Program PWSCF v.5.1.1 starts on 17Jul2015 at 20:16:57 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./PbS.save/ file Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 20 18 5 2854 2387 376 Max 21 19 6 2892 2418 400 Sum 997 881 261 137915 115147 18295 bravais-lattice index = 14 lattice parameter (alat) = 7.6945 a.u. unit-cell volume = 2645.6041 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 212.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.694500 celldm(2)= 1.000000 celldm(3)= 5.828584 celldm(4)= 0.059420 celldm(5)= 0.059420 celldm(6)= -0.010541 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.010541 0.999944 0.000000 ) a(3) = ( 0.346332 0.350002 5.807749 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.010542 -0.060268 ) b(2) = ( 0.000000 1.000056 -0.060268 ) b(3) = ( 0.000000 0.000000 0.172184 ) PseudoPot. # 1 for S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 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 Pb read from file: /home/autes/Pseudo/Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 75f9fe62f948a5acf869e43db2c29526 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 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 S 6.00 32.06500 S( 1.00) Pb 14.00 207.20000 Pb( 1.00) No symmetry 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 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 327 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 2) = ( 0.0089961 0.0090914 -0.0005479), wk = 0.0030581 k( 3) = ( 0.0179922 0.0181828 -0.0010958), wk = 0.0030581 k( 4) = ( 0.0269882 0.0272742 -0.0016437), wk = 0.0030581 k( 5) = ( 0.0359843 0.0363657 -0.0021916), wk = 0.0030581 k( 6) = ( 0.0449804 0.0454571 -0.0027395), wk = 0.0030581 k( 7) = ( 0.0539765 0.0545485 -0.0032873), wk = 0.0030581 k( 8) = ( 0.0629726 0.0636399 -0.0038352), wk = 0.0030581 k( 9) = ( 0.0719686 0.0727313 -0.0043831), wk = 0.0030581 k( 10) = ( 0.0809647 0.0818227 -0.0049310), wk = 0.0030581 k( 11) = ( 0.0899608 0.0909141 -0.0054789), wk = 0.0030581 k( 12) = ( 0.0989569 0.1000056 -0.0060268), wk = 0.0030581 k( 13) = ( 0.1079530 0.1090970 -0.0065747), wk = 0.0030581 k( 14) = ( 0.1169490 0.1181884 -0.0071226), wk = 0.0030581 k( 15) = ( 0.1259451 0.1272798 -0.0076705), wk = 0.0030581 k( 16) = ( 0.1349412 0.1363712 -0.0082184), wk = 0.0030581 k( 17) = ( 0.1439373 0.1454626 -0.0087663), wk = 0.0030581 k( 18) = ( 0.1529334 0.1545540 -0.0093141), wk = 0.0030581 k( 19) = ( 0.1619295 0.1636455 -0.0098620), wk = 0.0030581 k( 20) = ( 0.1709255 0.1727369 -0.0104099), wk = 0.0030581 k( 21) = ( 0.1799216 0.1818283 -0.0109578), wk = 0.0030581 k( 22) = ( 0.1889177 0.1909197 -0.0115057), wk = 0.0030581 k( 23) = ( 0.1979138 0.2000111 -0.0120536), wk = 0.0030581 k( 24) = ( 0.2069099 0.2091025 -0.0126015), wk = 0.0030581 k( 25) = ( 0.2159059 0.2181939 -0.0131494), wk = 0.0030581 k( 26) = ( 0.2249020 0.2272854 -0.0136973), wk = 0.0030581 k( 27) = ( 0.2338981 0.2363768 -0.0142452), wk = 0.0030581 k( 28) = ( 0.2428942 0.2454682 -0.0147931), wk = 0.0030581 k( 29) = ( 0.2518902 0.2545596 -0.0153410), wk = 0.0030581 k( 30) = ( 0.2608863 0.2636510 -0.0158888), wk = 0.0030581 k( 31) = ( 0.2698824 0.2727424 -0.0164367), wk = 0.0030581 k( 32) = ( 0.2788785 0.2818338 -0.0169846), wk = 0.0030581 k( 33) = ( 0.2878746 0.2909252 -0.0175325), wk = 0.0030581 k( 34) = ( 0.2968707 0.3000167 -0.0180804), wk = 0.0030581 k( 35) = ( 0.3058667 0.3091081 -0.0186283), wk = 0.0030581 k( 36) = ( 0.3148628 0.3181995 -0.0191762), wk = 0.0030581 k( 37) = ( 0.3238589 0.3272909 -0.0197241), wk = 0.0030581 k( 38) = ( 0.3328550 0.3363823 -0.0202720), wk = 0.0030581 k( 39) = ( 0.3418511 0.3454737 -0.0208199), wk = 0.0030581 k( 40) = ( 0.3508471 0.3545652 -0.0213678), wk = 0.0030581 k( 41) = ( 0.3598432 0.3636566 -0.0219156), wk = 0.0030581 k( 42) = ( 0.3688393 0.3727480 -0.0224635), wk = 0.0030581 k( 43) = ( 0.3778354 0.3818394 -0.0230114), wk = 0.0030581 k( 44) = ( 0.3868315 0.3909308 -0.0235593), wk = 0.0030581 k( 45) = ( 0.3958275 0.4000222 -0.0241072), wk = 0.0030581 k( 46) = ( 0.4048236 0.4091136 -0.0246551), wk = 0.0030581 k( 47) = ( 0.4138197 0.4182051 -0.0252030), wk = 0.0030581 k( 48) = ( 0.4228158 0.4272965 -0.0257509), wk = 0.0030581 k( 49) = ( 0.4318119 0.4363879 -0.0262988), wk = 0.0030581 k( 50) = ( 0.4408079 0.4454793 -0.0268467), wk = 0.0030581 k( 51) = ( 0.4498040 0.4545707 -0.0273946), wk = 0.0030581 k( 52) = ( 0.4588001 0.4636621 -0.0279424), wk = 0.0030581 k( 53) = ( 0.4677962 0.4727535 -0.0284903), wk = 0.0030581 k( 54) = ( 0.4767923 0.4818449 -0.0290382), wk = 0.0030581 k( 55) = ( 0.4857883 0.4909364 -0.0295861), wk = 0.0030581 k( 56) = ( 0.4947844 0.5000278 -0.0301340), wk = 0.0030581 k( 57) = ( 0.4947844 0.5000278 -0.0301340), wk = 0.0030581 k( 58) = ( 0.4954518 0.5007022 -0.0189424), wk = 0.0030581 k( 59) = ( 0.4961192 0.5013767 -0.0077509), wk = 0.0030581 k( 60) = ( 0.4967866 0.5020512 0.0034407), wk = 0.0030581 k( 61) = ( 0.4974540 0.5027256 0.0146323), wk = 0.0030581 k( 62) = ( 0.4981214 0.5034001 0.0258239), wk = 0.0030581 k( 63) = ( 0.4981214 0.5034001 0.0258239), wk = 0.0030581 k( 64) = ( 0.4967866 0.5020512 0.0378775), wk = 0.0030581 k( 65) = ( 0.4954518 0.5007022 0.0499311), wk = 0.0030581 k( 66) = ( 0.4941170 0.4993533 0.0619847), wk = 0.0030581 k( 67) = ( 0.4927823 0.4980044 0.0740383), wk = 0.0030581 k( 68) = ( 0.4914475 0.4966555 0.0860919), wk = 0.0030581 k( 69) = ( 0.4914475 0.4966555 0.0860919), wk = 0.0030581 k( 70) = ( 0.4823466 0.4874582 