 -15.3087 -15.3087 -15.2666 -15.2666 -15.2459 -15.2459 -7.0621 -7.0621 -2.0163 -2.0163 1.4162 1.4162 2.4578 2.4578 3.2867 3.2867 3.8962 3.8962 5.1643 5.1643 5.5211 5.5211 8.0721 8.0721 9.0561 9.0561 9.6402 9.6402 10.3676 10.3709 k = 0.5000-0.7983-0.4863 ( 4246 PWs) bands (ev): -34.3774 -34.3774 -34.3733 -34.3733 -15.6729 -15.6729 -15.6616 -15.6616 -15.3167 -15.3167 -15.3087 -15.3087 -15.2666 -15.2666 -15.2459 -15.2459 -7.0621 -7.0621 -2.0163 -2.0163 1.4162 1.4162 2.4578 2.4578 3.2867 3.2867 3.8962 3.8962 5.1643 5.1643 5.5211 5.5211 8.0721 8.0721 9.0561 9.0561 9.6402 9.6402 10.3676 10.3685 k = 0.5000-0.7858-0.5068 ( 4248 PWs) bands (ev): -34.3774 -34.3774 -34.3733 -34.3733 -15.6729 -15.6729 -15.6617 -15.6617 -15.3168 -15.3168 -15.3086 -15.3086 -15.2666 -15.2666 -15.2459 -15.2459 -7.0620 -7.0620 -2.0161 -2.0161 1.4169 1.4169 2.4579 2.4579 3.2833 3.2833 3.8976 3.8976 5.1651 5.1651 5.5182 5.5182 8.0753 8.0753 9.0612 9.0612 9.6403 9.6403 10.3561 10.3592 k = 0.5000-0.7733-0.5273 ( 4244 PWs) bands (ev): -34.3774 -34.3774 -34.3733 -34.3733 -15.6729 -15.6729 -15.6617 -15.6617 -15.3169 -15.3169 -15.3084 -15.3084 -15.2667 -15.2667 -15.2460 -15.2460 -7.0615 -7.0615 -2.0155 -2.0155 1.4187 1.4187 2.4581 2.4581 3.2729 3.2729 3.9018 3.9018 5.1677 5.1677 5.5094 5.5094 8.0845 8.0845 9.0765 9.0765 9.6405 9.6405 10.3216 10.3217 k = 0.5000-0.7609-0.5478 ( 4238 PWs) bands (ev): -34.3774 -34.3774 -34.3733 -34.3733 -15.6729 -15.6729 -15.6617 -15.6617 -15.3172 -15.3172 -15.3081 -15.3081 -15.2668 -15.2668 -15.2461 -15.2461 -7.0609 -7.0609 -2.0144 -2.0144 1.4217 1.4217 2.4585 2.4585 3.2560 3.2560 3.9087 3.9087 5.1719 5.1719 5.4951 5.4951 8.0999 8.0999 9.1017 9.1017 9.6407 9.6407 10.2739 10.2740 k = 0.5000-0.7484-0.5683 ( 4238 PWs) bands (ev): -34.3773 -34.3773 -34.3733 -34.3733 -15.6728 -15.6728 -15.6618 -15.6618 -15.3176 -15.3176 -15.3076 -15.3076 -15.2669 -15.2669 -15.2462 -15.2462 -7.0599 -7.0599 -2.0130 -2.0130 1.4260 1.4260 2.4589 2.4589 3.2330 3.2330 3.9181 3.9181 5.1777 5.1777 5.4754 5.4754 8.1210 8.1210 9.1364 9.1364 9.6409 9.6409 10.2174 10.2174 k = 0.5000-0.7359-0.5888 ( 4240 PWs) bands (ev): -34.3773 -34.3773 -34.3733 -34.3733 -15.6728 -15.6728 -15.6619 -15.6619 -15.3181 -15.3181 -15.3071 -15.3071 -15.2671 -15.2671 -15.2465 -15.2465 -7.0587 -7.0587 -2.0112 -2.0112 1.4314 1.4314 2.4594 2.4594 3.2046 3.2046 3.9299 3.9299 5.1848 5.1848 5.4506 5.4506 8.1476 8.1476 9.1799 9.1799 9.6407 9.6407 10.1562 10.1562 k = 0.5000-0.7234-0.6092 ( 4236 PWs) bands (ev): -34.3772 -34.3772 -34.3734 -34.3734 -15.6727 -15.6727 -15.6620 -15.6620 -15.3186 -15.3186 -15.3065 -15.3065 -15.2674 -15.2674 -15.2467 -15.2467 -7.0573 -7.0573 -2.0090 -2.0090 1.4379 1.4379 2.4598 2.4598 3.1715 3.1715 3.9440 3.9440 5.1932 5.1932 5.4213 5.4213 8.1795 8.1795 9.2315 9.2315 9.6400 9.6400 10.0924 10.0924 k = 0.5000-0.7109-0.6297 ( 4232 PWs) bands (ev): -34.3772 -34.3772 -34.3734 -34.3734 -15.6727 -15.6727 -15.6621 -15.6621 -15.3191 -15.3191 -15.3059 -15.3059 -15.2676 -15.2676 -15.2469 -15.2469 -7.0556 -7.0556 -2.0065 -2.0065 1.4455 1.4455 2.4600 2.4600 3.1344 3.1344 3.9602 3.9602 5.2026 5.2026 5.3878 5.3878 8.2162 8.2162 9.2899 9.2899 9.6383 9.6383 10.0274 10.0274 k = 0.5000-0.6984-0.6502 ( 4232 PWs) bands (ev): -34.3771 -34.3771 -34.3734 -34.3734 -15.6726 -15.6726 -15.6623 -15.6623 -15.3196 -15.3196 -15.3053 -15.3053 -15.2680 -15.2680 -15.2472 -15.2472 -7.0538 -7.0538 -2.0037 -2.0037 1.4542 1.4542 2.4598 2.4598 3.0942 3.0942 3.9783 3.9783 5.2129 5.2129 5.3507 5.3507 8.2573 8.2573 9.3535 9.3535 9.6351 9.6351 9.9622 9.9622 k = 0.5000-0.6860-0.6707 ( 4238 PWs) bands (ev): -34.3770 -34.3770 -34.3735 -34.3735 -15.6726 -15.6726 -15.6625 -15.6625 -15.3202 -15.3202 -15.3046 -15.3046 -15.2684 -15.2684 -15.2476 -15.2476 -7.0517 -7.0517 -2.0006 -2.0006 1.4639 1.4639 2.4592 2.4592 3.0518 3.0518 3.9984 3.9984 5.2237 5.2237 5.3107 5.3107 8.3024 8.3024 9.4197 9.4197 9.6299 9.6299 9.8973 9.8973 k = 0.5000-0.6735-0.6912 ( 4240 PWs) bands (ev): -34.3769 -34.3769 -34.3735 -34.3735 -15.6725 -15.6725 -15.6627 -15.6627 -15.3207 -15.3207 -15.3039 -15.3039 -15.2688 -15.2688 -15.2479 -15.2479 -7.0496 -7.0496 -1.9973 -1.9973 1.4744 1.4744 2.4579 2.4579 3.0080 3.0080 4.0203 4.0203 5.2339 5.2339 5.2693 5.2693 8.3511 8.3511 9.4842 9.4842 9.6233 9.6233 9.8335 9.8335 k = 0.5000-0.6610-0.7117 ( 4232 PWs) bands (ev): -34.3768 -34.3768 -34.3736 -34.3736 -15.6724 -15.6724 -15.6629 -15.6629 -15.3213 -15.3213 -15.3032 -15.3032 -15.2692 -15.2692 -15.2482 -15.2482 -7.0472 -7.0472 -1.9938 -1.9938 1.4858 1.4858 2.4555 2.4555 2.9638 2.9638 4.0439 4.0439 5.2186 5.2186 5.2519 5.2519 8.4028 8.4028 9.5353 9.5353 9.6212 9.6212 9.7713 9.7713 k = 0.5000-0.6485-0.7322 ( 4232 PWs) bands (ev): -34.3767 -34.3767 -34.3736 -34.3736 -15.6722 -15.6722 -15.6632 -15.6632 -15.3218 -15.3218 -15.3025 -15.3025 -15.2697 -15.2697 -15.2485 -15.2485 -7.0448 -7.0448 -1.9901 -1.9901 1.4979 1.4979 2.4517 2.4517 2.9202 2.9202 4.0692 4.0692 5.1736 5.1736 5.2627 5.2627 8.4572 8.4572 9.5486 9.5486 9.6411 9.6411 9.7119 9.7119 k = 0.5000-0.6360-0.7527 ( 4234 PWs) bands (ev): -34.3766 -34.3766 -34.3737 -34.3737 -15.6721 -15.6721 -15.6635 -15.6635 -15.3223 -15.3223 -15.3018 -15.3018 -15.2702 -15.2702 -15.2489 -15.2489 -7.0424 -7.0424 -1.9863 -1.9863 1.5105 1.5105 2.4461 2.4461 2.8781 2.8781 4.0962 4.0962 5.1260 5.1260 5.2754 5.2754 8.5136 8.5136 9.5294 9.5294 9.6466 9.6466 9.6812 9.6812 k = 0.5000-0.6235-0.7732 ( 4238 PWs) bands (ev): -34.3765 -34.3765 -34.3738 -34.3738 -15.6720 -15.6720 -15.6638 -15.6638 -15.3228 -15.3228 -15.3011 -15.3011 -15.2708 -15.2708 -15.2492 -15.2492 -7.0399 -7.0399 -1.9825 -1.9825 1.5235 1.5235 2.4383 2.4383 2.8386 2.8386 4.1246 4.1246 5.0774 5.0774 5.2884 5.2884 8.5714 8.5714 9.4969 9.4969 9.5948 9.5948 9.7028 9.7028 k = 0.5000-0.6111-0.7937 ( 4238 PWs) bands (ev): -34.3764 -34.3764 -34.3738 -34.3738 -15.6718 -15.6718 -15.6641 -15.6641 -15.3233 -15.3233 -15.3004 -15.3004 -15.2714 -15.2714 -15.2495 -15.2495 -7.0374 -7.0374 -1.9787 -1.9787 1.5368 1.5368 2.4280 2.4280 2.8027 2.8027 4.1545 4.1545 5.0285 5.0285 5.3016 5.3016 8.6298 8.6298 9.4571 9.4571 9.5435 9.5435 9.7175 9.7175 k = 0.5000-0.5986-0.8142 ( 4242 PWs) bands (ev): -34.3763 -34.3763 -34.3739 -34.3739 -15.6717 -15.6717 -15.6644 -15.6644 -15.3237 -15.3237 -15.2998 -15.2998 -15.2719 -15.2719 -15.2498 -15.2498 -7.0349 -7.0349 -1.9749 -1.9749 1.5500 1.5500 2.4148 2.4148 2.7712 2.7712 4.1859 4.1859 4.9797 4.9797 5.3148 5.3148 8.6876 8.6876 9.4122 9.4122 9.4966 9.4966 9.7256 9.7256 k = 0.5000-0.5861-0.8347 ( 4242 PWs) bands (ev): -34.3762 -34.3762 -34.3740 -34.3740 -15.6715 -15.6715 -15.6648 -15.6648 -15.3241 -15.3241 -15.2992 -15.2992 -15.2725 -15.2725 -15.2501 -15.2501 -7.0326 -7.0326 -1.9713 -1.9713 1.5629 1.5629 2.3989 2.3989 2.7444 2.7444 4.2185 4.2185 4.9315 4.9315 5.3279 5.3279 8.7435 8.7435 9.3636 9.3636 9.4555 9.4555 9.7297 9.7297 k = 0.5000-0.5736-0.8552 ( 4238 PWs) bands (ev): -34.3760 -34.3760 -34.3741 -34.3741 -15.6713 -15.6713 -15.6651 -15.6651 -15.3245 -15.3245 -15.2986 -15.2986 -15.2730 -15.2730 -15.2503 -15.2503 -7.0303 -7.0303 -1.9678 -1.9678 1.5752 1.5752 2.3809 2.3809 2.7224 2.7224 4.2523 4.2523 4.8842 4.8842 5.3409 5.3409 8.7952 8.7952 9.3121 9.3121 9.4224 9.4224 9.7315 9.7315 k = 0.5000-0.5611-0.8756 ( 4232 PWs) bands (ev): -34.3759 -34.3759 -34.3742 -34.3742 -15.6710 -15.6710 -15.6655 -15.6655 -15.3248 -15.3248 -15.2981 -15.2981 -15.2735 -15.2735 -15.2505 -15.2505 -7.0283 -7.0283 -1.9645 -1.9645 1.5865 1.5865 2.3616 2.3616 2.7050 2.7050 4.2874 4.2874 4.8383 4.8383 5.3536 5.3536 8.8398 8.8398 9.2583 9.2583 9.4000 9.4001 9.7319 9.7319 k = 0.5000-0.5486-0.8961 ( 4236 PWs) bands (ev): -34.3757 -34.3757 -34.3743 -34.3743 -15.6708 -15.6708 -15.6659 -15.6659 -15.3251 -15.3251 -15.2976 -15.2976 -15.2740 -15.2740 -15.2506 -15.2506 -7.0264 -7.0264 -1.9616 -1.9616 1.5966 1.5966 2.3422 2.3422 2.6914 2.6914 4.3234 4.3234 4.7940 4.7940 5.3659 5.3659 8.8739 8.8739 9.2027 9.2027 9.3918 9.3918 9.7317 9.7317 k = 0.5000-0.5362-0.9166 ( 4236 PWs) bands (ev): -34.3756 -34.3756 -34.3744 -34.3744 -15.6705 -15.6705 -15.6663 -15.6663 -15.3254 -15.3254 -15.2973 -15.2973 -15.2744 -15.2744 -15.2508 -15.2508 -7.0247 -7.0247 -1.9590 -1.9590 1.6049 1.6049 2.3241 2.3241 2.6810 2.6810 4.3604 4.3604 4.7518 4.7518 5.3777 5.3777 8.8943 8.8943 9.1457 9.1457 9.4005 9.4005 9.7314 9.7314 k = 0.5000-0.5237-0.9371 ( 4232 PWs) bands (ev): -34.3755 -34.3755 -34.3745 -34.3745 -15.6703 -15.6703 -15.6667 -15.6667 -15.3256 -15.3256 -15.2970 -15.2970 -15.2747 -15.2747 -15.2509 -15.2509 -7.0234 -7.0234 -1.9568 -1.9568 1.6112 1.6112 2.3084 2.3084 2.6729 2.6729 4.3983 4.3983 4.7119 4.7119 5.3890 5.3890 8.9005 8.9005 9.0876 9.0876 9.4266 9.4266 9.7317 9.7317 k = 0.5000-0.5112-0.9576 ( 4232 PWs) bands (ev): -34.3753 -34.3753 -34.3747 -34.3747 -15.6700 -15.6700 -15.6670 -15.6670 -15.3257 -15.3257 -15.2968 -15.2968 -15.2749 -15.2749 -15.2509 -15.2509 -7.0224 -7.0224 -1.9551 -1.9551 1.6153 1.6153 2.2961 2.2961 2.6667 2.6667 4.4369 4.4369 4.6746 4.6746 5.3996 5.3996 8.8944 8.8944 9.0287 9.0287 9.4678 9.4678 9.7328 9.7328 k = 0.5000-0.4987-0.9781 ( 4230 PWs) bands (ev): -34.3752 -34.3752 -34.3748 -34.3748 -15.6698 -15.6698 -15.6673 -15.6673 -15.3258 -15.3258 -15.2967 -15.2967 -15.2750 -15.2750 -15.2509 -15.2509 -7.0217 -7.0217 -1.9539 -1.9539 1.6169 1.6169 2.2878 2.2878 2.6618 2.6618 4.4762 4.4762 4.6402 4.6402 5.4094 5.4094 8.8796 8.8796 8.9695 8.9695 9.5203 9.5203 9.7353 9.7353 k = 0.5000-0.4862-0.9986 ( 4220 PWs) bands (ev): -34.3750 -34.3750 -34.3749 -34.3749 -15.6697 -15.6697 -15.6674 -15.6674 -15.3259 -15.3259 -15.2967 -15.2967 -15.2749 -15.2749 -15.2509 -15.2509 -7.0214 -7.0214 -1.9533 -1.9533 1.6163 1.6163 2.2839 2.2839 2.6580 2.6580 4.5159 4.5159 4.6091 4.6091 5.4182 5.4182 8.8593 8.8593 8.9103 8.9103 9.5804 9.5804 9.7394 9.7394 k = 0.5000-0.4738-1.0191 ( 4218 PWs) bands (ev): -34.3751 -34.3751 -34.3748 -34.3748 -15.6698 -15.6698 -15.6673 -15.6673 -15.3259 -15.3259 -15.2968 -15.2968 -15.2748 -15.2748 -15.2508 -15.2508 -7.0215 -7.0215 -1.9533 -1.9533 1.6135 1.6135 2.2844 2.2844 2.6551 2.6551 4.5550 4.5550 4.5822 4.5822 5.4260 5.4260 8.8357 8.8357 8.8517 8.8517 9.6451 9.6451 9.7454 9.7455 k = 0.5000-0.4613-1.0396 ( 4222 PWs) bands (ev): -34.3753 -34.3753 -34.3747 -34.3747 -15.6700 -15.6700 -15.6671 -15.6671 -15.3259 -15.3259 -15.2970 -15.2970 -15.2745 -15.2745 -15.2507 -15.2507 -7.0221 -7.0221 -1.9541 -1.9541 1.6091 1.6091 2.2890 2.2890 2.6530 2.6530 4.5547 4.5547 4.5985 4.5985 5.4325 5.4325 8.7924 8.7924 8.8124 8.8124 9.7119 9.7119 9.7536 9.7536 k = 0.5000-0.4488-1.0601 ( 4228 PWs) bands (ev): -34.3754 -34.3754 -34.3746 -34.3746 -15.6704 -15.6704 -15.6667 -15.6667 -15.3258 -15.3258 -15.2973 -15.2973 -15.2742 -15.2742 -15.2506 -15.2506 -7.0232 -7.0232 -1.9556 -1.9556 1.6035 1.6035 2.2972 2.2972 2.6520 2.6520 4.5342 4.5342 4.6389 4.6389 5.4377 5.4377 8.7355 8.7355 8.7877 8.7877 9.7632 9.7632 9.7796 9.7796 k = 0.8145-0.3584-0.8851 ( 4228 PWs) bands (ev): -34.3754 -34.3754 -34.3746 -34.3746 -15.6704 -15.6704 -15.6667 -15.6667 -15.3258 -15.3258 -15.2973 -15.2973 -15.2742 -15.2742 -15.2506 -15.2506 -7.0232 -7.0232 -1.9556 -1.9556 1.6035 1.6035 2.2972 2.2972 2.6520 2.6520 4.5342 4.5342 4.6389 4.6389 5.4377 5.4377 8.7355 8.7355 8.7877 8.7877 9.7632 9.7632 9.7796 9.7796 k = 0.8076-0.3475-0.8639 ( 4224 PWs) bands (ev): -34.3756 -34.3756 -34.3744 -34.3744 -15.6707 -15.6707 -15.6662 -15.6662 -15.3257 -15.3257 -15.2976 -15.2976 -15.2737 -15.2737 -15.2504 -15.2504 -7.0249 -7.0249 -1.9579 -1.9579 1.5972 1.5972 2.3086 2.3086 2.6522 2.6522 4.5163 4.5163 4.6812 4.6812 5.4415 5.4415 8.6781 8.6781 8.7632 8.7632 9.7760 9.7760 9.8468 9.8468 k = 0.8008-0.3366-0.8428 ( 4228 PWs) bands (ev): -34.3758 -34.3758 -34.3743 -34.3743 -15.6712 -15.6712 -15.6657 -15.6657 -15.3255 -15.3255 -15.2979 -15.2979 -15.2731 -15.2731 -15.2503 -15.2503 -7.0271 -7.0271 -1.9612 -1.9612 1.5910 1.5910 2.3219 2.3219 2.6542 2.6542 4.5023 4.5023 4.7237 4.7237 5.4436 5.4436 8.6227 8.6227 8.7401 8.7401 9.7904 9.7904 9.9102 9.9102 k = 0.7940-0.3257-0.8216 ( 4224 PWs) bands (ev): -34.3760 -34.3760 -34.3741 -34.3741 -15.6716 -15.6716 -15.6650 -15.6650 -15.3253 -15.3253 -15.2983 -15.2983 -15.2725 -15.2725 -15.2500 -15.2500 -7.0299 -7.0299 -1.9653 -1.9653 1.5854 1.5854 2.3361 2.3361 2.6587 2.6587 4.4921 4.4921 4.7661 4.7661 5.4438 5.4438 8.5696 8.5696 8.7188 8.7188 9.8064 9.8064 9.9669 9.9669 k = 0.7871-0.3148-0.8005 ( 4222 PWs) bands (ev): -34.3762 -34.3762 -34.3740 -34.3740 -15.6720 -15.6720 -15.6643 -15.6643 -15.3251 -15.3251 -15.2987 -15.2987 -15.2717 -15.2717 -15.2498 -15.2498 -7.0333 -7.0333 -1.9704 -1.9704 1.5810 1.5810 2.3500 2.3500 2.6663 2.6663 4.4858 4.4858 4.8084 4.8084 5.4419 5.4419 8.5193 8.5193 8.6996 8.6996 9.8234 9.8234 10.0136 10.0136 k = 0.7803-0.3039-0.7794 ( 4222 PWs) bands (ev): -34.3764 -34.3764 -34.3738 -34.3738 -15.6725 -15.6725 -15.6635 -15.6635 -15.3248 -15.3248 -15.2990 -15.2990 -15.2709 -15.2709 -15.2495 -15.2495 -7.0374 -7.0374 -1.9765 -1.9765 1.5782 1.5782 2.3627 2.3627 2.6777 2.6777 4.4833 4.4833 4.8505 4.8505 5.4378 5.4378 8.4721 8.4721 8.6826 8.6826 9.8408 9.8408 10.0467 10.0467 k = 0.7735-0.2929-0.7582 ( 4220 PWs) bands (ev): -34.3766 -34.3766 -34.3737 -34.3737 -15.6729 -15.6729 -15.6627 -15.6627 -15.3246 -15.3246 -15.2993 -15.2993 -15.2701 -15.2701 -15.2492 -15.2492 -7.0420 -7.0420 -1.9836 -1.9836 1.5775 1.5775 2.3732 2.3732 2.6935 2.6935 4.4845 4.4845 4.8922 4.8922 5.4315 5.4315 8.4283 8.4283 8.6680 8.6680 9.8579 9.8579 10.0642 10.0642 k = 0.7666-0.2820-0.7371 ( 4218 PWs) bands (ev): -34.3768 -34.3768 -34.3735 -34.3735 -15.6733 -15.6733 -15.6619 -15.6619 -15.3243 -15.3243 -15.2995 -15.2995 -15.2692 -15.2692 -15.2488 -15.2488 -7.0473 -7.0473 -1.9917 -1.9917 1.5790 1.5790 2.3812 2.3812 2.7139 2.7139 4.4892 4.4892 4.9334 4.9334 5.4227 5.4227 8.3882 8.3882 8.6559 8.6559 9.8735 9.8735 10.0663 10.0663 k = 0.7598-0.2711-0.7159 ( 4218 PWs) bands (ev): -34.3771 -34.3771 -34.3734 -34.3734 -15.6737 -15.6737 -15.6610 -15.6610 -15.3241 -15.3241 -15.2996 -15.2996 -15.2683 -15.2683 -15.2485 -15.2485 -7.0532 -7.0532 -2.0008 -2.0008 1.5830 1.5830 2.3867 2.3867 2.7389 2.7389 4.4974 4.4974 4.9740 4.9740 5.4115 5.4115 8.3520 8.3520 8.6465 8.6465 9.8866 9.8866 10.0559 10.0559 k = 0.7529-0.2602-0.6948 ( 4222 PWs) bands (ev): -34.3773 -34.3773 -34.3733 -34.3733 -15.6741 -15.6741 -15.6600 -15.6600 -15.3238 -15.3238 -15.2997 -15.2997 -15.2674 -15.2674 -15.2481 -15.2481 -7.0597 -7.0597 -2.0109 -2.0109 1.5897 1.5897 2.3899 2.3899 2.7680 2.7680 4.5088 4.5088 5.0140 5.0140 5.3978 5.3978 8.3201 8.3201 8.6397 8.6397 9.8961 9.8961 10.0367 10.0367 k = 0.7461-0.2493-0.6736 ( 4216 PWs) bands (ev): -34.3776 -34.3776 -34.3732 -34.3732 -15.6745 -15.6745 -15.6590 -15.6590 -15.3236 -15.3236 -15.2996 -15.2996 -15.2664 -15.2664 -15.2477 -15.2477 -7.0668 -7.0668 -2.0220 -2.0220 1.5991 1.5991 2.3915 2.3915 2.8007 2.8007 4.5233 4.5233 5.0532 5.0532 5.3815 5.3815 8.2925 8.2925 8.6356 8.6356 9.9008 9.9008 10.0119 10.0119 k = 0.7393-0.2384-0.6525 ( 4226 PWs) bands (ev): -34.3778 -34.3778 -34.3730 -34.3730 -15.6748 -15.6748 -15.6579 -15.6579 -15.3234 -15.3234 -15.2994 -15.2994 -15.2655 -15.2655 -15.2473 -15.2473 -7.0745 -7.0745 -2.0340 -2.0340 1.6111 1.6111 2.3921 2.3921 2.8363 2.8363 4.5407 4.5407 5.0915 5.0915 5.3628 5.3628 8.2694 8.2694 8.6342 8.6342 9.8997 9.8997 9.9838 9.9838 k = 0.7324-0.2275-0.6314 ( 4228 PWs) bands (ev): -34.3781 -34.3781 -34.3729 -34.3729 -15.6752 -15.6752 -15.6568 -15.6568 -15.3233 -15.3233 -15.2990 -15.2990 -15.2645 -15.2645 -15.2468 -15.2468 -7.0827 -7.0827 -2.0470 -2.0470 1.6259 1.6259 2.3922 2.3922 2.8742 2.8742 4.5608 4.5608 5.1288 5.1288 5.3416 5.3416 8.2508 8.2508 8.6355 8.6355 9.8921 9.8921 9.9541 9.9541 k = 0.7256-0.2165-0.6102 ( 4234 PWs) bands (ev): -34.3783 -34.3783 -34.3728 -34.3728 -15.6755 -15.6755 -15.6557 -15.6557 -15.3232 -15.3232 -15.2985 -15.2985 -15.2635 -15.2635 -15.2464 -15.2464 -7.0915 -7.0915 -2.0609 -2.0609 1.6431 1.6431 2.3926 2.3926 2.9139 2.9139 4.5836 4.5836 5.1650 5.1650 5.3181 5.3181 8.2369 8.2369 8.6396 8.6396 9.8779 9.8779 9.9237 9.9237 k = 0.7188-0.2056-0.5891 ( 4236 PWs) bands (ev): -34.3786 -34.3786 -34.3727 -34.3727 -15.6758 -15.6758 -15.6546 -15.6546 -15.3232 -15.3232 -15.2979 -15.2979 -15.2625 -15.2625 -15.2459 -15.2459 -7.1007 -7.1007 -2.0757 -2.0757 1.6627 1.6627 2.3939 2.3939 2.9550 2.9550 4.6087 4.6087 5.1996 5.1996 5.2927 5.2927 8.2276 8.2276 8.6462 8.6462 9.8577 9.8577 9.8935 9.8935 k = 0.7119-0.1947-0.5679 ( 4238 PWs) bands (ev): -34.3788 -34.3788 -34.3726 -34.3726 -15.6760 -15.6760 -15.6534 -15.6534 -15.3232 -15.3232 -15.2972 -15.2972 -15.2615 -15.2615 -15.2455 -15.2455 -7.1104 -7.1104 -2.0912 -2.0912 1.6844 1.6844 2.3964 2.3964 2.9970 2.9970 4.6361 4.6361 5.2308 5.2308 5.2674 5.2674 8.2229 8.2229 8.6555 8.6555 9.8326 9.8326 9.8638 9.8638 k = 0.7051-0.1838-0.5468 ( 4240 PWs) bands (ev): -34.3791 -34.3791 -34.3725 -34.3725 -15.6763 -15.6763 -15.6521 -15.6521 -15.3232 -15.3232 -15.2963 -15.2963 -15.2605 -15.2605 -15.2450 -15.2450 -7.1206 -7.1206 -2.1075 -2.1075 1.7079 1.7079 2.4008 2.4008 3.0397 3.0397 4.6655 4.6655 5.2289 5.2289 5.2719 5.2719 8.2226 8.2226 8.6672 8.6672 9.8043 9.8043 9.8347 9.8347 k = 0.6983-0.1729-0.5256 ( 4234 PWs) bands (ev): -34.3794 -34.3794 -34.3725 -34.3725 -15.6765 -15.6765 -15.6509 -15.6509 -15.3232 -15.3232 -15.2953 -15.2953 -15.2595 -15.2595 -15.2444 -15.2444 -7.1311 -7.1311 -2.1244 -2.1244 1.7328 1.7328 2.4075 2.4075 3.0826 3.0826 4.6969 4.6969 5.1992 5.1992 5.3010 5.3010 8.2266 8.2266 8.6813 8.6813 9.7742 9.7742 9.8066 9.8066 k = 0.6914-0.1620-0.5045 ( 4236 PWs) bands (ev): -34.3796 -34.3796 -34.3724 -34.3724 -15.6767 -15.6767 -15.6496 -15.6496 -15.3233 -15.3233 -15.2943 -15.2943 -15.2585 -15.2585 -15.2439 -15.2439 -7.1419 -7.1419 -2.1419 -2.1419 1.7586 1.7586 2.4170 2.4170 3.1256 3.1256 4.7300 4.7300 5.1661 5.1661 5.3305 5.3305 8.2348 8.2348 8.6977 8.6977 9.7433 9.7433 9.7798 9.7798 k = 0.6846-0.1510-0.4834 ( 4234 PWs) bands (ev): -34.3799 -34.3799 -34.3723 -34.3723 -15.6769 -15.6769 -15.6483 -15.6483 -15.3234 -15.3234 -15.2931 -15.2931 -15.2575 -15.2575 -15.2434 -15.2434 -7.1530 -7.1530 -2.1600 -2.1600 1.7850 1.7850 2.4299 2.4299 3.1684 3.1684 4.7648 4.7648 5.1314 5.1314 5.3588 5.3588 8.2470 8.2470 8.7161 8.7161 9.7128 9.7128 9.7546 9.7546 k = 0.6777-0.1401-0.4622 ( 4236 PWs) bands (ev): -34.3802 -34.3802 -34.3722 -34.3722 -15.6770 -15.6770 -15.6470 -15.6470 -15.3235 -15.3235 -15.2918 -15.2918 -15.2565 -15.2565 -15.2428 -15.2428 -7.1643 -7.1643 -2.1785 -2.1785 1.8113 1.8113 2.4465 2.4465 3.2108 3.2108 4.8011 4.8011 5.0954 5.0954 5.3857 5.3857 8.2628 8.2628 8.7365 8.7365 9.6835 9.6835 9.7311 9.7311 k = 0.6709-0.1292-0.4411 ( 4234 PWs) bands (ev): -34.3804 -34.3804 -34.3722 -34.3722 -15.6772 -15.6772 -15.6457 -15.6457 -15.3236 -15.3236 -15.2905 -15.2905 -15.2556 -15.2556 -15.2422 -15.2422 -7.1757 -7.1757 -2.1973 -2.1973 1.8371 1.8371 2.4673 2.4673 3.2527 3.2527 4.8386 4.8386 5.0585 5.0585 5.4110 5.4110 8.2821 8.2821 8.7585 8.7585 9.6561 9.6561 9.7093 9.7093 k = 0.6641-0.1183-0.4199 ( 4234 PWs) bands (ev): -34.3807 -34.3807 -34.3721 -34.3721 -15.6773 -15.6773 -15.6444 -15.6444 -15.3237 -15.3237 -15.2891 -15.2891 -15.2547 -15.2547 -15.2416 -15.2416 -7.1873 -7.1873 -2.2163 -2.2163 1.8618 1.8618 2.4926 2.4926 3.2939 3.2939 4.8771 4.8771 5.0210 5.0210 5.4348 5.4348 8.3046 8.3046 8.7821 8.7821 9.6311 9.6311 9.6891 9.6891 k = 0.6572-0.1074-0.3988 ( 4232 PWs) bands (ev): -34.3810 -34.3810 -34.3721 -34.3721 -15.6774 -15.6774 -15.6430 -15.6430 -15.3238 -15.3238 -15.2877 -15.2877 -15.2538 -15.2538 -15.2410 -15.2410 -7.1990 -7.1990 -2.2356 -2.2356 1.8851 1.8851 2.5227 2.5227 3.3343 3.3343 4.9157 4.9157 4.9840 4.9840 5.4569 5.4569 8.3298 8.3298 8.8070 8.8070 9.6089 9.6089 9.6704 9.6704 k = 0.6504-0.0965-0.3776 ( 4230 PWs) bands (ev): -34.3812 -34.3812 -34.3720 -34.3720 -15.6775 -15.6775 -15.6417 -15.6417 -15.3239 -15.3239 -15.2862 -15.2862 -15.2530 -15.2530 -15.2404 -15.2404 -7.2106 -7.2106 -2.2548 -2.2548 1.9066 1.9066 2.5574 2.5574 3.3737 3.3737 4.9355 4.9355 4.9664 4.9664 5.4775 5.4775 8.3574 8.3574 8.8330 8.8330 9.5898 9.5898 9.6528 9.6528 k = 0.6436-0.0856-0.3565 ( 4228 PWs) bands (ev): -34.3815 -34.3815 -34.3720 -34.3720 -15.6775 -15.6775 -15.6405 -15.6405 -15.3239 -15.3239 -15.2847 -15.2847 -15.2523 -15.2523 -15.2397 -15.2397 -7.2222 -7.2222 -2.2741 -2.2741 1.9263 1.9263 2.5969 2.5969 3.4122 3.4122 4.9022 4.9022 5.0026 5.0026 5.4964 5.4964 8.3871 8.3871 8.8598 8.8598 9.5738 9.5738 9.6360 9.6360 k = 0.6367-0.0746-0.3354 ( 4232 PWs) bands (ev): -34.3817 -34.3817 -34.3719 -34.3719 -15.6776 -15.6776 -15.6392 -15.6392 -15.3240 -15.3240 -15.2832 -15.2832 -15.2516 -15.2516 -15.2390 -15.2390 -7.2337 -7.2337 -2.2932 -2.2932 1.9441 1.9441 2.6406 2.6406 3.4497 3.4497 4.8642 4.8642 5.0440 5.0440 5.5137 5.5137 8.4183 8.4183 8.8873 8.8873 9.5605 9.5605 9.6195 9.6195 k = 0.6299-0.0637-0.3142 ( 4234 PWs) bands (ev): -34.3820 -34.3820 -34.3719 -34.3719 -15.6777 -15.6777 -15.6380 -15.6380 -15.3241 -15.3241 -15.2817 -15.2817 -15.2510 -15.2510 -15.2382 -15.2382 -7.2451 -7.2451 -2.3121 -2.3121 1.9599 1.9599 2.6883 2.6883 3.4862 3.4862 4.8260 4.8260 5.0862 5.0862 5.5295 5.5295 8.4506 8.4506 8.9153 8.9153 9.5495 9.5495 9.6031 9.6031 k = 0.6231-0.0528-0.2931 ( 4234 PWs) bands (ev): -34.3822 -34.3822 -34.3719 -34.3719 -15.6777 -15.6777 -15.6368 -15.6368 -15.3242 -15.3242 -15.2801 -15.2801 -15.2504 -15.2504 -15.2374 -15.2374 -7.2562 -7.2562 -2.3307 -2.3307 1.9740 1.9740 2.7394 2.7394 3.5216 3.5216 4.7882 4.7882 5.1287 5.1287 5.5437 5.5437 8.4835 8.4835 8.9436 8.9436 9.5398 9.5398 9.5863 9.5863 k = 0.6162-0.0419-0.2719 ( 4240 PWs) bands (ev): -34.3824 -34.3824 -34.3719 -34.3719 -15.6778 -15.6778 -15.6356 -15.6356 -15.3243 -15.3243 -15.2786 -15.2786 -15.2499 -15.2499 -15.2366 -15.2366 -7.2670 -7.2670 -2.3488 -2.3488 1.9865 1.9865 2.7932 2.7932 3.5560 3.5560 4.7508 4.7508 5.1711 5.1711 5.5565 5.5565 8.5164 8.5164 8.9721 8.9721 9.5296 9.5296 9.5690 9.5690 k = 0.6094-0.0310-0.2508 ( 4234 PWs) bands (ev): -34.3826 -34.3826 -34.3718 -34.3718 -15.6778 -15.6778 -15.6344 -15.6344 -15.3243 -15.3243 -15.2771 -15.2771 -15.2495 -15.2495 -15.2358 -15.2358 -7.2775 -7.2775 -2.3665 -2.3665 1.9977 1.9977 2.8490 2.8490 3.5896 3.5896 4.7141 4.7141 5.2132 5.2132 5.5678 5.5678 8.5486 8.5486 9.0007 9.0007 9.5169 9.5169 9.5509 9.5509 k = 0.6025-0.0201-0.2296 ( 4234 PWs) bands (ev): -34.3829 -34.3829 -34.3718 -34.3718 -15.6778 -15.6778 -15.6334 -15.6334 -15.3244 -15.3244 -15.2756 -15.2756 -15.2492 -15.2492 -15.2350 -15.2350 -7.2876 -7.2876 -2.3835 -2.3835 2.0076 2.0076 2.9063 2.9063 3.6224 