0.0860919), wk = 0.0030581 k( 71) = ( 0.4732458 0.4782609 0.0860919), wk = 0.0030581 k( 72) = ( 0.4641449 0.4690635 0.0860919), wk = 0.0030581 k( 73) = ( 0.4550440 0.4598662 0.0860919), wk = 0.0030581 k( 74) = ( 0.4459431 0.4506689 0.0860919), wk = 0.0030581 k( 75) = ( 0.4368422 0.4414716 0.0860919), wk = 0.0030581 k( 76) = ( 0.4277414 0.4322742 0.0860919), wk = 0.0030581 k( 77) = ( 0.4186405 0.4230769 0.0860919), wk = 0.0030581 k( 78) = ( 0.4095396 0.4138796 0.0860919), wk = 0.0030581 k( 79) = ( 0.4004387 0.4046823 0.0860919), wk = 0.0030581 k( 80) = ( 0.3913378 0.3954849 0.0860919), wk = 0.0030581 k( 81) = ( 0.3822370 0.3862876 0.0860919), wk = 0.0030581 k( 82) = ( 0.3731361 0.3770903 0.0860919), wk = 0.0030581 k( 83) = ( 0.3640352 0.3678930 0.0860919), wk = 0.0030581 k( 84) = ( 0.3549343 0.3586956 0.0860919), wk = 0.0030581 k( 85) = ( 0.3458334 0.3494983 0.0860919), wk = 0.0030581 k( 86) = ( 0.3367326 0.3403010 0.0860919), wk = 0.0030581 k( 87) = ( 0.3276317 0.3311037 0.0860919), wk = 0.0030581 k( 88) = ( 0.3185308 0.3219063 0.0860919), wk = 0.0030581 k( 89) = ( 0.3094299 0.3127090 0.0860919), wk = 0.0030581 k( 90) = ( 0.3003290 0.3035117 0.0860919), wk = 0.0030581 k( 91) = ( 0.2912282 0.2943144 0.0860919), wk = 0.0030581 k( 92) = ( 0.2821273 0.2851170 0.0860919), wk = 0.0030581 k( 93) = ( 0.2730264 0.2759197 0.0860919), wk = 0.0030581 k( 94) = ( 0.2639255 0.2667224 0.0860919), wk = 0.0030581 k( 95) = ( 0.2548246 0.2575251 0.0860919), wk = 0.0030581 k( 96) = ( 0.2457237 0.2483277 0.0860919), wk = 0.0030581 k( 97) = ( 0.2366229 0.2391304 0.0860919), wk = 0.0030581 k( 98) = ( 0.2275220 0.2299331 0.0860919), wk = 0.0030581 k( 99) = ( 0.2184211 0.2207358 0.0860919), wk = 0.0030581 k( 100) = ( 0.2093202 0.2115384 0.0860919), wk = 0.0030581 k( 101) = ( 0.2002193 0.2023411 0.0860919), wk = 0.0030581 k( 102) = ( 0.1911185 0.1931438 0.0860919), wk = 0.0030581 k( 103) = ( 0.1820176 0.1839465 0.0860919), wk = 0.0030581 k( 104) = ( 0.1729167 0.1747492 0.0860919), wk = 0.0030581 k( 105) = ( 0.1638158 0.1655518 0.0860919), wk = 0.0030581 k( 106) = ( 0.1547150 0.1563545 0.0860919), wk = 0.0030581 k( 107) = ( 0.1456141 0.1471572 0.0860919), wk = 0.0030581 k( 108) = ( 0.1365132 0.1379599 0.0860919), wk = 0.0030581 k( 109) = ( 0.1274123 0.1287625 0.0860919), wk = 0.0030581 k( 110) = ( 0.1183114 0.1195652 0.0860919), wk = 0.0030581 k( 111) = ( 0.1092106 0.1103679 0.0860919), wk = 0.0030581 k( 112) = ( 0.1001097 0.1011706 0.0860919), wk = 0.0030581 k( 113) = ( 0.0910088 0.0919732 0.0860919), wk = 0.0030581 k( 114) = ( 0.0819079 0.0827759 0.0860919), wk = 0.0030581 k( 115) = ( 0.0728070 0.0735786 0.0860919), wk = 0.0030581 k( 116) = ( 0.0637062 0.0643813 0.0860919), wk = 0.0030581 k( 117) = ( 0.0546053 0.0551839 0.0860919), wk = 0.0030581 k( 118) = ( 0.0455044 0.0459866 0.0860919), wk = 0.0030581 k( 119) = ( 0.0364035 0.0367893 0.0860919), wk = 0.0030581 k( 120) = ( 0.0273026 0.0275920 0.0860919), wk = 0.0030581 k( 121) = ( 0.0182018 0.0183946 0.0860919), wk = 0.0030581 k( 122) = ( 0.0091009 0.0091973 0.0860919), wk = 0.0030581 k( 123) = ( 0.0000000 0.0000000 0.0860919), wk = 0.0030581 k( 124) = ( 0.0000000 0.0000000 0.0860919), wk = 0.0030581 k( 125) = ( 0.0090909 -0.0089956 0.0860919), wk = 0.0030581 k( 126) = ( 0.0181818 -0.0179912 0.0860919), wk = 0.0030581 k( 127) = ( 0.0272727 -0.0269867 0.0860919), wk = 0.0030581 k( 128) = ( 0.0363636 -0.0359823 0.0860919), wk = 0.0030581 k( 129) = ( 0.0454546 -0.0449779 0.0860919), wk = 0.0030581 k( 130) = ( 0.0545455 -0.0539735 0.0860919), wk = 0.0030581 k( 131) = ( 0.0636364 -0.0629691 0.0860919), wk = 0.0030581 k( 132) = ( 0.0727273 -0.0719646 0.0860919), wk = 0.0030581 k( 133) = ( 0.0818182 -0.0809602 0.0860919), wk = 0.0030581 k( 134) = ( 0.0909091 -0.0899558 0.0860919), wk = 0.0030581 k( 135) = ( 0.1000000 -0.0989514 0.0860919), wk = 0.0030581 k( 136) = ( 0.1090909 -0.1079470 0.0860919), wk = 0.0030581 k( 137) = ( 0.1181818 -0.1169426 0.0860919), wk = 0.0030581 k( 138) = ( 0.1272727 -0.1259381 0.0860919), wk = 0.0030581 k( 139) = ( 0.1363636 -0.1349337 0.0860919), wk = 0.0030581 k( 140) = ( 0.1454545 -0.1439293 0.0860919), wk = 0.0030581 k( 141) = ( 0.1545455 -0.1529249 0.0860919), wk = 0.0030581 k( 142) = ( 0.1636364 -0.1619204 0.0860919), wk = 0.0030581 k( 143) = ( 0.1727273 -0.1709160 0.0860919), wk = 0.0030581 k( 144) = ( 0.1818182 -0.1799116 0.0860919), wk = 0.0030581 k( 145) = ( 0.1909091 -0.1889072 0.0860919), wk = 0.0030581 k( 146) = ( 0.2000000 -0.1979028 0.0860919), wk = 0.0030581 k( 147) = ( 0.2090909 -0.2068984 0.0860919), wk = 0.0030581 k( 148) = ( 0.2181818 -0.2158939 0.0860919), wk = 0.0030581 k( 149) = ( 0.2272727 -0.2248895 0.0860919), wk = 0.0030581 k( 150) = ( 0.2363636 -0.2338851 0.0860919), wk = 0.0030581 k( 151) = ( 0.2454545 -0.2428807 0.0860919), wk = 0.0030581 k( 152) = ( 0.2545455 -0.2518763 0.0860919), wk = 0.0030581 k( 153) = ( 0.2636364 -0.2608718 0.0860919), wk = 0.0030581 k( 154) = ( 0.2727273 -0.2698674 0.0860919), wk = 0.0030581 k( 155) = ( 0.2818182 -0.2788630 0.0860919), wk = 0.0030581 k( 156) = ( 0.2909091 -0.2878586 0.0860919), wk = 0.0030581 k( 157) = ( 0.3000000 -0.2968542 0.0860919), wk = 0.0030581 k( 158) = ( 0.3090909 -0.3058497 0.0860919), wk = 0.0030581 k( 159) = ( 0.3181818 -0.3148453 0.0860919), wk = 0.0030581 k( 160) = ( 0.3272727 -0.3238409 0.0860919), wk = 0.0030581 k( 161) = ( 0.3363636 -0.3328365 0.0860919), wk = 0.0030581 k( 162) = ( 0.3454546 -0.3418321 0.0860919), wk = 0.0030581 k( 163) = ( 0.3545454 -0.3508276 0.0860919), wk = 0.0030581 k( 164) = ( 0.3636364 -0.3598232 0.0860919), wk = 0.0030581 k( 165) = ( 0.3727273 -0.3688188 0.0860919), wk = 0.0030581 k( 166) = ( 0.3818182 -0.3778144 0.0860919), wk = 0.0030581 k( 167) = ( 0.3909091 -0.3868100 0.0860919), wk = 0.0030581 k( 168) = ( 0.4000000 -0.3958055 0.0860919), wk = 0.0030581 k( 169) = ( 0.4090909 -0.4048011 0.0860919), wk = 0.0030581 k( 170) = ( 0.4181818 -0.4137967 0.0860919), wk = 0.0030581 k( 171) = ( 0.4272727 -0.4227923 0.0860919), wk = 0.0030581 k( 172) = ( 0.4363636 -0.4317879 0.0860919), wk = 0.0030581 k( 173) = ( 0.4454546 -0.4407835 0.0860919), wk = 0.0030581 k( 174) = ( 0.4545455 -0.4497790 0.0860919), wk = 0.0030581 k( 175) = ( 0.4636364 -0.4587746 0.0860919), wk = 0.0030581 k( 176) = ( 0.4727273 -0.4677702 0.0860919), wk = 0.0030581 k( 177) = ( 0.4818182 -0.4767658 0.0860919), wk = 0.0030581 k( 178) = ( 0.4909091 -0.4857614 0.0860919), wk = 0.0030581 k( 179) = ( 0.5000000 -0.4947569 0.0860919), wk = 0.0030581 k( 180) = ( 0.5000000 -0.4947569 0.0860919), wk = 0.0030581 k( 181) = ( 0.5018786 -0.4928584 0.0860919), wk = 0.0030581 k( 182) = ( 0.5085525 -0.4861138 0.0258239), wk = 0.0030581 k( 183) = ( 0.5078851 -0.4867883 0.0146323), wk = 0.0030581 k( 184) = ( 0.5072177 -0.4874627 0.0034407), wk = 0.0030581 k( 185) = ( 0.5065503 -0.4881372 -0.0077509), wk = 0.0030581 k( 186) = ( 0.5058830 -0.4888116 -0.0189424), wk = 0.0030581 k( 187) = ( 0.5052156 -0.4894861 -0.0301340), wk = 0.0030581 k( 188) = ( 0.5052156 -0.4894861 -0.0301340), wk = 0.0030581 k( 189) = ( 0.5034770 -0.4912430 -0.0200893), wk = 0.0030581 k( 190) = ( 0.5017385 -0.4930000 -0.0100447), wk = 0.0030581 k( 191) = ( 0.5000000 -0.4947569 0.0000000), wk = 0.0030581 k( 192) = ( 0.5000000 -0.4947569 0.0000000), wk = 0.0030581 k( 193) = ( 0.4909091 -0.4857614 0.0000000), wk = 0.0030581 k( 194) = ( 0.4818182 -0.4767658 0.0000000), wk = 0.0030581 k( 195) = ( 0.4727273 -0.4677702 0.0000000), wk = 0.0030581 k( 196) = ( 0.4636364 -0.4587746 0.0000000), wk = 0.0030581 k( 197) = ( 0.4545455 -0.4497790 0.0000000), wk = 0.0030581 k( 198) = ( 0.4454546 -0.4407835 0.0000000), wk = 0.0030581 k( 199) = ( 0.4363636 -0.4317879 0.0000000), wk = 0.0030581 k( 200) = ( 0.4272727 -0.4227923 0.0000000), wk = 0.0030581 k( 201) = ( 0.4181818 -0.4137967 0.0000000), wk = 0.0030581 k( 202) = ( 0.4090909 -0.4048011 0.0000000), wk = 0.0030581 k( 203) = ( 0.4000000 -0.3958055 0.0000000), wk = 0.0030581 k( 204) = ( 0.3909091 -0.3868100 0.0000000), wk = 0.0030581 k( 205) = ( 0.3818182 -0.3778144 0.0000000), wk = 0.0030581 k( 206) = ( 0.3727273 -0.3688188 0.0000000), wk = 0.0030581 k( 207) = ( 0.3636364 -0.3598232 0.0000000), wk = 0.0030581 k( 208) = ( 0.3545454 -0.3508276 0.0000000), wk = 0.0030581 k( 209) = ( 0.3454546 -0.3418321 0.0000000), wk = 0.0030581 k( 210) = ( 0.3363636 -0.3328365 0.0000000), wk = 0.0030581 k( 211) = ( 0.3272727 -0.3238409 0.0000000), wk = 0.0030581 k( 212) = ( 0.3181818 -0.3148453 0.0000000), wk = 0.0030581 k( 213) = ( 0.3090909 -0.3058497 0.0000000), wk = 0.0030581 k( 214) = ( 0.3000000 -0.2968542 0.0000000), wk = 0.0030581 k( 215) = ( 0.2909091 -0.2878586 0.0000000), wk = 0.0030581 k( 216) = ( 0.2818182 -0.2788630 0.0000000), wk = 0.0030581 k( 217) = ( 0.2727273 -0.2698674 0.0000000), wk = 0.0030581 k( 218) = ( 0.2636364 -0.2608718 0.0000000), wk = 0.0030581 k( 219) = ( 0.2545455 -0.2518763 0.0000000), wk = 0.0030581 k( 220) = ( 0.2454545 -0.2428807 0.0000000), wk = 0.0030581 k( 221) = ( 0.2363636 -0.2338851 0.0000000), wk = 0.0030581 k( 222) = ( 0.2272727 -0.2248895 0.0000000), wk = 0.0030581 k( 223) = ( 0.2181818 -0.2158939 0.0000000), wk = 0.0030581 k( 224) = ( 0.2090909 -0.2068984 0.0000000), wk = 0.0030581 k( 225) = ( 0.2000000 -0.1979028 0.0000000), wk = 0.0030581 k( 226) = ( 0.1909091 -0.1889072 0.0000000), wk = 0.0030581 k( 227) = ( 0.1818182 -0.1799116 0.0000000), wk = 0.0030581 k( 228) = ( 0.1727273 -0.1709160 0.0000000), wk = 0.0030581 k( 229) = ( 0.1636364 -0.1619204 0.0000000), wk = 0.0030581 k( 230) = ( 0.1545455 -0.1529249 0.0000000), wk = 0.0030581 k( 231) = ( 0.1454545 -0.1439293 0.0000000), wk = 0.0030581 k( 232) = ( 0.1363636 -0.1349337 0.0000000), wk = 0.0030581 k( 233) = ( 0.1272727 -0.1259381 0.0000000), wk = 0.0030581 k( 234) = ( 0.1181818 -0.1169426 0.0000000), wk = 0.0030581 k( 235) = ( 0.1090909 -0.1079470 0.0000000), wk = 0.0030581 k( 236) = ( 0.1000000 -0.0989514 0.0000000), wk = 0.0030581 k( 237) = ( 0.0909091 -0.0899558 0.0000000), wk = 0.0030581 k( 238) = ( 0.0818182 -0.0809602 0.0000000), wk = 0.0030581 k( 239) = ( 0.0727273 -0.0719646 0.0000000), wk = 0.0030581 k( 240) = ( 0.0636364 -0.0629691 0.0000000), wk = 0.0030581 k( 241) = ( 0.0545455 -0.0539735 0.0000000), wk = 0.0030581 k( 242) = ( 0.0454546 -0.0449779 0.0000000), wk = 0.0030581 k( 243) = ( 0.0363636 -0.0359823 0.0000000), wk = 0.0030581 k( 244) = ( 0.0272727 -0.0269867 0.0000000), wk = 0.0030581 k( 245) = ( 0.0181818 -0.0179912 0.0000000), wk = 0.0030581 k( 246) = ( 0.0090909 -0.0089956 0.0000000), wk = 0.0030581 k( 247) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 248) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 249) = ( 0.0128205 0.0001351 -0.0007727), wk = 0.0030581 k( 250) = ( 0.0256410 0.0002703 -0.0015453), wk = 0.0030581 k( 251) = ( 0.0384615 0.0004054 -0.0023180), wk = 0.0030581 k( 252) = ( 0.0512821 0.0005406 -0.0030907), wk = 0.0030581 k( 253) = ( 0.0641026 0.0006757 -0.0038633), wk = 0.0030581 k( 254) = ( 0.0769231 0.0008109 -0.0046360), wk = 0.0030581 k( 255) = ( 0.0897436 0.0009460 -0.0054087), wk = 0.0030581 k( 256) = ( 0.1025641 0.0010812 -0.0061813), wk = 0.0030581 k( 257) = ( 0.1153846 0.0012163 -0.0069540), wk = 0.0030581 k( 258) = ( 0.1282051 0.0013515 -0.0077267), wk = 0.0030581 k( 259) = ( 0.1410256 0.0014866 -0.0084993), wk = 0.0030581 k( 260) = ( 0.1538461 0.0016218 -0.0092720), wk = 0.0030581 k( 261) = ( 0.1666667 0.0017569 -0.0100447), wk = 0.0030581 k( 262) = ( 0.1794872 0.0018921 -0.0108173), wk = 0.0030581 k( 263) = ( 0.1923077 0.0020272 -0.0115900), wk = 0.0030581 k( 264) = ( 0.2051282 0.0021624 -0.0123627), wk = 0.0030581 k( 265) = ( 0.2179487 0.0022975 -0.0131353), wk = 0.0030581 k( 266) = ( 0.2307692 0.0024327 -0.0139080), wk = 0.0030581 k( 267) = ( 0.2435897 0.0025678 -0.0146807), wk = 0.0030581 k( 268) = ( 0.2564103 0.0027030 -0.0154533), wk = 0.0030581 k( 269) = ( 0.2692308 0.0028381 -0.0162260), wk = 0.0030581 k( 270) = ( 0.2820513 0.0029733 -0.0169987), wk = 0.0030581 k( 271) = ( 0.2948718 0.0031084 -0.0177713), wk = 0.0030581 k( 272) = ( 0.3076923 0.0032436 -0.0185440), wk = 0.0030581 k( 273) = ( 0.3205128 0.0033787 -0.0193167), wk = 0.0030581 k( 274) = ( 0.3333333 0.0035139 -0.0200893), wk = 0.0030581 k( 275) = ( 0.3461538 0.0036490 -0.0208620), wk = 0.0030581 k( 276) = ( 0.3589744 0.0037842 -0.0216347), wk = 0.0030581 k( 277) = ( 0.3717949 0.0039193 -0.0224073), wk = 0.0030581 k( 278) = ( 0.3846154 0.0040545 -0.0231800), wk = 0.0030581 k( 279) = ( 0.3974359 0.0041896 -0.0239527), wk = 0.0030581 k( 280) = ( 0.4102564 0.0043248 -0.0247253), wk = 0.0030581 k( 281) = ( 0.4230769 0.0044599 -0.0254980), wk = 0.0030581 k( 282) = ( 0.4358974 0.0045951 -0.0262707), wk = 0.0030581 k( 283) = ( 0.4487179 0.0047302 -0.0270433), wk = 0.0030581 k( 284) = ( 0.4615385 0.0048654 -0.0278160), wk = 0.0030581 k( 285) = ( 0.4743590 0.0050005 -0.0285887), wk = 0.0030581 k( 286) = ( 0.4871795 0.0051357 -0.0293613), wk = 0.0030581 k( 287) = ( 0.5000000 0.0052708 -0.0301340), wk = 0.0030581 k( 288) = ( 0.5000000 0.0052708 0.0559579), wk = 0.0030581 k( 289) = ( 0.4871795 0.0051357 0.0545230), wk = 0.0030581 k( 290) = ( 0.4743590 0.0050005 0.0530882), wk = 0.0030581 k( 291) = ( 0.4615385 0.0048654 0.0516534), wk = 0.0030581 k( 292) = ( 0.4487179 0.0047302 0.0502186), wk = 0.0030581 k( 293) = ( 0.4358974 0.0045951 0.0487838), wk = 0.0030581 k( 294) = ( 0.4230769 0.0044599 0.0473490), wk = 0.0030581 k( 295) = ( 0.4102564 0.0043248 0.0459141), wk = 0.0030581 k( 296) = ( 0.3974359 0.0041896 0.0444793), wk = 0.0030581 k( 297) = ( 0.3846154 0.0040545 0.0430445), wk = 0.0030581 k( 298) = ( 0.3717949 0.0039193 0.0416097), wk = 0.0030581 k( 299) = ( 0.3589744 0.0037842 0.0401749), wk = 0.0030581 k( 300) = ( 0.3461538 0.0036490 0.0387401), wk = 0.0030581 k( 301) = ( 0.3333333 0.0035139 0.0373052), wk = 0.0030581 k( 302) = ( 0.3205128 0.0033787 0.0358704), wk = 0.0030581 k( 303) = ( 0.3076923 0.0032436 0.0344356), wk = 0.0030581 k( 304) = ( 0.2948718 0.0031084 0.0330008), wk = 0.0030581 k( 305) = ( 0.2820513 0.0029733 0.0315660), wk = 0.0030581 k( 306) = ( 0.2692308 0.0028381 0.0301312), wk = 0.0030581 k( 307) = ( 0.2564103 0.0027030 0.0286963), wk = 0.0030581 k( 308) = ( 0.2435897 0.0025678 0.0272615), wk = 0.0030581 k( 309) = ( 0.2307692 0.0024327 0.0258267), wk = 0.0030581 k( 310) = ( 0.2179487 0.0022975 0.0243919), wk = 0.0030581 k( 311) = ( 0.2051282 0.0021624 0.0229571), wk = 0.0030581 k( 312) = ( 0.1923077 0.0020272 0.0215223), wk = 0.0030581 k( 313) = ( 0.1794872 0.0018921 0.0200874), wk = 0.0030581 k( 314) = ( 0.1666667 0.0017569 0.0186526), wk = 0.0030581 k( 315) = ( 0.1538461 0.0016218 0.0172178), wk = 0.0030581 k( 316) = ( 0.1410256 0.0014866 0.0157830), wk = 0.0030581 k( 317) = ( 0.1282051 0.0013515 0.0143482), wk = 0.0030581 k( 318) = ( 0.1153846 0.0012163 0.0129134), wk = 0.0030581 k( 319) = ( 0.1025641 0.0010812 0.0114785), wk = 0.0030581 k( 320) = ( 0.0897436 0.0009460 0.0100437), wk = 0.0030581 k( 321) = ( 0.0769231 0.0008109 0.0086089), wk = 0.0030581 k( 322) = ( 0.0641026 0.0006757 0.0071741), wk = 0.0030581 k( 323) = ( 0.0512821 0.0005406 0.0057393), wk = 0.0030581 k( 324) = ( 0.0384615 0.0004054 0.0043045), wk = 0.0030581 k( 325) = ( 0.0256410 0.0002703 0.0028696), wk = 0.0030581 k( 326) = ( 0.0128205 0.0001351 0.0014348), wk = 0.0030581 k( 327) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 2) = ( 0.0089961 0.0089961 0.0031156), wk = 0.0030581 k( 3) = ( 0.0179922 0.0179922 0.0062313), wk = 0.0030581 k( 4) = ( 0.0269882 0.0269882 0.0093469), wk = 0.0030581 k( 5) = ( 0.0359843 0.0359843 0.0124625), wk = 0.0030581 k( 6) = ( 0.0449804 0.0449804 0.0155782), wk = 0.0030581 k( 7) = ( 0.0539765 0.0539765 0.0186938), wk = 0.0030581 k( 8) = ( 0.0629726 0.0629726 0.0218094), wk = 0.0030581 k( 9) = ( 0.0719686 0.0719686 0.0249250), wk = 0.0030581 k( 10) = ( 0.0809647 0.0809647 0.0280407), wk = 0.0030581 k( 11) = ( 0.0899608 0.0899608 0.0311563), wk = 0.0030581 k( 12) = ( 0.0989569 0.0989569 0.0342719), wk = 0.0030581 k( 13) = ( 0.1079530 0.1079530 0.0373876), wk = 0.0030581 k( 14) = ( 0.1169490 0.1169491 0.0405032), wk = 0.0030581 k( 15) = ( 0.1259451 0.1259451 0.0436188), wk = 0.0030581 k( 16) = ( 0.1349412 0.1349412 0.0467345), wk = 0.0030581 k( 17) = ( 0.1439373 0.1439373 0.0498501), wk = 0.0030581 k( 18) = ( 0.1529334 0.1529334 0.0529657), wk = 0.0030581 k( 19) = ( 0.1619295 0.1619295 0.0560813), wk = 0.0030581 k( 20) = ( 0.1709255 0.1709255 0.0591970), wk = 0.0030581 k( 21) = ( 0.1799216 0.1799216 0.0623126), wk = 0.0030581 k( 22) = ( 0.1889177 0.1889177 0.0654282), wk = 0.0030581 k( 23) = ( 0.1979138 0.1979138 0.0685439), wk = 0.0030581 k( 24) = ( 0.2069099 0.2069099 0.0716595), wk = 0.0030581 k( 25) = ( 0.2159059 0.2159059 0.0747751), wk = 0.0030581 k( 26) = ( 0.2249020 0.2249020 0.0778907), wk = 0.0030581 k( 27) = ( 0.2338981 0.2338981 0.0810064), wk = 0.0030581 k( 28) = ( 0.2428942 0.2428942 0.0841220), wk = 0.0030581 k( 29) = ( 0.2518902 0.2518903 0.0872376), wk = 0.0030581 k( 30) = ( 0.2608863 0.2608863 0.0903533), wk = 0.0030581 k( 31) = ( 0.2698824 0.2698824 0.0934689), wk = 0.0030581 k( 32) = ( 0.2788785 0.2788785 0.0965845), wk = 0.0030581 k( 33) = ( 0.2878746 0.2878746 0.0997002), wk = 0.0030581 k( 34) = ( 0.2968707 0.2968707 0.1028158), wk = 0.0030581 k( 35) = ( 0.3058667 0.3058667 0.1059314), wk = 0.0030581 k( 36) = ( 0.3148628 0.3148628 0.1090471), wk = 0.0030581 k( 37) = ( 0.3238589 0.3238589 0.1121627), wk = 0.0030581 k( 38) = ( 0.3328550 0.3328550 0.1152783), wk = 0.0030581 k( 39) = ( 0.3418511 0.3418511 0.1183939), wk = 0.0030581 k( 40) = ( 0.3508471 0.3508471 0.1215096), wk = 0.0030581 k( 41) = ( 0.3598432 0.3598432 0.1246252), wk = 0.0030581 k( 42) = ( 0.3688393 0.3688393 0.1277408), wk = 0.0030581 k( 43) = ( 0.3778354 0.3778354 0.1308565), wk = 0.0030581 k( 44) = ( 0.3868315 0.3868315 0.1339721), wk = 0.0030581 k( 45) = ( 0.3958275 0.3958275 0.1370877), wk = 0.0030581 k( 46) = ( 0.4048236 0.4048236 0.1402034), wk = 0.0030581 k( 47) = ( 0.4138197 0.4138197 0.1433190), wk = 0.0030581 k( 48) = ( 0.4228158 0.4228158 0.1464346), wk = 0.0030581 k( 49) = ( 0.4318119 0.4318119 0.1495502), wk = 0.0030581 k( 50) = ( 0.4408079 0.4408079 0.1526659), wk = 0.0030581 k( 51) = ( 0.4498040 0.4498040 0.1557815), wk = 0.0030581 k( 52) = ( 0.4588001 0.4588001 0.1588971), wk = 0.0030581 k( 53) = ( 0.4677962 0.4677962 0.1620128), wk = 0.0030581 k( 54) = ( 0.4767923 0.4767923 0.1651284), wk = 0.0030581 k( 55) = ( 0.4857883 0.4857884 0.1682440), wk = 0.0030581 k( 56) = ( 0.4947844 0.4947844 0.1713597), wk = 0.0030581 k( 57) = ( 0.4947844 0.4947844 0.1713597), wk = 0.0030581 k( 58) = ( 0.4954518 0.4954518 0.2368247), wk = 0.0030581 k( 59) = ( 0.4961192 0.4961192 0.3022897), wk = 0.0030581 k( 60) = ( 0.4967866 0.4967866 0.3677548), wk = 0.0030581 k( 61) = ( 0.4974540 0.4974540 0.4332198), wk = 0.0030581 k( 62) = ( 0.4981214 0.4981214 0.4986849), wk = 0.0030581 k( 63) = ( 0.4981214 0.4981214 0.4986849), wk = 0.0030581 k( 64) = ( 0.4967866 0.4967866 0.5677548), wk = 0.0030581 k( 65) = ( 0.4954518 0.4954518 0.6368247), wk = 0.0030581 k( 66) = ( 0.4941170 0.4941170 0.7058946), wk = 0.0030581 k( 67) = ( 0.4927823 0.4927823 0.7749645), wk = 0.0030581 k( 68) = ( 0.4914475 0.4914475 0.8440344), wk = 0.0030581 k( 69) = ( 0.4914475 0.4914475 0.8440344), wk = 0.0030581 k( 70) = ( 0.4823466 0.4823466 0.8376634), wk = 0.0030581 k( 71) = ( 0.4732458 0.4732458 0.8312924), wk = 0.0030581 k( 72) = ( 0.4641449 0.4641449 0.8249214), wk = 0.0030581 k( 73) = ( 0.4550440 0.4550440 0.8185504), wk = 0.0030581 k( 74) = ( 0.4459431 0.4459431 0.8121794), wk = 0.0030581 k( 75) = ( 0.4368422 0.4368422 0.8058084), wk = 0.0030581 k( 76) = ( 0.4277414 0.4277414 0.7994374), wk = 0.0030581 k( 77) = ( 0.4186405 0.4186405 0.7930664), wk = 0.0030581 k( 78) = ( 0.4095396 0.4095396 0.7866954), wk = 0.0030581 k( 79) = ( 0.4004387 0.4004387 0.7803244), wk = 0.0030581 k( 80) = ( 0.3913378 0.3913378 0.7739533), wk = 0.0030581 k( 81) = ( 0.3822370 0.3822370 0.7675823), wk = 0.0030581 k( 82) = ( 0.3731361 0.3731361 0.7612113), wk = 0.0030581 k( 83) = ( 0.3640352 0.3640352 0.7548403), wk = 0.0030581 k( 84) = ( 0.3549343 0.3549343 0.7484693), wk = 0.0030581 k( 85) = ( 0.3458334 0.3458334 0.7420983), wk = 0.0030581 k( 86) = ( 0.3367326 0.3367326 0.7357273), wk = 0.0030581 k( 87) = ( 0.3276317 0.3276317 0.7293563), wk = 0.0030581 k( 88) = ( 0.3185308 0.3185308 0.7229853), wk = 0.0030581 k( 89) = ( 0.3094299 0.3094299 0.7166143), wk = 0.0030581 k( 90) = ( 0.3003290 0.3003290 0.7102433), wk = 0.0030581 k( 91) = ( 0.2912282 0.2912282 0.7038723), wk = 0.0030581 k( 92) = ( 0.2821273 0.2821273 0.6975012), wk = 0.0030581 k( 93) = ( 0.2730264 0.2730264 0.6911302), wk = 0.0030581 k( 94) = ( 0.2639255 0.2639255 0.6847592), wk = 0.0030581 k( 95) = ( 0.2548246 0.2548246 0.6783882), wk = 0.0030581 k( 96) = ( 0.2457237 0.2457237 0.6720172), wk = 0.0030581 k( 97) = ( 0.2366229 0.2366229 0.6656462), wk = 0.0030581 k( 98) = ( 0.2275220 0.2275220 0.6592752), wk = 0.0030581 k( 99) = ( 0.2184211 0.2184211 0.6529042), wk = 0.0030581 k( 100) = ( 0.2093202 0.2093202 0.6465332), wk = 0.0030581 k( 101) = ( 0.2002193 0.2002194 0.6401622), wk = 0.0030581 k( 102) = ( 0.1911185 0.1911185 0.6337912), wk = 0.0030581 k( 103) = ( 0.1820176 0.1820176 0.6274202), wk = 0.0030581 k( 104) = ( 0.1729167 0.1729167 0.6210492), wk = 0.0030581 k( 105) = ( 0.1638158 0.1638158 0.6146782), wk = 0.0030581 k( 106) = ( 0.1547150 0.1547150 0.6083071), wk = 0.0030581 k( 107) = ( 0.1456141 0.1456141 0.6019361), wk = 0.0030581 k( 108) = ( 0.1365132 0.1365132 0.5955651), wk = 0.0030581 k( 109) = ( 0.1274123 0.1274123 0.5891941), wk = 0.0030581 k( 110) = ( 0.1183114 0.1183114 0.5828231), wk = 0.0030581 k( 111) = ( 0.1092106 0.1092106 0.5764521), wk = 0.0030581 k( 112) = ( 0.1001097 0.1001097 0.5700811), wk = 0.0030581 k( 113) = ( 0.0910088 0.0910088 0.5637101), wk = 0.0030581 k( 114) = ( 0.0819079 0.0819079 0.5573391), wk = 0.0030581 k( 115) = ( 0.0728070 0.0728070 0.5509681), wk = 0.0030581 k( 116) = ( 0.0637062 0.0637062 0.5445971), wk = 0.0030581 k( 117) = ( 0.0546053 0.0546053 0.5382261), wk = 0.0030581 k( 118) = ( 0.0455044 0.0455044 0.5318550), wk = 0.0030581 k( 119) = ( 0.0364035 0.0364035 0.5254840), wk = 0.0030581 k( 120) = ( 0.0273026 0.0273026 0.5191130), wk = 0.0030581 k( 121) = ( 0.0182018 0.0182018 0.5127420), wk = 0.0030581 k( 122) = ( 0.0091009 0.0091009 0.5063710), wk = 0.0030581 k( 123) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030581 k( 124) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030581 k( 125) = ( 0.0090909 -0.0090909 0.5000000), wk = 0.0030581 k( 126) = ( 0.0181818 -0.0181818 0.5000000), wk = 0.0030581 k( 127) = ( 0.0272727 -0.0272727 0.5000000), wk = 0.0030581 k( 128) = ( 0.0363636 -0.0363636 0.5000000), wk = 0.0030581 k( 129) = ( 0.0454546 -0.0454546 0.5000000), wk = 0.0030581 k( 130) = ( 0.0545455 -0.0545455 0.5000000), wk = 0.0030581 k( 131) = ( 0.0636364 -0.0636364 0.5000000), wk = 0.0030581 k( 132) = ( 0.0727273 -0.0727273 0.5000000), wk = 0.0030581 k( 133) = ( 0.0818182 -0.0818182 0.5000000), wk = 0.0030581 k( 134) = ( 0.0909091 -0.0909091 0.5000000), wk = 0.0030581 k( 135) = ( 0.1000000 -0.1000000 0.5000000), wk = 0.0030581 k( 136) = ( 0.1090909 -0.1090909 0.5000000), wk = 0.0030581 k( 137) = ( 0.1181818 -0.1181818 0.5000000), wk = 0.0030581 k( 138) = ( 0.1272727 -0.1272727 0.5000000), wk = 0.0030581 k( 139) = ( 0.1363636 -0.1363636 0.5000000), wk = 0.0030581 k( 140) = ( 0.1454545 -0.1454546 0.5000000), wk = 0.0030581 k( 141) = ( 0.1545455 -0.1545455 0.5000000), wk = 0.0030581 k( 142) = ( 0.1636364 -0.1636364 0.5000000), wk = 0.0030581 k( 143) = ( 0.1727273 -0.1727273 0.5000000), wk = 0.0030581 k( 144) = ( 0.1818182 -0.1818182 0.5000000), wk = 0.0030581 k( 145) = ( 0.1909091 -0.1909091 0.5000000), wk = 0.0030581 k( 146) = ( 0.2000000 -0.2000000 0.5000000), wk = 0.0030581 k( 147) = ( 0.2090909 -0.2090909 0.5000000), wk = 0.0030581 k( 148) = ( 0.2181818 -0.2181818 0.5000000), wk = 0.0030581 k( 149) = ( 0.2272727 -0.2272727 0.5000000), wk = 0.0030581 k( 150) = ( 0.2363636 -0.2363636 0.5000000), wk = 0.0030581 k( 151) = ( 0.2454545 -0.2454546 0.5000000), wk = 0.0030581 k( 152) = ( 0.2545455 -0.2545455 0.5000000), wk = 0.0030581 k( 153) = ( 0.2636364 -0.2636364 0.5000000), wk = 0.0030581 k( 154) = ( 0.2727273 -0.2727273 0.5000000), wk = 0.0030581 k( 155) = ( 0.2818182 -0.2818182 0.5000000), wk = 0.0030581 k( 156) = ( 0.2909091 -0.2909091 0.5000000), wk = 0.0030581 k( 157) = ( 0.3000000 -0.3000000 0.5000000), wk = 0.0030581 k( 158) = ( 0.3090909 -0.3090909 0.5000000), wk = 0.0030581 k( 159) = ( 0.3181818 -0.3181818 0.5000000), wk = 0.0030581 k( 160) = ( 0.3272727 -0.3272727 0.5000000), wk = 0.0030581 k( 161) = ( 0.3363636 -0.3363636 0.5000000), wk = 0.0030581 k( 162) = ( 0.3454546 -0.3454546 0.5000000), wk = 0.0030581 k( 163) = ( 0.3545454 -0.3545455 0.5000000), wk = 0.0030581 k( 164) = ( 0.3636364 -0.3636364 0.5000000), wk = 0.0030581 k( 165) = ( 0.3727273 -0.3727273 0.5000000), wk = 0.0030581 k( 166) = ( 0.3818182 -0.3818182 0.5000000), wk = 0.0030581 k( 167) = ( 0.3909091 -0.3909091 0.5000000), wk = 0.0030581 k( 168) = ( 0.4000000 -0.4000000 0.5000000), wk = 0.0030581 k( 169) = ( 0.4090909 -0.4090909 0.5000000), wk = 0.0030581 k( 170) = ( 0.4181818 -0.4181818 0.5000000), wk = 0.0030581 k( 171) = ( 0.4272727 -0.4272727 0.5000000), wk = 0.0030581 k( 172) = ( 0.4363636 -0.4363636 0.5000000), wk = 0.0030581 k( 173) = ( 0.4454546 -0.4454546 0.5000000), wk = 0.0030581 k( 174) = ( 0.4545455 -0.4545455 0.5000000), wk = 0.0030581 k( 175) = ( 0.4636364 -0.4636364 0.5000000), wk = 0.0030581 k( 176) = ( 0.4727273 -0.4727273 0.5000000), wk = 0.0030581 k( 177) = ( 0.4818182 -0.4818182 0.5000000), wk = 0.0030581 k( 178) = ( 0.4909091 -0.4909091 0.5000000), wk = 0.0030581 k( 179) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0030581 k( 180) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0030581 k( 181) = ( 0.5018786 -0.4981214 0.5013151), wk = 0.0030581 k( 182) = ( 0.5085525 -0.4914475 0.1559656), wk = 0.0030581 k( 183) = ( 0.5078851 -0.4921149 0.0905005), wk = 0.0030581 k( 184) = ( 0.5072177 -0.4927823 0.0250355), wk = 0.0030581 k( 185) = ( 0.5065503 -0.4934497 -0.0404296), wk = 0.0030581 k( 186) = ( 0.5058830 -0.4941170 -0.1058946), wk = 0.0030581 k( 187) = ( 0.5052156 -0.4947844 -0.1713597), wk = 0.0030581 k( 188) = ( 0.5052156 -0.4947844 -0.1713597), wk = 0.0030581 k( 189) = ( 0.5034770 -0.4965230 -0.1142398), wk = 0.0030581 k( 190) = ( 0.5017385 -0.4982615 -0.0571199), wk = 0.0030581 k( 191) = ( 0.5000000 -0.5000000 0.0000000), wk = 0.0030581 k( 192) = ( 0.5000000 -0.5000000 0.0000000), wk = 0.0030581 k( 193) = ( 0.4909091 -0.4909091 0.0000000), wk = 0.0030581 k( 194) = ( 0.4818182 -0.4818182 -0.0000000), wk = 0.0030581 k( 195) = ( 0.4727273 -0.4727273 -0.0000000), wk = 0.0030581 k( 196) = ( 0.4636364 -0.4636364 0.0000000), wk = 0.0030581 k( 197) = ( 0.4545455 -0.4545455 -0.0000000), wk = 0.0030581 k( 198) = ( 0.4454546 -0.4454546 -0.0000000), wk = 0.0030581 k( 199) = ( 0.4363636 -0.4363636 0.0000000), wk = 0.0030581 k( 200) = ( 0.4272727 -0.4272727 -0.0000000), wk = 0.0030581 k( 201) = ( 0.4181818 -0.4181818 -0.0000000), wk = 0.0030581 k( 202) = ( 0.4090909 -0.4090909 -0.0000000), wk = 0.0030581 k( 203) = ( 0.4000000 -0.4000000 0.0000000), wk = 0.0030581 k( 204) = ( 