3.6224 4.6781 4.6781 5.2547 5.2547 5.5778 5.5778 8.5795 8.5795 9.0293 9.0293 9.4993 9.4993 9.5320 9.5320 k = 0.5957-0.0092-0.2085 ( 4232 PWs) bands (ev): -34.3831 -34.3831 -34.3718 -34.3718 -15.6779 -15.6779 -15.6323 -15.6323 -15.3244 -15.3244 -15.2742 -15.2742 -15.2489 -15.2489 -15.2341 -15.2341 -7.2974 -7.2974 -2.3999 -2.3999 2.0164 2.0164 2.9640 2.9640 3.6545 3.6545 4.6431 4.6431 5.2953 5.2953 5.5865 5.5865 8.6084 8.6084 9.0578 9.0578 9.4749 9.4749 9.5126 9.5126 k = 0.5889 0.0018-0.1874 ( 4244 PWs) bands (ev): -34.3832 -34.3832 -34.3718 -34.3718 -15.6779 -15.6779 -15.6313 -15.6313 -15.3245 -15.3245 -15.2728 -15.2728 -15.2488 -15.2488 -15.2333 -15.2333 -7.3066 -7.3066 -2.4155 -2.4155 2.0242 2.0242 3.0216 3.0216 3.6861 3.6861 4.6091 4.6091 5.3347 5.3347 5.5941 5.5941 8.6343 8.6343 9.0858 9.0858 9.4435 9.4435 9.4933 9.4933 k = 0.5820 0.0127-0.1662 ( 4248 PWs) bands (ev): -34.3834 -34.3834 -34.3718 -34.3718 -15.6779 -15.6779 -15.6304 -15.6304 -15.3245 -15.3245 -15.2714 -15.2714 -15.2487 -15.2487 -15.2325 -15.2325 -7.3154 -7.3154 -2.4303 -2.4303 2.0312 2.0312 3.0781 3.0781 3.7174 3.7174 4.5760 4.5760 5.3727 5.3727 5.6006 5.6006 8.6563 8.6563 9.1131 9.1131 9.4064 9.4064 9.4753 9.4753 k = 0.5752 0.0236-0.1451 ( 4244 PWs) bands (ev): -34.3836 -34.3836 -34.3718 -34.3718 -15.6779 -15.6779 -15.6295 -15.6295 -15.3246 -15.3246 -15.2700 -15.2700 -15.2486 -15.2486 -15.2317 -15.2317 -7.3236 -7.3236 -2.4442 -2.4442 2.0375 2.0375 3.1329 3.1329 3.7485 3.7485 4.5440 4.5440 5.4090 5.4090 5.6061 5.6061 8.6736 8.6736 9.1390 9.1390 9.3668 9.3668 9.4597 9.4597 k = 0.5684 0.0345-0.1239 ( 4244 PWs) bands (ev): -34.3837 -34.3837 -34.3718 -34.3718 -15.6779 -15.6779 -15.6287 -15.6287 -15.3246 -15.3246 -15.2687 -15.2687 -15.2486 -15.2486 -15.2309 -15.2309 -7.3312 -7.3312 -2.4571 -2.4571 2.0431 2.0431 3.1849 3.1849 3.7797 3.7797 4.5131 4.5131 5.4432 5.4432 5.6108 5.6108 8.6851 8.6851 9.1627 9.1627 9.3278 9.3278 9.4479 9.4479 k = 0.5615 0.0454-0.1028 ( 4244 PWs) bands (ev): -34.3839 -34.3839 -34.3718 -34.3718 -15.6779 -15.6779 -15.6280 -15.6280 -15.3246 -15.3246 -15.2675 -15.2675 -15.2486 -15.2486 -15.2302 -15.2302 -7.3382 -7.3382 -2.4690 -2.4690 2.0481 2.0481 3.2336 3.2336 3.8109 3.8109 4.4834 4.4834 5.4751 5.4751 5.6147 5.6147 8.6899 8.6899 9.1828 9.1828 9.2924 9.2924 9.4413 9.4413 k = 0.5547 0.0563-0.0816 ( 4240 PWs) bands (ev): -34.3840 -34.3840 -34.3718 -34.3718 -15.6779 -15.6779 -15.6273 -15.6273 -15.3246 -15.3246 -15.2664 -15.2664 -15.2487 -15.2487 -15.2296 -15.2296 -7.3446 -7.3446 -2.4798 -2.4798 2.0525 2.0525 3.2782 3.2782 3.8422 3.8422 4.4547 4.4547 5.5044 5.5044 5.6180 5.6180 8.6879 8.6879 9.1981 9.1981 9.2627 9.2627 9.4415 9.4415 k = 0.5479 0.0673-0.0605 ( 4238 PWs) bands (ev): -34.3841 -34.3841 -34.3718 -34.3718 -15.6779 -15.6779 -15.6267 -15.6267 -15.3246 -15.3246 -15.2653 -15.2653 -15.2489 -15.2489 -15.2289 -15.2289 -7.3502 -7.3502 -2.4894 -2.4894 2.0563 2.0563 3.3182 3.3182 3.8735 3.8735 4.4273 4.4273 5.5307 5.5307 5.6208 5.6208 8.6794 8.6794 9.2077 9.2077 9.2398 9.2398 9.4492 9.4492 k = 0.5410 0.0782-0.0394 ( 4240 PWs) bands (ev): -34.3842 -34.3842 -34.3718 -34.3718 -15.6780 -15.6780 -15.6262 -15.6262 -15.3246 -15.3246 -15.2643 -15.2643 -15.2490 -15.2490 -15.2284 -15.2284 -7.3552 -7.3552 -2.4978 -2.4978 2.0596 2.0596 3.3530 3.3530 3.9044 3.9044 4.4012 4.4012 5.5538 5.5538 5.6234 5.6234 8.6658 8.6658 9.2121 9.2121 9.2237 9.2237 9.4637 9.4637 k = 0.5342 0.0891-0.0182 ( 4242 PWs) bands (ev): -34.3843 -34.3843 -34.3717 -34.3717 -15.6780 -15.6780 -15.6257 -15.6257 -15.3246 -15.3246 -15.2635 -15.2635 -15.2492 -15.2492 -15.2279 -15.2279 -7.3594 -7.3594 -2.5050 -2.5050 2.0623 2.0623 3.3826 3.3826 3.9343 3.9343 4.3765 4.3765 5.5733 5.5733 5.6258 5.6258 8.6492 8.6492 9.2121 9.2121 9.2139 9.2139 9.4831 9.4831 k = 0.5273 0.1000 0.0029 ( 4232 PWs) bands (ev): -34.3844 -34.3844 -34.3717 -34.3717 -15.6780 -15.6780 -15.6253 -15.6253 -15.3246 -15.3246 -15.2627 -15.2627 -15.2494 -15.2494 -15.2275 -15.2275 -7.3629 -7.3629 -2.5110 -2.5110 2.0646 2.0646 3.4067 3.4067 3.9623 3.9623 4.3539 4.3539 5.5887 5.5887 5.6284 5.6284 8.6318 8.6318 9.2075 9.2075 9.2110 9.2110 9.5049 9.5049 k = 0.5205 0.1109 0.0241 ( 4230 PWs) bands (ev): -34.3844 -34.3844 -34.3717 -34.3717 -15.6780 -15.6780 -15.6250 -15.6250 -15.3246 -15.3246 -15.2621 -15.2621 -15.2495 -15.2495 -15.2272 -15.2272 -7.3657 -7.3657 -2.5156 -2.5156 2.0663 2.0663 3.4253 3.4253 3.9871 3.9871 4.3340 4.3340 5.5998 5.5998 5.6315 5.6315 8.6159 8.6159 9.2047 9.2047 9.2083 9.2083 9.5262 9.5262 k = 0.5137 0.1218 0.0452 ( 4240 PWs) bands (ev): -34.3844 -34.3844 -34.3718 -34.3718 -15.6780 -15.6780 -15.6248 -15.6248 -15.3246 -15.3246 -15.2616 -15.2616 -15.2497 -15.2497 -15.2270 -15.2270 -7.3676 -7.3676 -2.5190 -2.5190 2.0676 2.0676 3.4386 3.4386 4.0071 4.0071 4.3179 4.3179 5.6067 5.6067 5.6348 5.6348 8.6031 8.6031 9.2035 9.2035 9.2059 9.2059 9.5441 9.5441 k = 0.5068 0.1327 0.0664 ( 4244 PWs) bands (ev): -34.3845 -34.3845 -34.3718 -34.3718 -15.6780 -15.6780 -15.6247 -15.6247 -15.3247 -15.3247 -15.2613 -15.2613 -15.2498 -15.2498 -15.2268 -15.2268 -7.3688 -7.3688 -2.5210 -2.5210 2.0683 2.0683 3.4465 3.4465 4.0203 4.0203 4.3072 4.3072 5.6102 5.6102 5.6374 5.6374 8.5950 8.5950 9.2028 9.2028 9.2046 9.2046 9.5561 9.5561 k = 0.5000 0.1437 0.0875 ( 4254 PWs) bands (ev): -34.3845 -34.3845 -34.3718 -34.3718 -15.6781 -15.6781 -15.6247 -15.6247 -15.3247 -15.3247 -15.2613 -15.2613 -15.2499 -15.2499 -15.2268 -15.2268 -7.3692 -7.3692 -2.5217 -2.5217 2.0686 2.0686 3.4491 3.4491 4.0250 4.0250 4.3034 4.3034 5.6112 5.6112 5.6384 5.6384 8.5922 8.5922 9.2024 9.2024 9.2042 9.2042 9.5603 9.5603 k = 0.5000 0.1437 0.0875 ( 4254 PWs) bands (ev): -34.3845 -34.3845 -34.3718 -34.3718 -15.6781 -15.6781 -15.6247 -15.6247 -15.3247 -15.3247 -15.2613 -15.2613 -15.2499 -15.2499 -15.2268 -15.2268 -7.3692 -7.3692 -2.5217 -2.5217 2.0686 2.0686 3.4491 3.4491 4.0250 4.0250 4.3034 4.3034 5.6112 5.6112 5.6384 5.6384 8.5922 8.5922 9.2024 9.2024 9.2042 9.2042 9.5603 9.5603 k = 0.4773 0.1371 0.0835 ( 4245 PWs) bands (ev): -34.3845 -34.3845 -34.3718 -34.3718 -15.6780 -15.6780 -15.6247 -15.6247 -15.3247 -15.3247 -15.2612 -15.2612 -15.2499 -15.2499 -15.2268 -15.2268 -7.3692 -7.3692 -2.5213 -2.5213 2.0658 2.0658 3.4478 3.4478 4.0247 4.0247 4.3093 4.3093 5.6119 5.6119 5.6393 5.6393 8.5925 8.5925 9.2008 9.2008 9.2025 9.2025 9.5612 9.5612 k = 0.4545 0.1306 0.0796 ( 4245 PWs) bands (ev): -34.3845 -34.3845 -34.3718 -34.3718 -15.6781 -15.6781 -15.6246 -15.6246 -15.3247 -15.3247 -15.2611 -15.2611 -15.2499 -15.2499 -15.2268 -15.2268 -7.3694 -7.3694 -2.5201 -2.5201 2.0577 2.0577 3.4439 3.4439 4.0237 4.0237 4.3268 4.3268 5.6139 5.6139 5.6420 5.6420 8.5934 8.5934 9.1960 9.1960 9.1976 9.1976 9.5638 9.5638 k = 0.4318 0.1241 0.0756 ( 4251 PWs) bands (ev): -34.3845 -34.3845 -34.3718 -34.3718 -15.6782 -15.6782 -15.6246 -15.6246 -15.3249 -15.3249 -15.2610 -15.2610 -15.2499 -15.2499 -15.2268 -15.2268 -7.3696 -7.3696 -2.5183 -2.5183 2.0446 2.0446 3.4379 3.4379 4.0220 4.0220 4.3551 4.3551 5.6173 5.6173 5.6465 5.6465 8.5947 8.5947 9.1882 9.1882 9.1896 9.1896 9.5680 9.5680 k = 0.4091 0.1175 0.0716 ( 4251 PWs) bands (ev): -34.3845 -34.3845 -34.3717 -34.3717 -15.6784 -15.6784 -15.6244 -15.6244 -15.3250 -15.3250 -15.2608 -15.2608 -15.2499 -15.2499 -15.2268 -15.2268 -7.3699 -7.3699 -2.5157 -2.5157 2.0268 2.0268 3.4303 3.4303 4.0198 4.0198 4.3931 4.3931 5.6219 5.6219 5.6527 5.6527 8.5964 8.5964 9.1779 9.1779 9.1788 9.1788 9.5738 9.5738 k = 0.3864 0.1110 0.0676 ( 4248 PWs) bands (ev): -34.3845 -34.3845 -34.3717 -34.3717 -15.6785 -15.6785 -15.6243 -15.6243 -15.3252 -15.3252 -15.2606 -15.2606 -15.2498 -15.2498 -15.2268 -15.2268 -7.3703 -7.3703 -2.5125 -2.5125 2.0049 2.0049 3.4216 3.4216 4.0171 4.0171 4.4398 4.4398 5.6276 5.6276 5.6604 5.6604 8.5983 8.5983 9.1653 9.1653 9.1658 9.1658 9.5808 9.5808 k = 0.3636 0.1045 0.0636 ( 4221 PWs) bands (ev): -34.3845 -34.3845 -34.3717 -34.3717 -15.6786 -15.6786 -15.6241 -15.6241 -15.3253 -15.3253 -15.2602 -15.2602 -15.2497 -15.2497 -15.2268 -15.2268 -7.3708 -7.3708 -2.5087 -2.5087 1.9797 1.9797 3.4124 3.4124 4.0139 4.0139 4.4938 4.4938 5.6345 5.6345 5.6695 5.6695 8.6001 8.6001 9.1510 9.1510 9.1511 9.1511 9.5889 9.5889 k = 0.3409 0.0979 0.0597 ( 4221 PWs) bands (ev): -34.3845 -34.3845 -34.3717 -34.3717 -15.6789 -15.6789 -15.6239 -15.6239 -15.3256 -15.3256 -15.2599 -15.2599 -15.2497 -15.2497 -15.2268 -15.2268 -7.3713 -7.3713 -2.5044 -2.5044 1.9518 1.9518 3.4030 3.4030 4.0102 4.0102 4.5538 4.5538 5.6423 5.6423 5.6798 5.6798 8.6013 8.6013 9.1350 9.1350 9.1353 9.1353 9.5970 9.5970 k = 0.3182 0.0914 0.0557 ( 4227 PWs) bands (ev): -34.3845 -34.3845 -34.3717 -34.3717 -15.6791 -15.6791 -15.6237 -15.6237 -15.3259 -15.3259 -15.2595 -15.2595 -15.2498 -15.2498 -15.2268 -15.2268 -7.3719 -7.3719 -2.4997 -2.4997 1.9219 1.9219 3.3937 3.3937 4.0063 4.0063 4.6185 4.6185 5.6509 5.6509 5.6912 5.6912 8.6017 8.6017 9.1180 9.1180 9.1188 9.1188 9.6038 9.6038 k = 0.2955 0.0849 0.0517 ( 4215 PWs) bands (ev): -34.3845 -34.3845 -34.3717 -34.3717 -15.6794 -15.6794 -15.6235 -15.6235 -15.3262 -15.3262 -15.2591 -15.2591 -15.2497 -15.2497 -15.2268 -15.2268 -7.3725 -7.3725 -2.4946 -2.4946 1.8908 1.8908 3.3848 3.3848 4.0021 4.0021 4.6867 4.6867 5.6602 5.6602 5.7033 5.7033 8.6006 8.6006 9.1006 9.1006 9.1019 9.1019 9.6060 9.6060 k = 0.2727 0.0784 0.0477 ( 4221 PWs) bands (ev): -34.3846 -34.3846 -34.3717 -34.3717 -15.6797 -15.6797 -15.6232 -15.6232 -15.3265 -15.3265 -15.2587 -15.2587 -15.2498 -15.2498 -15.2268 -15.2268 -7.3732 -7.3732 -2.4893 -2.4893 1.8593 1.8593 3.3764 3.3764 3.9978 3.9978 4.7573 4.7573 5.6700 5.6700 5.7160 5.7160 8.5975 8.5975 9.0831 9.0831 9.0849 9.0849 9.5971 9.5971 k = 0.2500 0.0718 0.0438 ( 4230 PWs) bands (ev): -34.3846 -34.3846 -34.3717 -34.3717 -15.6800 -15.6800 -15.6230 -15.6230 -15.3269 -15.3269 -15.2583 -15.2583 -15.2498 -15.2498 -15.2268 -15.2268 -7.3739 -7.3739 -2.4838 -2.4838 1.8278 1.8278 3.3686 3.3686 3.9935 3.9935 4.8290 4.8290 5.6802 5.6802 5.7290 5.7290 8.5917 8.5917 9.0659 9.0659 9.0682 9.0682 9.5673 9.5673 k = 0.2273 0.0653 0.0398 ( 4230 PWs) bands (ev): -34.3846 -34.3846 -34.3716 -34.3716 -15.6803 -15.6803 -15.6228 -15.6228 -15.3272 -15.3272 -15.2579 -15.2579 -15.2498 -15.2498 -15.2268 -15.2268 -7.3745 -7.3745 -2.4783 -2.4783 1.7972 1.7972 3.3614 3.3614 3.9892 3.9892 4.9006 4.9006 5.6906 5.6906 5.7420 5.7420 8.5826 8.5826 9.0492 9.0492 9.0520 9.0520 9.5157 9.5157 k = 0.2045 0.0588 0.0358 ( 4233 PWs) bands (ev): -34.3846 -34.3846 -34.3716 -34.3716 -15.6806 -15.6806 -15.6226 -15.6226 -15.3275 -15.3275 -15.2575 -15.2575 -15.2498 -15.2498 -15.2268 -15.2268 -7.3752 -7.3752 -2.4729 -2.4729 1.7678 1.7678 3.3549 3.3549 3.9850 3.9850 4.9711 4.9711 5.7009 5.7009 5.7549 5.7549 8.5695 8.5695 9.0334 9.0334 9.0366 9.0366 9.4537 9.4537 k = 0.1818 0.0522 0.0318 ( 4233 PWs) bands (ev): -34.3846 -34.3846 -34.3716 -34.3716 -15.6808 -15.6808 -15.6224 -15.6224 -15.3278 -15.3278 -15.2571 -15.2571 -15.2498 -15.2498 -15.2269 -15.2269 -7.3758 -7.3758 -2.4677 -2.4677 1.7402 1.7402 3.3491 3.3491 3.9810 3.9810 5.0391 5.0391 5.7111 5.7111 5.7672 5.7672 8.5522 8.5522 9.0186 9.0186 9.0222 9.0222 9.3923 9.3923 k = 0.1591 0.0457 0.0278 ( 4242 PWs) bands (ev): -34.3846 -34.3846 -34.3716 -34.3716 -15.6811 -15.6811 -15.6222 -15.6222 -15.3281 -15.3281 -15.2568 -15.2568 -15.2498 -15.2498 -15.2269 -15.2269 -7.3764 -7.3764 -2.4628 -2.4628 1.7149 1.7149 3.3440 3.3440 3.9773 3.9773 5.1034 5.1034 5.7208 5.7208 5.7788 5.7788 8.5309 8.5309 9.0050 9.0050 9.0090 9.0090 9.3370 9.3370 k = 0.1364 0.0392 0.0239 ( 4242 PWs) bands (ev): -34.3846 -34.3846 -34.3716 -34.3716 -15.6813 -15.6813 -15.6220 -15.6220 -15.3283 -15.3283 -15.2565 -15.2565 -15.2498 -15.2498 -15.2269 -15.2269 -7.3769 -7.3769 -2.4583 -2.4583 1.6922 1.6922 3.3395 3.3395 3.9740 3.9740 5.1626 5.1626 5.7301 5.7301 5.7894 5.7894 8.5065 8.5065 8.9929 8.9929 8.9973 8.9973 9.2903 9.2903 k = 0.1136 0.0326 0.0199 ( 4236 PWs) bands (ev): -34.3846 -34.3846 -34.3716 -34.3716 -15.6815 -15.6815 -15.6218 -15.6218 -15.3285 -15.3285 -15.2561 -15.2561 -15.2498 -15.2498 -15.2269 -15.2269 -7.3774 -7.3774 -2.4543 -2.4543 1.6724 1.6724 3.3358 3.3358 3.9711 3.9711 5.2155 5.2155 5.7385 5.7385 5.7988 5.7988 8.4805 8.4805 8.9824 8.9824 8.9871 8.9871 9.2528 9.2528 k = 0.0909 0.0261 0.0159 ( 4233 PWs) bands (ev): -34.3846 -34.3846 -34.3716 -34.3716 -15.6817 -15.6817 -15.6217 -15.6217 -15.3287 -15.3287 -15.2559 -15.2559 -15.2498 -15.2498 -15.2269 -15.2269 -7.3778 -7.3778 -2.4509 -2.4509 1.6559 1.6559 3.3327 3.3327 3.9686 3.9686 5.2607 5.2607 5.7460 5.7460 5.8068 5.8068 8.4549 8.4549 8.9735 8.9735 8.9785 8.9785 9.2240 9.2240 k = 0.0682 0.0196 0.0119 ( 4234 PWs) bands (ev): -34.3846 -34.3846 -34.3716 -34.3716 -15.6818 -15.6818 -15.6216 -15.6216 -15.3288 -15.3288 -15.2557 -15.2557 -15.2498 -15.2498 -15.2269 -15.2269 -7.3781 -7.3781 -2.4482 -2.4482 1.6428 1.6428 3.3303 3.3303 3.9666 3.9666 5.2973 5.2973 5.7522 5.7522 5.8133 5.8133 8.4320 8.4320 8.9665 8.9665 8.9718 8.9718 9.2031 9.2031 k = 0.0455 0.0131 0.0080 ( 4234 PWs) bands (ev): -34.3846 -34.3846 -34.3716 -34.3716 -15.6819 -15.6819 -15.6215 -15.6215 -15.3290 -15.3290 -15.2556 -15.2556 -15.2498 -15.2498 -15.2268 -15.2268 -7.3784 -7.3784 -2.4463 -2.4463 1.6333 1.6333 3.3286 3.3286 3.9652 3.9652 5.3241 5.3241 5.7569 5.7569 5.8180 5.8180 8.4139 8.4139 8.9615 8.9615 8.9669 8.9669 9.1891 9.1891 k = 0.0227 0.0065 0.0040 ( 4237 PWs) bands (ev): -34.3846 -34.3846 -34.3716 -34.3716 -15.6820 -15.6820 -15.6214 -15.6214 -15.3290 -15.3290 -15.2555 -15.2555 -15.2498 -15.2498 -15.2268 -15.2268 -7.3785 -7.3785 -2.4450 -2.4450 1.6275 1.6275 3.3276 3.3276 3.9643 3.9643 5.3405 5.3405 5.7598 5.7598 5.8208 5.8208 8.4022 8.4022 8.9584 8.9584 8.9639 8.9639 9.1810 9.1810 k = 0.0000 0.0000 0.0000 ( 4243 PWs) bands (ev): -34.3846 -34.3846 -34.3716 -34.3716 -15.6820 -15.6820 -15.6214 -15.6214 -15.3291 -15.3291 -15.2555 -15.2555 -15.2498 -15.2498 -15.2268 -15.2268 -7.3785 -7.3785 -2.4446 -2.4446 1.6256 1.6256 3.3272 3.3272 3.9641 3.9641 5.3460 5.3460 5.7608 5.7608 5.8218 5.8218 8.3982 8.3982 8.9574 8.9574 8.9630 8.9630 9.1784 9.1784 k = 0.0000 0.0000 0.0000 ( 4243 PWs) bands (ev): -34.3846 -34.3846 -34.3716 -34.3716 -15.6820 -15.6820 -15.6214 -15.6214 -15.3291 -15.3291 -15.2555 -15.2555 -15.2498 -15.2498 -15.2268 -15.2268 -7.3785 -7.3785 -2.4446 -2.4446 1.6256 1.6256 3.3272 3.3272 3.9641 3.9641 5.3460 5.3460 5.7608 5.7608 5.8218 5.8218 8.3982 8.3982 8.9574 8.9574 8.9630 8.9630 9.1784 9.1784 k = 0.0069-0.0109-0.0212 ( 4245 PWs) bands (ev): -34.3846 -34.3846 -34.3716 -34.3716 -15.6820 -15.6820 -15.6215 -15.6215 -15.3291 -15.3291 -15.2556 -15.2556 -15.2497 -15.2497 -15.2269 -15.2269 -7.3781 -7.3781 -2.4441 -2.4441 1.6264 1.6264 3.3253 3.3253 3.9617 3.9617 5.3456 5.3456 5.7580 5.7580 5.8187 5.8187 8.4048 8.4048 8.9571 8.9571 8.9639 8.9639 9.1805 9.1805 k = 0.0137-0.0219-0.0424 ( 4245 PWs) bands (ev): -34.3846 -34.3846 -34.3716 -34.3716 -15.6820 -15.6820 -15.6216 -15.6216 -15.3291 -15.3291 -15.2560 -15.2560 -15.2495 -15.2495 -15.2271 -15.2271 -7.3769 -7.3769 -2.4426 -2.4426 1.6287 1.6287 3.3196 3.3196 3.9546 3.9546 5.3446 5.3446 5.7485 5.7485 5.8106 5.8106 8.4241 8.4241 8.9537 8.9537 8.9696 8.9696 9.1869 9.1869 k = 0.0206-0.0328-0.0636 ( 4237 PWs) bands (ev): -34.3846 -34.3846 -34.3716 -34.3716 -15.6819 -15.6819 -15.6218 -15.6218 -15.3290 -15.3290 -15.2566 -15.2566 -15.2493 -15.2493 -15.2273 -15.2273 -7.3748 -7.3748 -2.4400 -2.4400 1.6326 1.6326 3.3101 3.3101 3.9430 3.9430 5.3428 5.3428 5.7302 5.7302 5.8003 5.8003 8.4551 8.4551 8.9466 8.9466 8.9805 8.9805 9.1973 9.1973 k = 0.0274-0.0438-0.0848 ( 4231 PWs) bands (ev): -34.3845 -34.3845 -34.3716 -34.3716 -15.6819 -15.6819 -15.6221 -15.6221 -15.3290 -15.3290 -15.2574 -15.2574 -15.2490 -15.2490 -15.2276 -15.2276 -7.3720 -7.3720 -2.4364 -2.4364 1.6380 1.6380 3.2966 3.2966 3.9272 3.9272 5.3403 5.3403 5.7015 5.7015 5.7905 5.7905 8.4963 8.4963 8.9363 8.9363 8.9962 8.9962 9.2117 9.2117 k = 0.0343-0.0547-0.1060 ( 4221 PWs) bands (ev): -34.3844 -34.3844 -34.3716 -34.3716 -15.6818 -15.6818 -15.6225 -15.6225 -15.3289 -15.3289 -15.2583 -15.2583 -15.2486 -15.2486 -15.2280 -15.2280 -7.3683 -7.3683 -2.4317 -2.4317 1.6448 1.6448 3.2791 3.2791 3.9077 3.9077 5.3371 5.3371 5.6632 5.6632 5.7814 5.7814 8.5455 8.5455 8.9231 8.9231 9.0169 9.0169 9.2297 9.2297 k = 0.0411-0.0657-0.1272 ( 4215 PWs) bands (ev): -34.3843 -34.3843 -34.3716 -34.3716 -15.6817 -15.6817 -15.6230 -15.6230 -15.3288 -15.3288 -15.2593 -15.2593 -15.2483 -15.2483 -15.2285 -15.2285 -7.3639 -7.3639 -2.4261 -2.4261 1.6530 1.6530 3.2575 3.2575 3.8850 3.8850 5.3331 5.3331 5.6172 5.6172 5.7724 5.7724 8.6004 8.6004 8.9069 8.9069 9.0424 9.0424 9.2514 9.2514 k = 0.0480-0.0766-0.1484 ( 4213 PWs) bands (ev): -34.3842 -34.3842 -34.3716 -34.3716 -15.6817 -15.6817 -15.6235 -15.6235 -15.3288 -15.3288 -15.2604 -15.2604 -15.2481 -15.2481 -15.2291 -15.2291 -7.3587 -7.3587 -2.4195 -2.4195 1.6626 1.6626 3.2317 3.2317 3.8597 3.8597 5.3284 5.3284 5.5654 5.5654 5.7632 5.7632 8.6585 8.6585 8.8881 8.8881 9.0725 9.0725 9.2767 9.2767 k = 0.0548-0.0876-0.1696 ( 4213 PWs) bands (ev): -34.3841 -34.3841 -34.3716 -34.3716 -15.6816 -15.6816 -15.6241 -15.6241 -15.3287 -15.3287 -15.2615 -15.2615 -15.2480 -15.2480 -15.2297 -15.2297 -7.3527 -7.3527 -2.4120 -2.4120 1.6734 1.6734 3.2018 3.2018 3.8322 3.8322 5.3227 5.3227 5.5093 5.5093 5.7533 5.7533 8.7172 8.7172 8.8669 8.8669 9.1063 9.1063 9.3064 9.3064 k = 0.0617-0.0985-0.1908 ( 4217 PWs) bands (ev): -34.3840 -34.3840 -34.3716 -34.3716 -15.6815 -15.6815 -15.6249 -15.6249 -15.3286 -15.3286 -15.2628 -15.2628 -15.2479 -15.2479 -15.2305 -15.2305 -7.3461 -7.3461 -2.4036 -2.4036 1.6854 1.6854 3.1677 3.1677 3.8031 3.8031 5.3157 5.3157 5.4509 5.4509 5.7426 5.7426 8.7745 8.7745 8.8440 8.8440 9.1417 9.1417 9.3415 9.3415 k = 0.0686-0.1095-0.2120 ( 4213 PWs) bands (ev): -34.3839 -34.3839 -34.3716 -34.3716 -15.6814 -15.6814 -15.6257 -15.6257 -15.3285 -15.3285 -15.2641 -15.2641 -15.2478 -15.2478 -15.2312 -15.2312 -7.3388 -7.3388 -2.3943 -2.3943 1.6984 1.6984 3.1297 3.1297 3.7729 3.7729 5.3055 5.3055 5.3927 5.3927 5.7310 5.7310 8.8154 8.8154 8.8334 8.8334 9.1758 9.1758 9.3834 9.3834 k = 0.0754-0.1204-0.2332 ( 4207 PWs) bands (ev): -34.3837 -34.3837 -34.3716 -34.3716 -15.6812 -15.6812 -15.6265 -15.6265 -15.3284 -15.3284 -15.2654 -15.2654 -15.2479 -15.2479 -15.2320 -15.2320 -7.3308 -7.3308 -2.3841 -2.3841 1.7123 1.7123 3.0880 3.0880 3.7418 3.7418 5.2847 5.2847 5.3433 5.3433 5.7186 5.7186 8.7925 8.7925 8.8829 8.8829 9.2055 9.2055 9.4327 9.4327 k = 0.0823-0.1313-0.2544 ( 4209 PWs) bands (ev): -34.3835 -34.3835 -34.3716 -34.3716 -15.6811 -15.6811 -15.6275 -15.6275 -15.3283 -15.3283 -15.2669 -15.2669 -15.2480 -15.2480 -15.2329 -15.2329 -7.3223 -7.3223 -2.3731 -2.3731 1.7268 1.7268 3.0431 3.0431 3.7102 3.7102 5.2395 5.2395 5.3172 5.3172 5.7052 5.7052 8.7667 8.7667 8.9320 8.9320 9.2289 9.2289 9.4882 9.4882 k = 0.0891-0.1423-0.2756 ( 4207 PWs) bands (ev): -34.3833 -34.3833 -34.3716 -34.3716 -15.6810 -15.6810 -15.6284 -15.6284 -15.3281 -15.3281 -15.2683 -15.2683 -15.2482 -15.2482 -15.2337 -15.2337 -7.3131 -7.3131 -2.3614 -2.3614 1.7419 1.7419 2.9954 2.9954 3.6781 3.6781 5.1804 5.1804 5.3045 5.3045 5.6909 5.6909 8.7410 8.7410 8.9790 8.9790 9.2456 9.2456 9.5461 9.5462 k = 0.0960-0.1532-0.2968 ( 4203 PWs) bands (ev): -34.3832 -34.3832 -34.3717 -34.3717 -15.6808 -15.6808 -15.6295 -15.6295 -15.3280 -15.3280 -15.2698 -15.2698 -15.2485 -15.2485 -15.2346 -15.2346 -7.3035 -7.3035 -2.3490 -2.3490 1.7573 1.7573 2.9457 2.9457 3.6456 3.6456 5.1181 5.1181 5.2952 5.2952 5.6757 5.6757 8.7158 8.7158 9.0244 9.0244 9.2559 9.2559 9.6004 9.6004 k = 0.1028-0.1642-0.3180 ( 4205 PWs) bands (ev): -34.3830 -34.3830 -34.3717 -34.3717 -15.6807 -15.6807 -15.6306 -15.6306 -15.3278 -15.3278 -15.2714 -15.2714 -15.2489 -15.2489 -15.2354 -15.2354 -7.2934 -7.2934 -2.3358 -2.3358 1.7726 1.7726 2.8945 2.8945 3.6127 3.6127 5.0555 5.0555 5.2867 5.2867 5.6595 5.6595 8.6918 8.6918 9.0685 9.0685 9.2606 9.2606 9.6429 9.6429 k = 0.1097-0.1751-0.3392 ( 4211 PWs) bands (ev): -34.3827 -34.3827 -34.3717 -34.3717 -15.6805 -15.6805 -15.6318 -15.6318 -15.3276 -15.3276 -15.2730 -15.2730 -15.2493 -15.2493 -15.2363 -15.2363 -7.2828 -7.2828 -2.3221 -2.3221 1.7877 1.7877 2.8425 2.8425 3.5795 3.5795 4.9937 4.9937 5.2785 5.2785 5.6424 5.6424 8.6693 8.6693 9.1115 9.1115 9.2606 9.2606 9.6722 9.6722 k = 0.1165-0.1861-0.3604 ( 4223 PWs) bands (ev): -34.3825 -34.3825 -34.3717 -34.3717 -15.6804 -15.6804 -15.6331 -15.6331 -15.3275 -15.3275 -15.2746 -15.2746 -15.2499 -15.2499 -15.2371 -15.2371 -7.2719 -7.2719 -2.3079 -2.3079 1.8021 1.8021 2.7907 2.7907 3.5456 3.5456 4.9331 4.9331 5.2705 5.2705 5.6244 5.6244 8.6486 8.6486 9.1529 9.1529 9.2575 9.2575 9.6959 9.6959 k = 0.1234-0.1970-0.3816 ( 4225 PWs) bands (ev): -34.3823 -34.3823 -34.3718 -34.3718 -15.6802 -15.6802 -15.6343 -15.6343 -15.3273 -15.3273 -15.2762 -15.2762 -15.2506 -15.2506 -15.2379 -15.2379 -7.2607 -7.2607 -2.2931 -2.2931 1.8155 1.8155 2.7398 2.7398 3.5113 3.5113 4.8742 4.8742 5.2626 5.2626 5.6053 5.6053 8.6303 8.6303 9.1901 9.1901 9.2549 9.2549 9.7190 9.7190 k = 0.1303-0.2080-0.4028 ( 4223 PWs) bands (ev): -34.3821 -34.3821 -34.3718 -34.3718 -15.6800 -15.6800 -15.6356 -15.6356 -15.3270 -15.3270 -15.2778 -15.2778 -15.2513 -15.2513 -15.2387 -15.2387 -7.2492 -7.2492 -2.2779 -2.2779 1.8272 1.8272 2.6907 2.6907 3.4762 3.4762 4.8172 4.8172 5.2547 5.2547 5.5854 5.5854 8.6145 8.6145 9.2111 9.2111 9.2651 9.2651 9.7439 9.7439 k = 0.1371-0.2189-0.4240 ( 4231 PWs) bands (ev): -34.3818 -34.3818 -34.3718 -34.3718 -15.6799 -15.6799 -15.6370 -15.6370 -15.3268 -15.3268 -15.2795 -15.2795 -15.2521 -15.2521 -15.2394 -15.2394 -7.2375 -7.2375 -2.2624 -2.2624 1.8369 1.8369 2.6442 2.6442 3.4405 3.4405 4.7624 4.7624 5.2469 5.2469 5.5645 5.5645 8.6014 8.6014 9.2086 9.2086 9.2963 9.2963 9.7710 9.7710 k = 0.1440-0.2299-0.4452 ( 4235 PWs) bands (ev): -34.3816 -34.3816 -34.3719 -34.3719 -15.6797 -15.6797 -15.6383 -15.6383 -15.3266 -15.3266 -15.2811 -15.2811 -15.2529 -15.2529 -15.2401 -15.2401 -7.2256 -7.2256 -2.2465 -2.2465 1.8439 1.8439 2.6013 2.6013 3.4040 3.4040 4.7100 4.7100 5.2393 5.2393 5.5428 5.5428 8.5914 8.5914 9.1972 9.1972 9.3340 9.3340 9.8007 9.8007 k = 0.1508-0.2408-0.4664 ( 4233 PWs) bands (ev): -34.3813 -34.3813 -34.3719 -34.3719 -15.6794 -15.6794 -15.6397 -15.6397 -15.3263 -15.3263 -15.2827 -15.2827 -15.2538 -15.2538 -15.2408 -15.2408 -7.2136 -7.2136 -2.2304 -2.2304 1.8476 1.8476 2.5628 2.5628 3.3668 3.3668 4.6602 4.6602 5.2317 5.2317 5.5202 5.5202 8.5847 8.5847 9.1830 9.1830 9.3724 9.3724 9.8331 9.8331 k = 0.1577-0.2517-0.4876 ( 4237 PWs) bands (ev): -34.3810 -34.3810 -34.3720 -34.3720 -15.6792 -15.6792 -15.6411 -15.6411 -15.3260 -15.3260 -15.2844 -15.2844 -15.2548 -15.2548 -15.2415 -15.2415 -7.2016 -7.2016 -2.2142 -2.2142 1.8475 1.8475 2.5293 2.5293 3.3288 3.3288 4.6131 4.6131 5.2242 5.2242 5.4970 5.4970 8.5813 8.5813 9.1675 9.1675 9.4097 9.4097 9.8683 9.8683 k = 0.1645-0.2627-0.5088 ( 4239 PWs) bands (ev): -34.3808 -34.3808 -34.3720 -34.3720 -15.6790 -15.6790 -15.6425 -15.6425 -15.3257 -15.3257 -15.2859 -15.2859 -15.2557 -15.2557 -15.2421 -15.2421 -7.1896 -7.1896 -2.1979 -2.1979 1.8432 1.8432 2.5014 2.5014 3.2902 3.2902 4.5689 4.5689 5.2166 5.2166 5.4733 5.4733 8.5815 8.5815 9.1516 9.1516 9.4454 9.4454 9.9061 9.9061 k = 0.1714-0.2736-0.5300 ( 4233 PWs) bands (ev): -34.3805 -34.3805 -34.3721 -34.3721 -15.6787 -15.6787 -15.6439 -15.6439 -15.3254 -15.3254 -15.2874 -15.2874 -15.2567 -15.2567 -15.2427 -15.2427 -7.1777 -7.1777 -2.1815 -2.1815 1.8348 1.8348 2.4794 2.4794 3.2509 3.2509 4.5276 4.5276 5.2088 5.2088 5.4494 5.4494 8.5853 8.5853 9.1355 9.1355 9.4788 9.4788 9.9465 9.9465 k = 0.1782-0.2846-0.5512 ( 4227 PWs) bands (ev): -34.3802 -34.3802 -34.3722 -34.3722 -15.6784 -15.6784 -15.6453 -15.6453 -15.3251 -15.3251 -15.2889 -15.2889 -15.2578 -15.2578 -15.2433 -15.2433 -7.1659 -7.1659 -2.1653 -2.1653 1.8223 1.8223 2.4631 2.4631 3.2110 3.2110 4.4894 4.4894 5.2004 5.2004 5.4256 5.4256 8.5928 8.5928 9.1196 9.1196 9.5095 9.5095 9.9891 9.9891 k = 0.1851-0.2955-0.5724 ( 4227 PWs) bands (ev): -34.3800 -34.3800 -34.3722 -34.3722 -15.6781 -15.6781 -15.6467 -15.6467 -15.3248 -15.3248 -15.2903 -15.2903 -15.2588 -15.2588 -15.2438 -15.2438 -7.1543 -7.1543 -2.1492 -2.1492 1.8063 1.8063 2.4521 2.4521 3.1708 3.1708 4.4544 4.4544 5.1911 5.1911 5.4025 5.4025 8.6041 8.6041 9.1040 9.1040 9.5372 9.5372 10.0325 10.0332 k = 0.1919-0.3065-0.5936 ( 4227 PWs) bands (ev): -34.3797 -34.3797 -34.3723 -34.3723 -15.6778 -15.6778 -15.6481 -15.6481 -15.3246 -15.3246 -15.2916 -15.2916 -15.2598 -15.2598 -15.2444 -15.2444 -7.1430 -7.1430 -2.1333 -2.1333 1.7876 1.7876 2.4455 2.4455 3.1302 3.1302 4.4226 4.4226 5.1803 5.1803 5.3808 5.3808 8.6192 8.6192 9.0889 9.0889 9.5614 9.5614 10.0605 10.0606 k = 0.1988-0.3174-0.6148 ( 4221 PWs) bands (ev): -34.3794 -34.3794 -34.3724 -34.3724 -15.6775 -15.6775 -15.6494 -15.6494 -15.3243 -15.3243 -15.2928 -15.2928 -15.2609 -15.2609 -15.2449 -15.2449 -7.1320 -7.1320 -2.1177 -2.1177 1.7670 1.7670 2.4425 2.4425 3.0896 3.0896 4.3941 4.3941 5.1672 5.1672 5.3614 5.3614 8.6381 8.6381 9.0743 9.0743 9.5819 9.5819 10.0630 10.0630 k = 0.2057-0.3284-0.6360 ( 4227 PWs) bands (ev): -34.3792 -34.3792 -34.3725 -34.3725 -15.6772 -15.6772 -15.6508 -15.6508 -15.3241 -15.3241 -15.2940 -15.2940 -15.2619 -15.2619 -15.2455 -15.2455 -7.1213 -7.1213 -2.1025 -2.1025 1.7455 1.7455 2.4422 2.4422 3.0491 3.0491 4.3691 4.3691 5.1512 5.1512 5.3450 5.3450 8.6609 8.6609 9.0604 9.0604 9.5982 9.5982 10.0532 10.0532 k = 0.2125-0.3393-0.6573 ( 4227 PWs) bands (ev): -34.3789 -34.3789 -34.3726 -34.3726 -15.6768 -15.6768 -15.6521 -15.6521 -15.3239 -15.3239 -15.2950 -15.2950 -15.2630 -15.2630 -15.2460 -15.2460 -7.1110 -7.1110 -2.0877 -2.0877 1.7239 1.7239 2.4435 2.4435 3.0090 3.0090 4.3474 4.3474 5.1317 5.1317 5.3322 5.3322 8.6874 8.6874 9.0471 9.0471 9.6101 9.6101 10.0325 10.0325 k = 0.2194-0.3502-0.6785 ( 4227 PWs) bands (ev): -34.3786 -34.3786 -34.3727 -34.3727 -15.6765 -15.6765 -15.6534 -15.6534 -15.3237 -15.3237 -15.2959 -15.2959 -15.2640 -15.2640 -15.2465 -15.2465 -7.1011 -7.1011 -2.0735 -2.0735 1.7028 1.7028 2.4456 2.4456 2.9696 2.9696 4.3293 4.3293 5.1088 5.1088 5.3233 5.3233 8.7175 8.7175 9.0347 9.0347 9.6169 9.6169 10.0031 10.0031 k = 0.2262-0.3612-0.6997 ( 4223 PWs) bands (ev): -34.3784 -34.3784 -34.3728 -34.3728 -15.6761 -15.6761 -15.6547 -15.6547 -15.3236 -15.3236 -15.2967 -15.2967 -15.2650 -15.2650 -15.2470 -15.2470 -7.0917 -7.0917 -2.0598 -2.0598 1.6830 1.6830 2.4477 2.4477 2.9312 2.9312 4.3147 4.3147 5.0828 5.0828 5.3181 5.3181 8.7512 8.7512 9.0230 9.0230 9.6183 9.6183 9.9684 9.9684 k = 0.2331-0.3721-0.7209 ( 4237 PWs) bands (ev): -34.3781 -34.3781 -34.3729 -34.3729 -15.6757 -15.6757 -15.6559 -15.6559 -15.3236 -15.3236 -15.2973 -15.2973 -15.2661 -15.2661 -15.2475 -15.2475 -7.0828 -7.0828 -2.0468 -2.0468 1.6648 1.6648 2.4489 2.4489 2.8944 2.8944 4.3035 4.3035 5.0541 5.0541 5.3160 5.3160 8.7884 8.7884 9.0120 9.0120 9.6136 9.6136 9.9313 9.9313 k = 0.2399-0.3831-0.7421 ( 4233 PWs) bands (ev): -34.3778 -34.3778 -34.3730 -34.3730 -15.6753 -15.6753 -15.6571 -15.6571 -15.3236 -15.3236 -15.2978 -15.2978 -15.2670 -15.2670 -15.2479 -15.2479 -7.0745 -7.0745 -2.0346 -2.0346 1.6486 1.6486 2.4486 2.4486 2.8595 2.8595 4.2960 4.2960 5.0235 5.0235 5.3166 5.3166 8.8288 8.8288 9.0020 9.0020 9.6022 9.6022 9.8941 9.8941 k = 0.2468-0.3940-0.7633 ( 4239 PWs) bands (ev): -34.3776 -34.3776 -34.3731 -34.3731 -15.6749 -15.6749 -15.6583 -15.6583 -15.3236 -15.3236 -15.2982 -15.2982 -15.2680 -15.2680 -15.2484 -15.2484 -7.0667 -7.0667 -2.0230 -2.0230 1.6348 1.6348 2.4461 2.4461 2.8271 2.8271 4.2919 4.2919 4.9914 4.9914 5.3193 5.3193 8.8723 8.8723 8.9928 8.9928 9.5836 9.5836 9.8582 9.8582 k = 0.2536-0.4050-0.7845 ( 4233 PWs) bands (ev): -34.3774 -34.3774 -34.3732 -34.3732 -15.6744 -15.6744 -15.6593 -15.6593 -15.3237 -15.3237 -15.2984 -15.2984 -15.2689 -15.2689 -15.2487 -15.2487 -7.0596 -7.0596 -2.0123 -2.0123 1.6235 1.6235 2.4408 2.4408 2.7977 2.7977 4.2914 4.2914 4.9584 4.9584 5.3238 5.3238 8.9181 8.9181 8.9850 8.9850 9.5576 9.5576 9.8245 9.8245 k = 0.2605-0.4159-0.8057 ( 4229 PWs) bands (ev): -34.3771 -34.3771 -34.3734 -34.3734 -15.6740 -15.6740 -15.6603 -15.6603 -15.3239 -15.3239 -15.2984 -15.2984 -15.2698 -15.2698 -15.2491 -15.2491 -7.0530 -7.0530 -2.0025 -2.0025 1.6146 1.6146 2.4324 2.4324 2.7717 2.7717 4.2944 4.2944 4.9248 4.9248 5.3298 5.3298 8.9603 8.9603 8.9842 8.9842 9.5240 9.5240 9.7937 9.7937 k = 0.2674-0.4269-0.8269 ( 4237 PWs) bands (ev): -34.3769 -34.3769 -34.3735 -34.3735 -15.6735 -15.6735 -15.6614 -15.6614 -15.3241 -15.3241 -15.2984 -15.2984 -15.2707 -15.2707 -15.2495 -15.2495 -7.0471 -7.0471 -1.9935 -1.9935 1.6084 1.6084 2.4207 2.4207 2.7494 2.7494 4.3008 4.3008 4.8911 4.8911 5.3368 5.3368 8.9648 8.9648 9.0244 9.0244 9.4830 9.4830 9.7664 9.7664 k = 0.2742-0.4378-0.8481 ( 4241 PWs) bands (ev): -34.3767 -34.3767 -34.3737 -34.3737 -15.6731 -15.6731 -15.6623 -15.6623 -15.3243 -15.3243 -15.2983 -15.2983 -15.2715 -15.2715 -15.2498 -15.2498 -7.0418 -7.0418 -1.9854 -1.9854 1.6045 1.6045 2.4060 2.4060 2.7307 2.7307 4.3107 4.3107 4.8574 4.8574 5.3448 5.3448 8.9590 8.9590 9.0777 9.0777 9.4352 9.4352 9.7428 9.7428 k = 0.2811-0.4488-0.8693 ( 4239 PWs) bands (ev): -34.3764 -34.3764 -34.3738 -34.3738 -15.6726 -15.6726 -15.6632 -15.6632 -15.3246 -15.3246 -15.2981 -15.2981 -15.2722 -15.2722 -15.2500 -15.2500 -7.0371 -7.0371 -1.9783 -1.9783 1.6029 1.6029 2.3889 2.3889 2.7153 2.7153 4.3240 4.3240 4.8241 4.8241 5.3533 5.3533 8.9528 8.9528 9.1338 9.1338 9.3812 9.3812 9.7234 9.7234 k = 0.2879-0.4597-0.8905 ( 4239 PWs) bands (ev): -34.3762 -34.3762 -34.3739 -34.3739 -15.6721 -15.6721 -15.6640 -15.6640 -15.3248 -15.3248 -15.2978 -15.2978 -15.2729 -15.2729 -15.2503 -15.2503 -7.0331 -7.0331 -1.9721 -1.9721 1.6032 1.6032 2.3703 2.3703 2.7027 2.7027 4.3406 4.3406 4.7913 4.7913 5.3623 5.3623 8.9467 8.9467 9.1918 9.1918 9.3221 9.3221 9.7083 9.7083 k = 0.2948-0.4706-0.9117 ( 4239 PWs) bands (ev): -34.3760 -34.3760 -34.3741 -34.3741 -15.6716 -15.6716 -15.6648 -15.6648 -15.3251 -15.3251 -15.2976 -15.2976 -15.2735 -15.2735 -15.2505 -15.2505 -7.0297 -7.0297 -1.9668 -1.9668 1.6051 1.6051 2.3512 2.3512 2.6924 2.6924 4.3604 4.3604 4.7593 4.7593 5.3714 5.3714 8.9405 8.9405 9.2481 9.2481 9.2620 9.2620 9.6978 9.6978 k = 0.3016-0.4816-0.9329 ( 4233 PWs) bands (ev): -34.3758 -34.3758 -34.3742 -34.3742 -15.6712 -15.6712 -15.6655 -15.6655 -15.3253 -15.3253 -15.2973 -15.2973 -15.2740 -15.2740 -15.2506 -15.2506 -7.0269 -7.0269 -1.9624 -1.9624 1.6080 1.6080 2.3327 2.3327 2.6837 2.6837 4.3834 4.3834 4.7281 4.7281 5.3807 5.3807 8.9337 8.9337 9.1923 9.1923 9.3120 9.3120 9.6923 9.6923 k = 0.3085-0.4925-0.9541 ( 4229 PWs) bands (ev): -34.3756 -34.3756 -34.3744 -34.3744 -15.6707 -15.6707 -15.6661 -15.6661 -15.3255 -15.3255 -15.2970 -15.2970 -15.2744 -15.2744 -15.2508 -15.2508 -7.0247 -7.0247 -1.9589 -1.9589 1.6113 1.6113 2.3158 2.3158 2.6764 2.6764 4.4095 4.4095 4.6978 4.6978 5.3899 5.3899 8.9254 8.9254 9.1255 9.1255 9.3723 9.3723 9.6920 9.6920 k = 0.3153-0.5035-0.9753 ( 4235 PWs) bands (ev): -34.3754 -34.3754 -34.3746 -34.3746 -15.6703 -15.6703 -15.6667 -15.6667 -15.3257 -15.3257 -15.2968 -15.2968 -15.2748 -15.2748 -15.2509 -15.2509 -7.0231 -7.0231 -1.9563 -1.9563 1.6144 1.6144 2.3018 2.3018 2.6700 2.6700 4.4385 4.4385 4.6687 4.6687 5.3988 5.3988 8.9130 8.9130 9.0609 9.0609 9.4317 9.4317 9.6976 9.6976 k = 0.3222-0.5144-0.9965 ( 4233 PWs) bands (ev): -34.3753 -34.3753 -34.3747 -34.3747 -15.6700 -15.6700 -15.6671 -15.6671 -15.3258 -15.3258 -15.2967 -15.2967 -15.2749 -15.2749 -15.2509 -15.2509 -7.0220 -7.0220 -1.9545 -1.9545 1.6165 1.6165 2.2913 2.2913 2.6645 2.6645 4.4703 4.4703 4.6408 4.6408 5.4074 5.4074 8.8897 8.8897 9.0059 9.0059 9.4887 9.4887 9.7103 9.7103 k = 0.3291-0.5254-1.0177 ( 4235 PWs) bands (ev): -34.3751 -34.3751 -34.3749 -34.3749 -15.6698 -15.6698 -15.6674 -15.6674 -15.3259 -15.3259 -15.2967 -15.2967 -15.2750 -15.2750 -15.2509 -15.2509 -7.0215 -7.0215 -1.9535 -1.9535 1.6168 1.6168 2.2852 2.2852 2.6598 2.6598 4.5048 4.5048 4.6143 4.6143 5.4155 5.4155 8.8457 8.8457 8.9708 8.9708 9.5413 9.5413 9.7315 9.7315 k = 0.3359-0.5363-1.0389 ( 4237 PWs) bands (ev): -34.3750 -34.3750 -34.3749 -34.3749 -15.6698 -15.6698 -15.6674 -15.6674 -15.3259 -15.3259 -15.2968 -15.2968 -15.2749 -15.2749 -15.2509 -15.2509 -7.0214 -7.0214 -1.9532 -1.9532 1.6149 1.6149 2.2838 2.2838 2.6561 2.6561 4.5413 4.5413 4.5895 4.5895 5.4230 5.4230 8.7838 8.7838 8.9533 8.9533 9.5872 9.5872 9.7630 9.7630 k = 0.3428-0.5473-1.0601 ( 4241 PWs) bands (ev): -34.3752 -34.3752 -34.3748 -34.3748 -15.6699 -15.6699 -15.6673 -15.6673 -15.3259 -15.3259 -15.2969 -15.2969 -15.2747 -15.2747 -15.2508 -15.2508 -7.0218 -7.0218 -1.9536 -1.9536 1.6104 1.6104 2.2873 2.2873 2.6538 2.6538 4.5615 4.5615 4.5849 4.5849 5.4300 5.4300 8.7139 8.7139 8.9437 8.9437 9.6256 9.6256 9.8049 9.8049 k = 0.6572-0.4036-0.9726 ( 4241 PWs) bands (ev): -34.3752 -34.3752 -34.3748 -34.3748 -15.6699 -15.6699 -15.6673 -15.6673 -15.3259 -15.3259 -15.2969 -15.2969 -15.2747 -15.2747 -15.2508 -15.2508 -7.0218 -7.0218 -1.9536 -1.9536 1.6104 1.6104 2.2873 2.2873 2.6538 2.6538 4.5615 4.5615 4.5849 4.5849 5.4300 5.4300 8.7139 8.7139 8.9437 8.9437 9.6256 9.6256 9.8049 9.8049 k = 0.6504-0.3798-0.9726 ( 4241 PWs) bands (ev): -34.3754 -34.3754 -34.3746 -34.3746 -15.6702 -15.6702 -15.6670 -15.6670 -15.3259 -15.3259 -15.2972 -15.2972 -15.2744 -15.2744 -15.2507 -15.2507 -7.0226 -7.0226 -1.9546 -1.9546 1.6030 1.6030 2.2952 2.2952 2.6532 2.6532 4.5409 4.5409 4.6247 4.6247 5.4363 5.4363 8.6413 8.6413 8.9372 8.9372 9.6579 9.6579 9.8551 9.8551 k = 0.6436-0.3560-0.9726 ( 4243 PWs) bands (ev): -34.3755 -34.3755 -34.3745 -34.3745 -15.6705 -15.6705 -15.6667 -15.6667 -15.3258 -15.3258 -15.2976 -15.2976 -15.2739 -15.2739 -15.2505 -15.2505 -7.0237 -7.0237 -1.9562 -1.9562 1.5928 1.5928 2.3068 2.3068 2.6550 2.6550 4.5199 4.5199 4.6683 4.6683 5.4420 