0.3909091 -0.3909091 0.0000000), wk = 0.0030581 k( 205) = ( 0.3818182 -0.3818182 0.0000000), wk = 0.0030581 k( 206) = ( 0.3727273 -0.3727273 -0.0000000), wk = 0.0030581 k( 207) = ( 0.3636364 -0.3636364 0.0000000), wk = 0.0030581 k( 208) = ( 0.3545454 -0.3545455 -0.0000000), wk = 0.0030581 k( 209) = ( 0.3454546 -0.3454546 -0.0000000), wk = 0.0030581 k( 210) = ( 0.3363636 -0.3363636 -0.0000000), wk = 0.0030581 k( 211) = ( 0.3272727 -0.3272727 -0.0000000), wk = 0.0030581 k( 212) = ( 0.3181818 -0.3181818 -0.0000000), wk = 0.0030581 k( 213) = ( 0.3090909 -0.3090909 -0.0000000), wk = 0.0030581 k( 214) = ( 0.3000000 -0.3000000 0.0000000), wk = 0.0030581 k( 215) = ( 0.2909091 -0.2909091 -0.0000000), wk = 0.0030581 k( 216) = ( 0.2818182 -0.2818182 -0.0000000), wk = 0.0030581 k( 217) = ( 0.2727273 -0.2727273 0.0000000), wk = 0.0030581 k( 218) = ( 0.2636364 -0.2636364 -0.0000000), wk = 0.0030581 k( 219) = ( 0.2545455 -0.2545455 -0.0000000), wk = 0.0030581 k( 220) = ( 0.2454545 -0.2454546 0.0000000), wk = 0.0030581 k( 221) = ( 0.2363636 -0.2363636 0.0000000), wk = 0.0030581 k( 222) = ( 0.2272727 -0.2272727 0.0000000), wk = 0.0030581 k( 223) = ( 0.2181818 -0.2181818 0.0000000), wk = 0.0030581 k( 224) = ( 0.2090909 -0.2090909 -0.0000000), wk = 0.0030581 k( 225) = ( 0.2000000 -0.2000000 0.0000000), wk = 0.0030581 k( 226) = ( 0.1909091 -0.1909091 0.0000000), wk = 0.0030581 k( 227) = ( 0.1818182 -0.1818182 0.0000000), wk = 0.0030581 k( 228) = ( 0.1727273 -0.1727273 -0.0000000), wk = 0.0030581 k( 229) = ( 0.1636364 -0.1636364 -0.0000000), wk = 0.0030581 k( 230) = ( 0.1545455 -0.1545455 -0.0000000), wk = 0.0030581 k( 231) = ( 0.1454545 -0.1454546 -0.0000000), wk = 0.0030581 k( 232) = ( 0.1363636 -0.1363636 0.0000000), wk = 0.0030581 k( 233) = ( 0.1272727 -0.1272727 0.0000000), wk = 0.0030581 k( 234) = ( 0.1181818 -0.1181818 0.0000000), wk = 0.0030581 k( 235) = ( 0.1090909 -0.1090909 0.0000000), wk = 0.0030581 k( 236) = ( 0.1000000 -0.1000000 0.0000000), wk = 0.0030581 k( 237) = ( 0.0909091 -0.0909091 0.0000000), wk = 0.0030581 k( 238) = ( 0.0818182 -0.0818182 -0.0000000), wk = 0.0030581 k( 239) = ( 0.0727273 -0.0727273 -0.0000000), wk = 0.0030581 k( 240) = ( 0.0636364 -0.0636364 0.0000000), wk = 0.0030581 k( 241) = ( 0.0545455 -0.0545455 -0.0000000), wk = 0.0030581 k( 242) = ( 0.0454546 -0.0454546 -0.0000000), wk = 0.0030581 k( 243) = ( 0.0363636 -0.0363636 -0.0000000), wk = 0.0030581 k( 244) = ( 0.0272727 -0.0272727 0.0000000), wk = 0.0030581 k( 245) = ( 0.0181818 -0.0181818 -0.0000000), wk = 0.0030581 k( 246) = ( 0.0090909 -0.0090909 -0.0000000), wk = 0.0030581 k( 247) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 248) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 249) = ( 0.0128205 0.0000000 0.0000000), wk = 0.0030581 k( 250) = ( 0.0256410 0.0000000 0.0000000), wk = 0.0030581 k( 251) = ( 0.0384615 0.0000000 0.0000000), wk = 0.0030581 k( 252) = ( 0.0512821 0.0000000 0.0000000), wk = 0.0030581 k( 253) = ( 0.0641026 0.0000000 0.0000000), wk = 0.0030581 k( 254) = ( 0.0769231 0.0000000 0.0000000), wk = 0.0030581 k( 255) = ( 0.0897436 0.0000000 0.0000000), wk = 0.0030581 k( 256) = ( 0.1025641 0.0000000 0.0000000), wk = 0.0030581 k( 257) = ( 0.1153846 0.0000000 0.0000000), wk = 0.0030581 k( 258) = ( 0.1282051 0.0000000 0.0000000), wk = 0.0030581 k( 259) = ( 0.1410256 0.0000000 0.0000000), wk = 0.0030581 k( 260) = ( 0.1538461 0.0000000 0.0000000), wk = 0.0030581 k( 261) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0030581 k( 262) = ( 0.1794872 0.0000000 0.0000000), wk = 0.0030581 k( 263) = ( 0.1923077 0.0000000 0.0000000), wk = 0.0030581 k( 264) = ( 0.2051282 0.0000000 0.0000000), wk = 0.0030581 k( 265) = ( 0.2179487 0.0000000 0.0000000), wk = 0.0030581 k( 266) = ( 0.2307692 -0.0000000 0.0000000), wk = 0.0030581 k( 267) = ( 0.2435897 0.0000000 0.0000000), wk = 0.0030581 k( 268) = ( 0.2564103 0.0000000 0.0000000), wk = 0.0030581 k( 269) = ( 0.2692308 0.0000000 0.0000000), wk = 0.0030581 k( 270) = ( 0.2820513 0.0000000 0.0000000), wk = 0.0030581 k( 271) = ( 0.2948718 0.0000000 0.0000000), wk = 0.0030581 k( 272) = ( 0.3076923 0.0000000 0.0000000), wk = 0.0030581 k( 273) = ( 0.3205128 0.0000000 0.0000000), wk = 0.0030581 k( 274) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0030581 k( 275) = ( 0.3461538 0.0000000 0.0000000), wk = 0.0030581 k( 276) = ( 0.3589744 0.0000000 0.0000000), wk = 0.0030581 k( 277) = ( 0.3717949 0.0000000 0.0000000), wk = 0.0030581 k( 278) = ( 0.3846154 0.0000000 0.0000000), wk = 0.0030581 k( 279) = ( 0.3974359 0.0000000 0.0000000), wk = 0.0030581 k( 280) = ( 0.4102564 0.0000000 0.0000000), wk = 0.0030581 k( 281) = ( 0.4230769 0.0000000 -0.0000000), wk = 0.0030581 k( 282) = ( 0.4358974 0.0000000 0.0000000), wk = 0.0030581 k( 283) = ( 0.4487179 0.0000000 -0.0000000), wk = 0.0030581 k( 284) = ( 0.4615385 -0.0000000 0.0000000), wk = 0.0030581 k( 285) = ( 0.4743590 0.0000000 0.0000000), wk = 0.0030581 k( 286) = ( 0.4871795 0.0000000 0.0000000), wk = 0.0030581 k( 287) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030581 k( 288) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030581 k( 289) = ( 0.4871795 0.0000000 0.4871795), wk = 0.0030581 k( 290) = ( 0.4743590 0.0000000 0.4743590), wk = 0.0030581 k( 291) = ( 0.4615385 -0.0000000 0.4615385), wk = 0.0030581 k( 292) = ( 0.4487179 0.0000000 0.4487179), wk = 0.0030581 k( 293) = ( 0.4358974 0.0000000 0.4358974), wk = 0.0030581 k( 294) = ( 0.4230769 0.0000000 0.4230769), wk = 