5.4420 8.5678 8.5678 8.9321 8.9321 9.6866 9.6866 9.9106 9.9106 k = 0.6367-0.3322-0.9726 ( 4247 PWs) bands (ev): -34.3757 -34.3757 -34.3744 -34.3744 -15.6708 -15.6708 -15.6663 -15.6663 -15.3256 -15.3256 -15.2980 -15.2980 -15.2734 -15.2734 -15.2503 -15.2503 -7.0252 -7.0252 -1.9583 -1.9583 1.5802 1.5802 2.3208 2.3208 2.6601 2.6601 4.5001 4.5001 4.7140 4.7140 5.4469 5.4469 8.4943 8.4943 8.9274 8.9274 9.7135 9.7135 9.9686 9.9686 k = 0.6299-0.3084-0.9726 ( 4249 PWs) bands (ev): -34.3758 -34.3758 -34.3742 -34.3742 -15.6711 -15.6711 -15.6660 -15.6660 -15.3254 -15.3254 -15.2986 -15.2986 -15.2729 -15.2729 -15.2501 -15.2501 -7.0270 -7.0270 -1.9607 -1.9607 1.5655 1.5655 2.3356 2.3356 2.6696 2.6696 4.4816 4.4816 4.7615 4.7615 5.4512 5.4512 8.4212 8.4212 8.9230 8.9230 9.7397 9.7397 10.0274 10.0274 k = 0.6231-0.2846-0.9726 ( 4245 PWs) bands (ev): -34.3760 -34.3760 -34.3741 -34.3741 -15.6714 -15.6714 -15.6656 -15.6656 -15.3252 -15.3252 -15.2991 -15.2991 -15.2722 -15.2722 -15.2498 -15.2498 -7.0290 -7.0290 -1.9636 -1.9636 1.5492 1.5492 2.3497 2.3497 2.6844 2.6844 4.4644 4.4644 4.8105 4.8105 5.4548 5.4548 8.3490 8.3490 8.9184 8.9184 9.7656 9.7656 10.0849 10.0849 k = 0.6162-0.2608-0.9726 ( 4241 PWs) bands (ev): -34.3761 -34.3761 -34.3740 -34.3740 -15.6716 -15.6716 -15.6652 -15.6652 -15.3249 -15.3249 -15.2998 -15.2998 -15.2716 -15.2716 -15.2495 -15.2495 -7.0312 -7.0312 -1.9667 -1.9667 1.5317 1.5317 2.3616 2.3616 2.7052 2.7052 4.4485 4.4485 4.8607 4.8607 5.4578 5.4578 8.2777 8.2777 8.9135 8.9135 9.7913 9.7913 10.1092 10.1093 k = 0.6094-0.2371-0.9726 ( 4235 PWs) bands (ev): -34.3763 -34.3763 -34.3739 -34.3739 -15.6718 -15.6718 -15.6649 -15.6649 -15.3245 -15.3245 -15.3004 -15.3004 -15.2709 -15.2709 -15.2491 -15.2491 -7.0335 -7.0335 -1.9700 -1.9700 1.5135 1.5135 2.3706 2.3706 2.7323 2.7323 4.4339 4.4339 4.9120 4.9120 5.4602 5.4602 8.2076 8.2076 8.9082 8.9082 9.8167 9.8167 10.0342 10.0342 k = 0.6025-0.2133-0.9726 ( 4238 PWs) bands (ev): -34.3764 -34.3764 -34.3738 -34.3738 -15.6720 -15.6720 -15.6646 -15.6646 -15.3241 -15.3241 -15.3011 -15.3011 -15.2702 -15.2702 -15.2488 -15.2488 -7.0360 -7.0360 -1.9735 -1.9735 1.4950 1.4950 2.3762 2.3762 2.7652 2.7652 4.4205 4.4205 4.9640 4.9640 5.4621 5.4621 8.1388 8.1388 8.9025 8.9025 9.8415 9.8415 9.9477 9.9477 k = 0.5957-0.1895-0.9726 ( 4230 PWs) bands (ev): -34.3765 -34.3765 -34.3737 -34.3737 -15.6722 -15.6722 -15.6642 -15.6642 -15.3237 -15.3237 -15.3018 -15.3018 -15.2695 -15.2695 -15.2484 -15.2484 -7.0385 -7.0385 -1.9771 -1.9771 1.4765 1.4765 2.3789 2.3789 2.8030 2.8030 4.4083 4.4083 5.0164 5.0164 5.4635 5.4635 8.0713 8.0713 8.8962 8.8962 9.8499 9.8499 9.8733 9.8733 k = 0.5889-0.1657-0.9726 ( 4224 PWs) bands (ev): -34.3766 -34.3766 -34.3737 -34.3737 -15.6724 -15.6724 -15.6639 -15.6639 -15.3233 -15.3233 -15.3025 -15.3025 -15.2689 -15.2689 -15.2479 -15.2479 -7.0411 -7.0411 -1.9807 -1.9807 1.4584 1.4584 2.3791 2.3791 2.8445 2.8445 4.3973 4.3973 5.0688 5.0688 5.4644 5.4644 8.0053 8.0053 8.8892 8.8892 9.7632 9.7632 9.8923 9.8923 k = 0.5820-0.1419-0.9726 ( 4232 PWs) bands (ev): -34.3768 -34.3768 -34.3736 -34.3736 -15.6725 -15.6725 -15.6637 -15.6637 -15.3228 -15.3228 -15.3033 -15.3033 -15.2683 -15.2683 -15.2475 -15.2475 -7.0436 -7.0436 -1.9843 -1.9843 1.4408 1.4408 2.3774 2.3774 2.8886 2.8886 4.3874 4.3874 5.1210 5.1210 5.4651 5.4651 7.9410 7.9410 8.8817 8.8817 9.6723 9.6723 9.9153 9.9153 k = 0.5752-0.1181-0.9726 ( 4232 PWs) bands (ev): -34.3769 -34.3769 -34.3735 -34.3735 -15.6727 -15.6727 -15.6634 -15.6634 -15.3223 -15.3223 -15.3040 -15.3040 -15.2677 -15.2677 -15.2471 -15.2471 -7.0461 -7.0461 -1.9879 -1.9879 1.4240 1.4240 2.3744 2.3744 2.9339 2.9339 4.3785 4.3785 5.1724 5.1724 5.4654 5.4654 7.8784 7.8784 8.8735 8.8735 9.5838 9.5838 9.9379 9.9379 k = 0.5684-0.0943-0.9726 ( 4232 PWs) bands (ev): -34.3770 -34.3770 -34.3735 -34.3735 -15.6728 -15.6728 -15.6632 -15.6632 -15.3218 -15.3218 -15.3047 -15.3047 -15.2672 -15.2672 -15.2467 -15.2467 -7.0485 -7.0485 -1.9912 -1.9912 1.4082 1.4082 2.3705 2.3705 2.9794 2.9794 4.3707 4.3707 5.2227 5.2227 5.4655 5.4655 7.8180 7.8180 8.8647 8.8647 9.4993 9.4993 9.9595 9.9595 k = 0.5615-0.0705-0.9726 ( 4236 PWs) bands (ev): -34.3771 -34.3771 -34.3734 -34.3734 -15.6729 -15.6729 -15.6630 -15.6630 -15.3213 -15.3213 -15.3054 -15.3054 -15.2667 -15.2667 -15.2463 -15.2463 -7.0508 -7.0508 -1.9945 -1.9945 1.3935 1.3935 2.3662 2.3662 3.0241 3.0241 4.3639 4.3639 5.2712 5.2712 5.4655 5.4655 7.7600 7.7600 8.8555 8.8555 9.4202 9.4202 9.9802 9.9802 k = 0.5547-0.0467-0.9726 ( 4242 PWs) bands (ev): -34.3771 -34.3771 -34.3734 -34.3734 -15.6731 -15.6731 -15.6628 -15.6628 -15.3209 -15.3209 -15.3061 -15.3061 -15.2663 -15.2663 -15.2459 -15.2459 -7.0529 -7.0529 -1.9975 -1.9975 1.3801 1.3801 2.3617 2.3617 3.0669 3.0669 4.3580 4.3580 5.3174 5.3174 5.4654 5.4654 7.7050 7.7050 8.8458 8.8458 9.3477 9.3477 9.9997 9.9997 k = 0.5479-0.0229-0.9726 ( 4244 PWs) bands (ev): -34.3772 -34.3772 -34.3733 -34.3733 -15.6732 -15.6732 -15.6627 -15.6627 -15.3204 -15.3204 -15.3068 -15.3068 -15.2659 -15.2659 -15.2456 -15.2456 -7.0549 -7.0549 -2.0002 -2.0002 1.3680 1.3680 2.3572 2.3572 3.1071 3.1071 4.3529 4.3529 5.3606 5.3606 5.4654 5.4654 7.6534 7.6534 8.8360 8.8360 9.2826 9.2826 10.0179 10.0179 k = 0.5410 0.0009-0.9726 ( 4244 PWs) bands (ev): -34.3773 -34.3773 -34.3733 -34.3733 -15.6732 -15.6732 -15.6626 -15.6626 -15.3199 -15.3199 -15.3074 -15.3074 -15.2656 -15.2656 -15.2452 -15.2452 -7.0566 -7.0566 -2.0026 -2.0026 1.3574 1.3574 2.3530 2.3530 3.1437 3.1437 4.3487 4.3487 5.3997 5.3997 5.4659 5.4659 7.6062 7.6062 8.8261 8.8261 9.2256 9.2256 10.0345 10.0346 k = 0.5342 0.0247-0.9726 ( 4242 PWs) bands (ev): -34.3773 -34.3773 -34.3733 -34.3733 -15.6733 -15.6733 -15.6625 -15.6625 -15.3194 -15.3194 -15.3080 -15.3080 -15.2653 -15.2653 -15.2450 -15.2450 -7.0581 -7.0581 -2.0047 -2.0047 1.3483 1.3483 2.3493 2.3493 3.1760 3.1760 4.3453 4.3453 5.4327 5.4327 5.4683 5.4683 7.5639 7.5639 8.8165 8.8165 9.1774 9.1774 10.0494 10.0494 k = 0.5273 0.0485-0.9726 ( 4246 PWs) bands (ev): -34.3774 -34.3774 -34.3732 -34.3732 -15.6733 -15.6733 -15.6624 -15.6624 -15.3190 -15.3190 -15.3085 -15.3085 -15.2651 -15.2651 -15.2447 -15.2447 -7.0594 -7.0594 -2.0065 -2.0065 1.3407 1.3407 2.3461 2.3461 3.2034 3.2034 4.3425 4.3425 5.4526 5.4526 5.4786 5.4786 7.5277 7.5277 8.8076 8.8076 9.1381 9.1381 10.0622 10.0622 k = 0.5205 0.0723-0.9726 ( 4246 PWs) bands (ev): -34.3774 -34.3774 -34.3732 -34.3732 -15.6734 -15.6734 -15.6623 -15.6623 -15.3186 -15.3186 -15.3090 -15.3090 -15.2649 -15.2649 -15.2445 -15.2445 -7.0604 -7.0604 -2.0079 -2.0079 1.3348 1.3348 2.3435 2.3435 3.2254 3.2254 4.3405 4.3405 5.4577 5.4577 5.4980 5.4980 7.4982 7.4982 8.7999 8.7999 9.1078 9.1078 10.0725 10.0725 k = 0.5137 0.0961-0.9726 ( 4248 PWs) bands (ev): -34.3774 -34.3774 -34.3732 -34.3732 -15.6734 -15.6734 -15.6622 -15.6622 -15.3183 -15.3183 -15.3093 -15.3093 -15.2648 -15.2648 -15.2444 -15.2444 -7.0611 -7.0611 -2.0089 -2.0089 1.3306 1.3306 2.3416 2.3416 3.2414 3.2414 4.3390 4.3390 5.4589 5.4589 5.5148 5.5148 7.4765 7.4765 8.7939 8.7939 9.0864 9.0864 10.0801 10.0801 k = 0.5068 0.1199-0.9726 ( 4244 PWs) bands (ev): -34.3775 -34.3775 -34.3732 -34.3732 -15.6734 -15.6734 -15.6622 -15.6622 -15.3182 -15.3182 -15.3095 -15.3095 -15.2647 -15.2647 -15.2443 -15.2443 -7.0616 -7.0616 -2.0095 -2.0095 1.3280 1.3280 2.3404 2.3404 3.2511 3.2511 4.3382 4.3382 5.4593 5.4593 5.5256 5.5256 7.4632 7.4632 8.7901 8.7901 9.0737 9.0737 10.0848 10.0848 k = 0.5000 0.1437-0.9726 ( 4246 PWs) bands (ev): -34.3775 -34.3775 -34.3732 -34.3732 -15.6734 -15.6734 -15.6622 -15.6622 -15.3181 -15.3181 -15.3096 -15.3096 -15.2647 -15.2647 -15.2442 -15.2442 -7.0617 -7.0617 -2.0097 -2.0097 1.3272 1.3272 2.3400 2.3400 3.2544 3.2544 4.3379 4.3379 5.4593 5.4593 5.5292 5.5292 7.4587 7.4587 8.7887 8.7887 9.0695 9.0695 10.0864 10.0864 k = 0.5000 0.1437-0.9726 ( 4246 PWs) bands (ev): -34.3775 -34.3775 -34.3732 -34.3732 -15.6734 -15.6734 -15.6622 -15.6622 -15.3181 -15.3181 -15.3096 -15.3096 -15.2647 -15.2647 -15.2442 -15.2442 -7.0617 -7.0617 -2.0097 -2.0097 1.3272 1.3272 2.3400 2.3400 3.2544 3.2544 4.3379 4.3379 5.4593 5.4593 5.5292 5.5292 7.4587 7.4587 8.7887 8.7887 9.0695 9.0695 10.0864 10.0864 k = 0.5197 0.1493-0.9616 ( 4248 PWs) bands (ev): -34.3775 -34.3775 -34.3732 -34.3732 -15.6735 -15.6735 -15.6622 -15.6622 -15.3181 -15.3181 -15.3096 -15.3096 -15.2647 -15.2647 -15.2442 -15.2442 -7.0618 -7.0618 -2.0098 -2.0098 1.3277 1.3277 2.3403 2.3403 3.2545 3.2545 4.3367 4.3367 5.4579 5.4579 5.5292 5.5292 7.4603 7.4603 8.7920 8.7920 9.0713 9.0713 10.0861 10.0861 k = 0.5393 0.1549-0.9507 ( 4246 PWs) bands (ev): -34.3775 -34.3775 -34.3732 -34.3732 -15.6734 -15.6734 -15.6621 -15.6621 -15.3181 -15.3181 -15.3095 -15.3095 -15.2647 -15.2647 -15.2443 -15.2443 -7.0619 -7.0619 -2.0101 -2.0101 1.3291 1.3291 2.3411 2.3411 3.2548 3.2548 4.3331 4.3331 5.4536 5.4536 5.5291 5.5291 7.4654 7.4654 8.8016 8.8016 9.0768 9.0768 10.0852 10.0852 k = 0.5590 0.1606-0.9398 ( 4250 PWs) bands (ev): -34.3775 -34.3775 -34.3732 -34.3732 -15.6735 -15.6735 -15.6621 -15.6621 -15.3181 -15.3181 -15.3095 -15.3095 -15.2647 -15.2647 -15.2443 -15.2443 -7.0621 -7.0621 -2.0105 -2.0105 1.3314 1.3314 2.3423 2.3423 3.2553 3.2553 4.3272 4.3272 5.4465 5.4465 5.5290 5.5290 7.4737 7.4737 8.8174 8.8174 9.0860 9.0860 10.0837 10.0837 k = 0.5786 0.1662-0.9288 ( 4243 PWs) bands (ev): -34.3775 -34.3775 -34.3732 -34.3732 -15.6734 -15.6734 -15.6620 -15.6620 -15.3181 -15.3181 -15.3094 -15.3094 -15.2647 -15.2647 -15.2443 -15.2443 -7.0624 -7.0624 -2.0110 -2.0110 1.3347 1.3347 2.3441 2.3441 3.2560 3.2560 4.3191 4.3191 5.4368 5.4368 5.5288 5.5288 7.4853 7.4853 8.8388 8.8388 9.0989 9.0989 10.0818 10.0818 k = 0.5983 0.1719-0.9179 ( 4241 PWs) bands (ev): -34.3775 -34.3775 -34.3732 -34.3732 -15.6734 -15.6734 -15.6619 -15.6619 -15.3181 -15.3181 -15.3093 -15.3093 -15.2647 -15.2647 -15.2444 -15.2444 -7.0628 -7.0628 -2.0117 -2.0117 1.3389 1.3389 2.3463 2.3463 3.2569 3.2569 4.3089 4.3089 5.4247 5.4247 5.5287 5.5287 7.5000 7.5000 8.8653 8.8653 9.1156 9.1156 10.0796 10.0796 k = 0.6179 0.1775-0.9069 ( 4236 PWs) bands (ev): -34.3775 -34.3775 -34.3732 -34.3732 -15.6734 -15.6734 -15.6619 -15.6619 -15.3180 -15.3180 -15.3092 -15.3092 -15.2647 -15.2647 -15.2445 -15.2445 -7.0632 -7.0632 -2.0126 -2.0126 1.3439 1.3439 2.3490 2.3490 3.2580 3.2580 4.2968 4.2968 5.4104 5.4104 5.5287 5.5287 7.5177 7.5177 8.8958 8.8958 9.1360 9.1360 10.0772 10.0772 k = 0.6376 0.1832-0.8960 ( 4238 PWs) bands (ev): -34.3775 -34.3775 -34.3732 -34.3732 -15.6734 -15.6734 -15.6617 -15.6617 -15.3180 -15.3180 -15.3090 -15.3090 -15.2647 -15.2647 -15.2445 -15.2445 -7.0638 -7.0638 -2.0136 -2.0136 1.3497 1.3497 2.3521 2.3521 3.2592 3.2592 4.2829 4.2829 5.3943 5.3943 5.5287 5.5287 7.5383 7.5383 8.9294 8.9294 9.1605 9.1605 10.0747 10.0747 k = 0.6572 0.1888-0.8851 ( 4246 PWs) bands (ev): -34.3775 -34.3775 -34.3732 -34.3732 -15.6735 -15.6735 -15.6616 -15.6616 -15.3180 -15.3180 -15.3089 -15.3089 -15.2648 -15.2648 -15.2446 -15.2446 -7.0644 -7.0644 -2.0148 -2.0148 1.3563 1.3563 2.3555 2.3555 3.2607 3.2607 4.2676 4.2676 5.3767 5.3767 5.5288 5.5288 7.5616 7.5616 8.9647 8.9647 9.1891 9.1891 10.0724 10.0724 k = 0.6572 0.1888-0.8851 ( 4246 PWs) bands (ev): -34.3775 -34.3775 -34.3732 -34.3732 -15.6735 -15.6735 -15.6616 -15.6616 -15.3180 -15.3180 -15.3089 -15.3089 -15.2648 -15.2648 -15.2446 -15.2446 -7.0644 -7.0644 -2.0148 -2.0148 1.3563 1.3563 2.3555 2.3555 3.2607 3.2607 4.2676 4.2676 5.3767 5.3767 5.5288 5.5288 7.5616 7.5616 8.9647 8.9647 9.1891 9.1891 10.0724 10.0724 k = 0.6533 0.1877-0.8608 ( 4239 PWs) bands (ev): -34.3776 -34.3776 -34.3731 -34.3731 -15.6737 -15.6737 -15.6611 -15.6611 -15.3183 -15.3183 -15.3083 -15.3083 -15.2645 -15.2645 -15.2445 -15.2445 -7.0670 -7.0670 -2.0187 -2.0187 1.3661 1.3661 2.3512 2.3512 3.2632 3.2632 4.2879 4.2879 5.3726 5.3726 5.5303 5.5303 7.5544 7.5544 8.9698 8.9698 9.2022 9.2022 10.0418 10.0418 k = 0.6494 0.1866-0.8364 ( 4235 PWs) bands (ev): -34.3777 -34.3777 -34.3731 -34.3731 -15.6739 -15.6739 -15.6605 -15.6605 -15.3187 -15.3187 -15.3075 -15.3075 -15.2642 -15.2642 -15.2445 -15.2445 -7.0705 -7.0705 -2.0241 -2.0241 1.3798 1.3798 2.3470 2.3470 3.2669 3.2669 4.3106 4.3106 5.3659 5.3659 5.5322 5.5322 7.5509 7.5509 8.9734 8.9734 9.2196 9.2196 10.0109 10.0109 k = 0.6454 0.1854-0.8121 ( 4223 PWs) bands (ev): -34.3778 -34.3778 -34.3730 -34.3730 -15.6742 -15.6742 -15.6597 -15.6597 -15.3191 -15.3191 -15.3066 -15.3066 -15.2638 -15.2638 -15.2443 -15.2443 -7.0749 -7.0749 -2.0309 -2.0309 1.3972 1.3972 2.3431 2.3431 3.2719 3.2719 4.3357 4.3357 5.3565 5.3565 5.5342 5.5342 7.5513 7.5513 8.9760 8.9760 9.2406 9.2406 9.9798 9.9798 k = 0.6415 0.1843-0.7878 ( 4225 PWs) bands (ev): -34.3780 -34.3780 -34.3730 -34.3730 -15.6745 -15.6745 -15.6588 -15.6588 -15.3196 -15.3196 -15.3057 -15.3057 -15.2634 -15.2634 -15.2442 -15.2442 -7.0801 -7.0801 -2.0392 -2.0392 1.4183 1.4183 2.3397 2.3397 3.2781 3.2781 4.3630 4.3630 5.3443 5.3443 5.5365 5.5365 7.5557 7.5557 8.9779 8.9779 9.2647 9.2647 9.9485 9.9485 k = 0.6376 0.1832-0.7635 ( 4233 PWs) bands (ev): -34.3782 -34.3782 -34.3729 -34.3729 -15.6749 -15.6749 -15.6578 -15.6578 -15.3200 -15.3200 -15.3046 -15.3046 -15.2629 -15.2629 -15.2440 -15.2440 -7.0860 -7.0860 -2.0487 -2.0487 1.4428 1.4428 2.3370 2.3370 3.2855 3.2855 4.3924 4.3924 5.3292 5.3292 5.5390 5.5390 7.5643 7.5643 8.9798 8.9798 9.2912 9.2912 9.9173 9.9173 k = 0.6336 0.1821-0.7392 ( 4234 PWs) bands (ev): -34.3784 -34.3784 -34.3728 -34.3728 -15.6752 -15.6752 -15.6568 -15.6568 -15.3205 -15.3205 -15.3035 -15.3035 -15.2624 -15.2624 -15.2438 -15.2438 -7.0927 -7.0927 -2.0596 -2.0596 1.4705 1.4705 2.3353 2.3353 3.2943 3.2943 4.4239 4.4239 5.3114 5.3114 5.5417 5.5417 7.5770 7.5770 8.9820 8.9820 9.3194 9.3194 9.8860 9.8860 k = 0.6297 0.1809-0.7149 ( 4244 PWs) bands (ev): -34.3786 -34.3786 -34.3727 -34.3727 -15.6755 -15.6755 -15.6558 -15.6558 -15.3209 -15.3209 -15.3023 -15.3023 -15.2618 -15.2618 -15.2436 -15.2436 -7.1002 -7.1002 -2.0716 -2.0716 1.5010 1.5010 2.3347 2.3347 3.3042 3.3042 4.4572 4.4572 5.2908 5.2908 5.5446 5.5446 7.5939 7.5939 8.9849 8.9849 9.3487 9.3487 9.8548 9.8548 k = 0.6258 0.1798-0.6906 ( 4235 PWs) bands (ev): -34.3788 -34.3788 -34.3727 -34.3727 -15.6758 -15.6758 -15.6546 -15.6546 -15.3213 -15.3213 -15.3010 -15.3010 -15.2611 -15.2611 -15.2434 -15.2434 -7.1082 -7.1082 -2.0848 -2.0848 1.5341 1.5341 2.3357 2.3357 3.3154 3.3154 4.4924 4.4924 5.2676 5.2676 5.5477 5.5477 7.6150 7.6150 8.9891 8.9891 9.3786 9.3786 9.8238 9.8238 k = 0.6219 0.1787-0.6662 ( 4235 PWs) bands (ev): -34.3790 -34.3790 -34.3726 -34.3726 -15.6760 -15.6760 -15.6534 -15.6534 -15.3216 -15.3216 -15.2997 -15.2997 -15.2604 -15.2604 -15.2431 -15.2431 -7.1169 -7.1169 -2.0990 -2.0990 1.5694 1.5694 2.3384 2.3384 3.3277 3.3277 4.5293 4.5293 5.2419 5.2419 5.5509 5.5509 7.6402 7.6402 8.9947 8.9947 9.4083 9.4083 9.7929 9.7929 k = 0.6179 0.1775-0.6419 ( 4240 PWs) bands (ev): -34.3793 -34.3793 -34.3725 -34.3725 -15.6763 -15.6763 -15.6522 -15.6522 -15.3220 -15.3220 -15.2984 -15.2984 -15.2596 -15.2596 -15.2429 -15.2429 -7.1262 -7.1262 -2.1141 -2.1141 1.6063 1.6063 2.3433 2.3433 3.3412 3.3412 4.5677 4.5677 5.2138 5.2138 5.5543 5.5543 7.6693 7.6693 9.0020 9.0020 9.4375 9.4375 9.7622 9.7622 k = 0.6140 0.1764-0.6176 ( 4242 PWs) bands (ev): -34.3795 -34.3795 -34.3724 -34.3724 -15.6765 -15.6765 -15.6509 -15.6509 -15.3223 -15.3223 -15.2970 -15.2970 -15.2589 -15.2589 -15.2425 -15.2425 -7.1359 -7.1359 -2.1301 -2.1301 1.6444 1.6444 2.3508 2.3508 3.3558 3.3558 4.6076 4.6076 5.1837 5.1837 5.5577 5.5577 7.7023 7.7023 9.0114 9.0114 9.4655 9.4655 9.7316 9.7316 k = 0.6101 0.1753-0.5933 ( 4246 PWs) bands (ev): -34.3798 -34.3798 -34.3724 -34.3724 -15.6767 -15.6767 -15.6496 -15.6496 -15.3226 -15.3226 -15.2955 -15.2955 -15.2581 -15.2581 -15.2422 -15.2422 -7.1460 -7.1460 -2.1468 -2.1468 1.6831 1.6831 2.3614 2.3614 3.3714 3.3714 4.6488 4.6488 5.1518 5.1518 5.5612 5.5612 7.7389 7.7389 9.0228 9.0228 9.4920 9.4920 9.7014 9.7014 k = 0.6061 0.1741-0.5690 ( 4242 PWs) bands (ev): -34.3800 -34.3800 -34.3723 -34.3723 -15.6769 -15.6769 -15.6483 -15.6483 -15.3228 -15.3228 -15.2941 -15.2941 -15.2573 -15.2573 -15.2419 -15.2419 -7.1565 -7.1565 -2.1642 -2.1642 1.7216 1.7216 2.3755 2.3755 3.3880 3.3880 4.6913 4.6913 5.1182 5.1182 5.5648 5.5648 7.7790 7.7790 9.0365 9.0365 9.5166 9.5166 9.6714 9.6714 k = 0.6022 0.1730-0.5447 ( 4241 PWs) bands (ev): -34.3803 -34.3803 -34.3722 -34.3722 -15.6770 -15.6770 -15.6470 -15.6470 -15.3230 -15.3230 -15.2926 -15.2926 -15.2564 -15.2564 -15.2415 -15.2415 -7.1674 -7.1674 -2.1822 -2.1822 1.7592 1.7592 2.3938 2.3938 3.4056 3.4056 4.7348 4.7348 5.0834 5.0834 5.5684 5.5684 7.8224 7.8224 9.0525 9.0525 9.5389 9.5389 9.6417 9.6417 k = 0.5983 0.1719-0.5204 ( 4241 PWs) bands (ev): -34.3805 -34.3805 -34.3722 -34.3722 -15.6772 -15.6772 -15.6457 -15.6457 -15.3233 -15.3233 -15.2911 -15.2911 -15.2556 -15.2556 -15.2411 -15.2411 -7.1784 -7.1784 -2.2005 -2.2005 1.7953 1.7953 2.4166 2.4166 3.4241 3.4241 4.7792 4.7792 5.0475 5.0475 5.5720 5.5720 7.8687 7.8687 9.0708 9.0708 9.5589 9.5589 9.6124 9.6124 k = 0.5943 0.1708-0.4960 ( 4237 PWs) bands (ev): -34.3808 -34.3808 -34.3721 -34.3721 -15.6773 -15.6773 -15.6443 -15.6443 -15.3234 -15.3234 -15.2895 -15.2895 -15.2547 -15.2547 -15.2406 -15.2406 -7.1897 -7.1897 -2.2192 -2.2192 1.8291 1.8291 2.4445 2.4445 3.4435 3.4435 4.8243 4.8243 5.0108 5.0108 5.5756 5.5756 7.9178 7.9178 9.0913 9.0913 9.5764 9.5764 9.5836 9.5836 k = 0.5904 0.1696-0.4717 ( 4231 PWs) bands (ev): -34.3810 -34.3810 -34.3721 -34.3721 -15.6774 -15.6774 -15.6430 -15.6430 -15.3236 -15.3236 -15.2879 -15.2879 -15.2539 -15.2539 -15.2401 -15.2401 -7.2010 -7.2010 -2.2381 -2.2381 1.8602 1.8602 2.4777 2.4777 3.4636 3.4636 4.8697 4.8697 4.9739 4.9739 5.5792 5.5792 7.9694 7.9694 9.1138 9.1138 9.5551 9.5551 9.5915 9.5915 k = 0.5865 0.1685-0.4474 ( 4227 PWs) bands (ev): -34.3813 -34.3813 -34.3720 -34.3720 -15.6775 -15.6775 -15.6417 -15.6417 -15.3237 -15.3237 -15.2864 -15.2864 -15.2531 -15.2531 -15.2396 -15.2396 -7.2124 -7.2124 -2.2571 -2.2571 1.8882 1.8882 2.5162 2.5162 3.4845 3.4845 4.9116 4.9116 4.9407 4.9407 5.5828 5.5828 8.0231 8.0231 9.1381 9.1381 9.5273 9.5273 9.6042 9.6042 k = 0.5825 0.1674-0.4231 ( 4225 PWs) bands (ev): -34.3815 -34.3815 -34.3720 -34.3720 -15.6775 -15.6775 -15.6404 -15.6404 -15.3239 -15.3239 -15.2848 -15.2848 -15.2523 -15.2523 -15.2390 -15.2390 -7.2238 -7.2238 -2.2761 -2.2761 1.9130 1.9130 2.5598 2.5598 3.5060 3.5060 4.8946 4.8946 4.9665 4.9665 5.5863 5.5863 8.0786 8.0786 9.1639 9.1639 9.5002 9.5002 9.6147 9.6147 k = 0.5786 0.1662-0.3988 ( 4219 PWs) bands (ev): -34.3817 -34.3817 -34.3719 -34.3719 -15.6776 -15.6776 -15.6391 -15.6391 -15.3240 -15.3240 -15.2832 -15.2832 -15.2516 -15.2516 -15.2384 -15.2384 -7.2351 -7.2351 -2.2950 -2.2950 1.9347 1.9347 2.6081 2.6081 3.5283 3.5283 4.8576 4.8576 5.0125 5.0125 5.5897 5.5897 8.1355 8.1355 9.1907 9.1907 9.4738 9.4738 9.6234 9.6234 k = 0.5747 0.1651-0.3745 ( 4221 PWs) bands (ev): -34.3820 -34.3820 -34.3719 -34.3719 -15.6777 -15.6777 -15.6379 -15.6379 -15.3241 -15.3241 -15.2816 -15.2816 -15.2510 -15.2510 -15.2378 -15.2378 -7.2462 -7.2462 -2.3138 -2.3138 1.9535 1.9535 2.6605 2.6605 3.5511 3.5511 4.8202 4.8202 5.0591 5.0591 5.5930 5.5930 8.1935 8.1935 9.2180 9.2180 9.4482 9.4482 9.6304 9.6304 k = 0.5708 0.1640-0.3502 ( 4220 PWs) bands (ev): -34.3822 -34.3822 -34.3719 -34.3719 -15.6777 -15.6777 -15.6367 -15.6367 -15.3242 -15.3242 -15.2801 -15.2801 -15.2504 -15.2504 -15.2371 -15.2371 -7.2572 -7.2572 -2.3322 -2.3322 1.9698 1.9698 2.7163 2.7163 3.5745 3.5745 4.7829 4.7829 5.1057 5.1057 5.5962 5.5962 8.2519 8.2519 9.2450 9.2450 9.4235 9.4235 9.6354 9.6354 k = 0.5668 0.1629-0.3258 ( 4221 PWs) bands (ev): -34.3824 -34.3824 -34.3719 -34.3719 -15.6777 -15.6777 -15.6355 -15.6355 -15.3242 -15.3242 -15.2785 -15.2785 -15.2499 -15.2499 -15.2363 -15.2363 -7.2679 -7.2679 -2.3502 -2.3502 1.9838 1.9838 2.7745 2.7745 3.5985 3.5985 4.7461 4.7461 5.1518 5.1518 5.5992 5.5992 8.3104 8.3104 9.2710 9.2710 9.3999 9.3999 9.6363 9.6363 k = 0.5629 0.1617-0.3015 ( 4221 PWs) bands (ev): -34.3827 -34.3827 -34.3718 -34.3718 -15.6778 -15.6778 -15.6344 -15.6344 -15.3243 -15.3243 -15.2770 -15.2770 -15.2495 -15.2495 -15.2356 -15.2356 -7.2783 -7.2783 -2.3677 -2.3677 1.9960 1.9960 2.8345 2.8345 3.6231 3.6231 4.7099 4.7099 5.1972 5.1972 5.6022 5.6022 8.3682 8.3682 9.2951 9.2951 9.3774 9.3774 9.6280 9.6280 k = 0.5590 0.1606-0.2772 ( 4229 PWs) bands (ev): -34.3829 -34.3829 -34.3718 -34.3718 -15.6778 -15.6778 -15.6333 -15.6333 -15.3244 -15.3244 -15.2755 -15.2755 -15.2492 -15.2492 -15.2348 -15.2348 -7.2883 -7.2883 -2.3846 -2.3846 2.0066 2.0066 2.8954 2.8954 3.6483 3.6483 4.6745 4.6745 5.2417 5.2417 5.6050 5.6050 8.4246 8.4246 9.3165 9.3165 9.3561 9.3561 9.6018 9.6018 k = 0.5550 0.1595-0.2529 ( 4225 PWs) bands (ev): -34.3831 -34.3831 -34.3718 -34.3718 -15.6778 -15.6778 -15.6323 -15.6323 -15.3244 -15.3244 -15.2741 -15.2741 -15.2489 -15.2489 -15.2340 -15.2340 -7.2980 -7.2980 -2.4008 -2.4008 2.0158 2.0158 2.9564 2.9564 3.6741 3.6741 4.6400 4.6400 5.2850 5.2850 5.6076 5.6076 8.4786 8.4786 9.3332 9.3332 9.3377 9.3377 9.5560 9.5560 k = 0.5511 0.1583-0.2286 ( 4232 PWs) bands (ev): -34.3833 -34.3833 -34.3718 -34.3718 -15.6779 -15.6779 -15.6313 -15.6313 -15.3245 -15.3245 -15.2727 -15.2727 -15.2487 -15.2487 -15.2332 -15.2332 -7.3071 -7.3071 -2.4164 -2.4164 2.0240 2.0240 3.0165 3.0165 3.7006 3.7006 4.6064 4.6064 5.3268 5.3268 5.6101 5.6101 8.5291 8.5291 9.3170 9.3170 9.3503 9.3503 9.4996 9.4996 k = 0.5472 0.1572-0.2043 ( 4238 PWs) bands (ev): -34.3834 -34.3834 -34.3718 -34.3718 -15.6779 -15.6779 -15.6304 -15.6304 -15.3245 -15.3245 -15.2713 -15.2713 -15.2486 -15.2486 -15.2324 -15.2324 -7.3158 -7.3158 -2.4310 -2.4310 2.0312 2.0312 3.0751 3.0751 3.7278 3.7278 4.5737 4.5737 5.3668 5.3668 5.6125 5.6125 8.5747 8.5747 9.2996 9.2996 9.3609 9.3609 9.4428 9.4428 k = 0.5432 0.1561-0.1800 ( 4236 PWs) bands (ev): -34.3836 -34.3836 -34.3718 -34.3718 -15.6779 -15.6779 -15.6295 -15.6295 -15.3245 -15.3245 -15.2700 -15.2700 -15.2486 -15.2486 -15.2317 -15.2317 -7.3239 -7.3239 -2.4448 -2.4448 2.0376 2.0376 3.1314 3.1314 3.7559 3.7559 4.5421 4.5421 5.4047 5.4047 5.6147 5.6147 8.6136 8.6136 9.2837 9.2837 9.3568 9.3568 9.4021 9.4021 k = 0.5393 0.1549-0.1556 ( 4237 PWs) bands (ev): -34.3838 -34.3838 -34.3718 -34.3718 -15.6779 -15.6779 -15.6287 -15.6287 -15.3245 -15.3245 -15.2687 -15.2687 -15.2486 -15.2486 -15.2309 -15.2309 -7.3315 -7.3315 -2.4576 -2.4576 2.0432 2.0432 3.1845 3.1845 3.7847 3.7847 4.5115 4.5115 5.4403 5.4403 5.6167 5.6167 8.6440 8.6440 9.2692 9.2692 9.3205 9.3205 9.3999 9.3999 k = 0.5354 0.1538-0.1313 ( 4243 PWs) bands (ev): -34.3839 -34.3839 -34.3718 -34.3718 -15.6779 -15.6779 -15.6280 -15.6280 -15.3246 -15.3246 -15.2675 -15.2675 -15.2486 -15.2486 -15.2302 -15.2302 -7.3385 -7.3385 -2.4694 -2.4694 2.0482 2.0482 3.2339 3.2339 3.8143 3.8143 4.4821 4.4821 5.4733 5.4733 5.6187 5.6187 8.6643 8.6643 9.2561 9.2561 9.2815 9.2815 9.4101 9.4101 k = 0.5314 0.1527-0.1070 ( 4243 PWs) bands (ev): -34.3840 -34.3840 -34.3718 -34.3718 -15.6780 -15.6780 -15.6273 -15.6273 -15.3246 -15.3246 -15.2663 -15.2663 -15.2487 -15.2487 -15.2295 -15.2295 -7.3448 -7.3448 -2.4801 -2.4801 2.0526 2.0526 3.2788 3.2788 3.8445 3.8445 4.4537 4.4537 5.5033 5.5033 5.6205 5.6205 8.6736 8.6736 9.2438 9.2438 9.2516 9.2516 9.4240 9.4240 k = 0.5275 0.1516-0.0827 ( 4239 PWs) bands (ev): -34.3841 -34.3841 -34.3718 -34.3718 -15.6779 -15.6779 -15.6267 -15.6267 -15.3246 -15.3246 -15.2653 -15.2653 -15.2488 -15.2488 -15.2289 -15.2289 -7.3504 -7.3504 -2.4896 -2.4896 2.0564 2.0564 3.3188 3.3188 3.8750 3.8750 4.4264 4.4264 5.5302 5.5302 5.6223 5.6223 8.6723 8.6723 9.2284 9.2284 9.2358 9.2358 9.4409 9.4409 k = 0.5236 0.1504-0.0584 ( 4235 PWs) bands (ev): -34.3842 -34.3842 -34.3717 -34.3717 -15.6779 -15.6779 -15.6262 -15.6262 -15.3246 -15.3246 -15.2643 -15.2643 -15.2490 -15.2490 -15.2284 -15.2284 -7.3553 -7.3553 -2.4980 -2.4980 2.0596 2.0596 3.3537 3.3537 3.9054 3.9054 4.4005 4.4005 5.5537 5.5537 5.6242 5.6242 8.6627 8.6627 9.2159 9.2159 9.2267 9.2267 9.4606 9.4606 k = 0.5197 0.1493-0.0341 ( 4235 PWs) bands (ev): -34.3843 -34.3843 -34.3717 -34.3717 -15.6780 -15.6780 -15.6257 -15.6257 -15.3246 -15.3246 -15.2634 -15.2634 -15.2492 -15.2492 -15.2279 -15.2279 -7.3595 -7.3595 -2.5052 -2.5052 2.0624 2.0624 3.3831 3.3831 3.9350 3.9350 4.3760 4.3760 5.5733 5.5733 5.6262 5.6262 8.6479 8.6479 9.2089 9.2089 9.2194 9.2194 9.4824 9.4824 k = 0.5157 0.1482-0.0098 ( 4236 PWs) bands (ev): -34.3844 -34.3844 -34.3717 -34.3717 -15.6780 -15.6780 -15.6254 -15.6254 -15.3246 -15.3246 -15.2627 -15.2627 -15.2494 -15.2494 -15.2275 -15.2275 -7.3630 -7.3630 -2.5111 -2.5111 2.0646 2.0646 3.4070 3.4070 3.9628 3.9628 4.3536 4.3536 5.5888 5.5888 5.6286 5.6286 8.6313 8.6313 9.2055 9.2055 9.2135 9.2135 9.5050 9.5050 k = 0.5118 0.1470 0.0146 ( 4236 PWs) bands (ev): -34.3844 -34.3844 -34.3718 -34.3718 -15.6780 -15.6780 -15.6250 -15.6250 -15.3246 -15.3246 -15.2621 -15.2621 -15.2496 -15.2496 -15.2272 -15.2272 -7.3657 -7.3657 -2.5157 -2.5157 2.0663 2.0663 3.4255 3.4255 3.9874 3.9874 4.3337 4.3337 5.5999 5.5999 5.6316 5.6316 8.6156 8.6156 9.2040 9.2040 9.2091 9.2091 9.5263 9.5263 k = 0.5079 0.1459 0.0389 ( 4238 PWs) bands (ev): -34.3844 -34.3844 -34.3718 -34.3718 -15.6780 -15.6780 -15.6248 -15.6248 -15.3246 -15.3246 -15.2616 -15.2616 -15.2497 -15.2497 -15.2269 -15.2269 -7.3676 -7.3676 -2.5190 -2.5190 2.0676 2.0676 3.4387 3.4387 4.0073 4.0073 4.3178 4.3178 5.6067 5.6067 5.6348 5.6348 8.6031 8.6031 9.2033 9.2033 9.2060 9.2060 9.5442 9.5442 k = 0.5039 0.1448 0.0632 ( 4241 PWs) bands (ev): -34.3845 -34.3845 -34.3718 -34.3718 -15.6780 -15.6780 -15.6247 -15.6247 -15.3246 -15.3246 -15.2613 -15.2613 -15.2498 -15.2498 -15.2268 -15.2268 -7.3688 -7.3688 -2.5210 -2.5210 2.0683 2.0683 3.4465 3.4465 4.0204 4.0204 4.3072 4.3072 5.6102 5.6102 5.6374 5.6374 8.5950 8.5950 9.2028 9.2028 9.2046 9.2046 9.5561 9.5561 k = 0.5000 0.1437 0.0875 ( 4254 PWs) bands (ev): -34.3845 -34.3845 -34.3718 -34.3718 -15.6781 -15.6781 -15.6247 -15.6247 -15.3247 -15.3247 -15.2613 -15.2613 -15.2499 -15.2499 -15.2268 -15.2268 -7.3692 -7.3692 -2.5217 -2.5217 2.0686 2.0686 3.4491 3.4491 4.0250 4.0250 4.3034 4.3034 5.6112 5.6112 5.6384 5.6384 8.5922 8.5922 9.2024 9.2024 9.2042 9.2042 9.5603 9.5603 k = 0.5000-0.7983-0.4863 ( 4246 PWs) bands (ev): -34.3774 -34.3774 -34.3733 -34.3733 -15.6729 -15.6729 -15.6616 -15.6616 -15.3167 -15.3167 -15.3087 -15.3087 -15.2666 -15.2666 -15.2459 -15.2459 -7.0621 -7.0621 -2.0163 -2.0163 1.4162 1.4162 2.4578 2.4578 3.2867 3.2867 3.8962 3.8962 5.1643 5.1643 5.5211 5.5211 8.0721 8.0721 9.0561 9.0561 9.6402 9.6402 10.3676 10.3692 k = 0.5210-0.7887-0.4805 ( 4247 PWs) bands (ev): -34.3774 -34.3774 -34.3733 -34.3733 -15.6729 -15.6729 -15.6616 -15.6616 -15.3167 -15.3167 -15.3087 -15.3087 -15.2666 -15.2666 -15.2459 -15.2459 -7.0621 -7.0621 -2.0163 -2.0163 1.4158 1.4158 2.4570 2.4570 3.2864 3.2864 3.8989 3.8989 5.1655 5.1655 5.5211 5.5211 8.0675 8.0675 9.0592 9.0592 9.6361 9.6361 10.3644 10.3673 k = 0.5419-0.7792-0.4746 ( 4241 PWs) bands (ev): -34.3774 -34.3774 -34.3733 -34.3733 -15.6729 -15.6729 -15.6616 -15.6616 -15.3167 -15.3167 -15.3087 -15.3087 -15.2665 -15.2665 -15.2459 -15.2459 -7.0621 -7.0621 -2.0162 -2.0162 1.4145 1.4145 2.4544 2.4544 3.2854 3.2854 3.9070 3.9070 5.1693 5.1693 5.5213 5.5213 8.0537 8.0537 9.0680 9.0680 9.6241 9.6241 10.3542 10.3639 k = 0.5629-0.7696-0.4688 ( 4238 PWs) bands (ev): -34.3774 -34.3774 -34.3733 -34.3733 -15.6729 -15.6729 -15.6616 -15.6616 -15.3167 -15.3167 -15.3087 -15.3087 -15.2664 -15.2664 -15.2458 -15.2458 -7.0622 -7.0622 -2.0161 -2.0161 1.4123 1.4123 2.4503 2.4503 3.2839 3.2839 3.9203 3.9203 5.1756 5.1756 5.5216 5.5216 8.0318 8.0318 9.0812 9.0812 9.6047 9.6047 10.3388 10.3415 k = 0.5839-0.7600-0.4630 ( 4237 PWs) bands (ev): -34.3774 -34.3774 -34.3733 -34.3733 -15.6729 -15.6729 -15.6616 -15.6616 -15.3168 -15.3168 -15.3087 -15.3087 -15.2664 -15.2664 -15.2457 -15.2457 -7.0622 -7.0622 -2.0159 -2.0159 1.4094 1.4094 2.4448 2.4448 3.2820 3.2820 3.9383 3.9383 5.1843 5.1843 5.5219 5.5219 8.0029 8.0029 9.0968 9.0968 9.5790 9.5790 10.3186 10.3205 k = 0.6048-0.7504-0.4571 ( 4237 PWs) bands (ev): -34.3774 -34.3774 -34.3733 -34.3733 -15.6729 -15.6729 -15.6617 -15.6617 -15.3168 -15.3168 -15.3088 -15.3088 -15.2663 -15.2663 -15.2457 -15.2457 -7.0623 -7.0623 -2.0157 -2.0157 1.4057 1.4057 2.4380 2.4380 3.2797 3.2797 3.9605 3.9605 5.1952 5.1952 5.5224 5.5224 7.9684 7.9684 9.1126 9.1126 9.5482 9.5482 10.2953 10.2953 k = 0.6258-0.7408-0.4513 ( 4240 PWs) bands (ev): -34.3774 -34.3774 -34.3732 -34.3732 -15.6730 -15.6730 -15.6617 -15.6617 -15.3169 -15.3169 -15.3088 -15.3088 -15.2661 -15.2661 -15.2456 -15.2456 -7.0624 -7.0624 -2.0155 -2.0155 1.4014 1.4014 2.4303 2.4303 3.2773 3.2773 3.9863 3.9863 5.2083 5.2083 5.5229 5.5229 7.9296 7.9296 9.1259 9.1259 9.5134 9.5134 10.2699 10.2699 k = 0.6468-0.7313-0.4455 ( 4240 PWs) bands (ev): -34.3774 -34.3774 -34.3732 -34.3732 -15.6730 -15.6730 -15.6617 -15.6617 -15.3170 -15.3170 -15.3088 -15.3088 -15.2660 -15.2660 -15.2455 -15.2455 -7.0626 -7.0626 -2.0153 -2.0153 1.3967 1.3967 2.4219 2.4219 3.2748 3.2748 4.0150 4.0150 5.2233 5.2233 5.5235 5.5235 7.8879 7.8879 9.1345 9.1345 9.4760 9.4760 10.2435 10.2435 k = 0.6677-0.7217-0.4396 ( 4240 PWs) bands (ev): -34.3774 -34.3774 -34.3732 -34.3732 -15.6731 -15.6731 -15.6617 -15.6617 -15.3171 -15.3171 -15.3089 -15.3089 -15.2659 -15.2659 -15.2454 -15.2454 -7.0627 -7.0627 -2.0151 -2.0151 1.3915 1.3915 2.4129 2.4129 3.2723 3.2723 4.0460 4.0460 5.2400 5.2400 5.5241 5.5241 7.8443 7.8443 9.1364 9.1364 9.4371 9.4371 10.2169 10.2169 k = 0.6887-0.7121-0.4338 ( 4238 PWs) bands (ev): -34.3775 -34.3775 -34.3732 -34.3732 -15.6731 -15.6731 -15.6617 -15.6617 -15.3172 -15.3172 -15.3089 -15.3089 -15.2657 -15.2657 -15.2453 -15.2453 -7.0629 -7.0629 -2.0149 -2.0149 1.3861 1.3861 2.4038 2.4038 3.2700 3.2700 4.0785 4.0785 5.2581 5.2581 5.5248 5.5248 7.8000 7.8000 9.1304 9.1304 9.3978 9.3978 10.1910 10.1910 k = 0.7096-0.7025-0.4279 ( 4235 PWs) bands (ev): -34.3775 -34.3775 -34.3732 -34.3732 -15.6732 -15.6732 -15.6617 -15.6617 -15.3174 -15.3174 -15.3089 -15.3089 -15.2655 -15.2655 -15.2452 -15.2452 -7.0631 -7.0631 -2.0147 -2.0147 1.3805 1.3805 2.3946 2.3946 3.2679 3.2679 4.1118 4.1118 5.2774 5.2774 5.5255 5.5255 7.7556 7.7556 9.1162 9.1162 9.3589 9.3589 10.1661 10.1661 k = 0.7306-0.6930-0.4221 ( 4234 PWs) bands (ev): -34.3775 -34.3775 -34.3732 -34.3732 -15.6732 -15.6732 -15.6617 -15.6617 -15.3175 -15.3175 -15.3089 -15.3089 -15.2654 -15.2654 -15.2451 -15.2451 -7.0633 -7.0633 -2.0146 -2.0146 1.3751 1.3751 2.3857 2.3857 3.2659 3.2659 4.1453 4.1453 5.2975 5.2975 5.5262 5.5262 7.7121 7.7121 9.0945 9.0945 9.3210 9.3210 10.1428 10.1428 k = 0.7516-0.6834-0.4163 ( 4241 PWs) bands (ev): -34.3775 -34.3775 -34.3732 -34.3732 -15.6733 -15.6733 -15.6617 -15.6617 -15.3176 -15.3176 -15.3089 -15.3089 -15.2652 -15.2652 -15.2450 -15.2450 -7.0635 -7.0635 -2.0145 -2.0145 1.3697 1.3697 2.3772 2.3772 3.2642 3.2642 4.1783 4.1783 5.3179 5.3179 5.5269 5.5269 7.6703 7.6703 9.0667 9.0667 9.2846 9.2846 10.1215 10.1215 k = 0.7725-0.6738-0.4104 ( 4236 PWs) bands (ev): -34.3775 -34.3775 -34.3732 -34.3732 -15.6733 -15.6733 -15.6617 -15.6617 -15.3177 -15.3177 -15.3089 -15.3089 -15.2651 -15.2651 -15.2448 -15.2448 -7.0638 -7.0638 -2.0145 -2.0145 1.3648 1.3648 2.3692 2.3692 3.2628 3.2628 4.2101 4.2101 5.3382 5.3382 5.5275 5.5275 7.6308 7.6308 9.0346 9.0346 9.2502 9.2502 10.1025 10.1025 k = 0.7935-0.6642-0.4046 ( 4242 PWs) bands (ev): -34.3775 -34.3775 -34.3732 -34.3732 -15.6734 -15.6734 -15.6617 -15.6617 -15.3179 -15.3179 -15.3089 -15.3089 -15.2649 -15.2649 -15.2447 -15.2447 -7.0641 -7.0641 -2.0146 -2.0146 1.3602 1.3602 2.3620 2.3620 3.2616 3.2616 4.2401 4.2401 5.3580 5.3580 5.5282 5.5282 7.5943 7.5943 9.0001 9.0001 9.2182 9.2182 10.0861 10.0861 k = 0.8145-0.6547-0.3988 ( 4246 PWs) bands (ev): -34.3775 -34.3775 -34.3732 -34.3732 -15.6735 -15.6735 -15.6616 -15.6616 -15.3180 -15.3180 -15.3089 -15.3089 -15.2648 -15.2648 -15.2446 -15.2446 -7.0644 -7.0644 -2.0148 -2.0148 1.3563 1.3563 2.3555 2.3555 3.2607 3.2607 4.2676 4.2676 5.3767 5.3767 5.5288 5.5288 7.5616 7.5616 8.9647 8.9647 9.1891 9.1891 10.0724 10.0724 Writing output data file Ca2PI.save init_run : 1.37s CPU 0.79s WALL ( 1 calls) electrons : 884.68s CPU 800.81s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.02s WALL ( 1 calls) potinit : 0.25s CPU 0.16s WALL ( 1 calls) Called by electrons: c_bands : 884.67s CPU 800.80s WALL ( 1 calls) v_of_rho : 0.04s CPU 0.02s WALL ( 1 calls) v_h : 0.01s CPU 0.00s WALL ( 1 calls) v_xc : 0.04s CPU 0.02s WALL ( 1 calls) newd : 0.26s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.14s CPU 0.13s WALL ( 284 calls) cegterg : 824.17s CPU 766.33s WALL ( 900 calls) Called by sum_band: Called by *egterg: h_psi : 424.72s CPU 355.21s WALL ( 17192 calls) s_psi : 7.01s CPU 5.86s WALL ( 17192 calls) g_psi : 0.13s CPU 0.15s WALL ( 16008 calls) cdiaghg : 396.78s CPU 387.51s WALL ( 16292 calls) cegterg:over : 21.94s CPU 20.76s WALL ( 16008 calls) cegterg:upda : 9.72s CPU 9.34s WALL ( 16008 calls) cegterg:last : 5.07s CPU 5.06s WALL ( 1975 calls) cdiaghg:chol : 11.81s CPU 11.84s WALL ( 16292 calls) cdiaghg:inve : 4.80s CPU 4.64s WALL ( 16292 calls) cdiaghg:para : 40.95s CPU 40.33s WALL ( 32584 calls) Called by h_psi: h_psi:vloc : 404.48s CPU 337.60s WALL ( 17192 calls) h_psi:vnl : 20.03s CPU 17.45s WALL ( 17192 calls) add_vuspsi : 9.35s CPU 7.60s WALL ( 17192 calls) General routines calbec : 10.62s CPU 9.79s WALL ( 17192 calls) fft : 0.14s CPU 0.08s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 392.80s CPU 327.61s WALL ( 931544 calls) interpolate : 0.05s CPU 0.02s WALL ( 4 calls) davcio : 0.25s CPU 0.52s WALL ( 568 calls) Parallel routines fft_scatter : 331.92s CPU 289.17s WALL ( 931567 calls) PWSCF : 15m32.66s CPU 14m45.84s WALL This run was terminated on: 23:52: 5 20Mar2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=