0.0030581 k( 295) = ( 0.4102564 0.0000000 0.4102564), wk = 0.0030581 k( 296) = ( 0.3974359 0.0000000 0.3974359), wk = 0.0030581 k( 297) = ( 0.3846154 0.0000000 0.3846154), wk = 0.0030581 k( 298) = ( 0.3717949 0.0000000 0.3717949), wk = 0.0030581 k( 299) = ( 0.3589744 0.0000000 0.3589744), wk = 0.0030581 k( 300) = ( 0.3461538 0.0000000 0.3461538), wk = 0.0030581 k( 301) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0030581 k( 302) = ( 0.3205128 0.0000000 0.3205128), wk = 0.0030581 k( 303) = ( 0.3076923 0.0000000 0.3076923), wk = 0.0030581 k( 304) = ( 0.2948718 0.0000000 0.2948718), wk = 0.0030581 k( 305) = ( 0.2820513 0.0000000 0.2820513), wk = 0.0030581 k( 306) = ( 0.2692308 0.0000000 0.2692308), wk = 0.0030581 k( 307) = ( 0.2564103 0.0000000 0.2564103), wk = 0.0030581 k( 308) = ( 0.2435897 0.0000000 0.2435897), wk = 0.0030581 k( 309) = ( 0.2307692 -0.0000000 0.2307692), wk = 0.0030581 k( 310) = ( 0.2179487 0.0000000 0.2179487), wk = 0.0030581 k( 311) = ( 0.2051282 0.0000000 0.2051282), wk = 0.0030581 k( 312) = ( 0.1923077 0.0000000 0.1923077), wk = 0.0030581 k( 313) = ( 0.1794872 0.0000000 0.1794872), wk = 0.0030581 k( 314) = ( 0.1666667 0.0000000 0.1666667), wk = 0.0030581 k( 315) = ( 0.1538461 0.0000000 0.1538461), wk = 0.0030581 k( 316) = ( 0.1410256 0.0000000 0.1410256), wk = 0.0030581 k( 317) = ( 0.1282051 0.0000000 0.1282051), wk = 0.0030581 k( 318) = ( 0.1153846 0.0000000 0.1153846), wk = 0.0030581 k( 319) = ( 0.1025641 0.0000000 0.1025641), wk = 0.0030581 k( 320) = ( 0.0897436 0.0000000 0.0897436), wk = 0.0030581 k( 321) = ( 0.0769231 0.0000000 0.0769231), wk = 0.0030581 k( 322) = ( 0.0641026 0.0000000 0.0641026), wk = 0.0030581 k( 323) = ( 0.0512821 0.0000000 0.0512821), wk = 0.0030581 k( 324) = ( 0.0384615 0.0000000 0.0384615), wk = 0.0030581 k( 325) = ( 0.0256410 0.0000000 0.0256410), wk = 0.0030581 k( 326) = ( 0.0128205 0.0000000 0.0128205), wk = 0.0030581 k( 327) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 Dense grid: 137915 G-vectors FFT dimensions: ( 36, 36, 216) Smooth grid: 115147 G-vectors FFT dimensions: ( 36, 36, 200) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.47 Mb ( 646, 48) NL pseudopotentials 0.67 Mb ( 323, 136) Each V/rho on FFT grid 0.10 Mb ( 6480) Each G-vector array 0.02 Mb ( 2877) G-vector shells 0.02 Mb ( 2774) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.89 Mb ( 646, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.20 Mb ( 136, 2, 48) The potential is recalculated from file : ./PbS.save/charge-density.dat negative rho (up, down): 1.734E-04 0.000E+00 Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 43.3 secs Computing kpt #: 2 total cpu time spent up to now is 46.5 secs Computing kpt #: 3 total cpu time spent up to now is 49.7 secs Computing kpt #: 4 total cpu time spent up to now is 53.0 secs Computing kpt #: 5 total cpu time spent up to now is 56.2 secs Computing kpt #: 6 total cpu time spent up to now is 59.3 secs Computing kpt #: 7 total cpu time spent up to now is 62.5 secs Computing kpt #: 8 total cpu time spent up to now is 66.1 secs Computing kpt #: 9 total cpu time spent up to now is 69.8 secs Computing kpt #: 10 total cpu time spent up to now is 73.5 secs Computing kpt #: 11 total cpu time spent up to now is 77.3 secs Computing kpt #: 12 total cpu time spent up to now is 80.9 secs Computing kpt #: 13 total cpu time spent up to now is 84.4 secs Computing kpt #: 14 total cpu time spent up to now is 88.0 secs Computing kpt #: 15 total cpu time spent up to now is 91.5 secs Computing kpt #: 16 total cpu time spent up to now is 94.9 secs Computing kpt #: 17 total cpu time spent up to now is 98.0 secs Computing kpt #: 18 total cpu time spent up to now is 101.0 secs Computing kpt #: 19 total cpu time spent up to now is 103.8 secs Computing kpt #: 20 total cpu time spent up to now is 106.5 secs Computing kpt #: 21 total cpu time spent up to now is 109.4 secs Computing kpt #: 22 total cpu time spent up to now is 112.1 secs Computing kpt #: 23 total cpu time spent up to now is 114.9 secs Computing kpt #: 24 total cpu time spent up to now is 117.7 secs Computing kpt #: 25 total cpu time spent up to now is 120.6 secs Computing kpt #: 26 total cpu time spent up to now is 123.5 secs Computing kpt #: 27 total cpu time spent up to now is 126.6 secs Computing kpt #: 28 total cpu time spent up to now is 129.3 secs Computing kpt #: 29 total cpu time spent up to now is 132.1 secs Computing kpt #: 30 total cpu time spent up to now is 134.9 secs Computing kpt #: 31 total cpu time spent up to now is 137.6 secs Computing kpt #: 32 total cpu time spent up to now is 140.4 secs Computing kpt #: 33 total cpu time spent up to now is 143.3 secs Computing kpt #: 34 total cpu time spent up to now is 146.1 secs Computing kpt #: 35 total cpu time spent up to now is 148.9 secs Computing kpt #: 36 total cpu time spent up to now is 151.9 secs Computing kpt #: 37 total cpu time spent up to now is 154.7 secs Computing kpt #: 38 total cpu time spent up to now is 157.6 secs Computing kpt #: 39 total cpu time spent up to now is 160.5 secs Computing kpt #: 40 total cpu time spent up to now is 164.5 secs Computing kpt #: 41 total cpu time spent up to now is 168.5 secs Computing kpt #: 42 total cpu time spent up to now is 172.2 secs Computing kpt #: 43 total cpu time spent up to now is 175.6 secs Computing kpt #: 44 total cpu time spent up to now is 179.1 secs Computing kpt #: 45 total cpu time spent up to now is 182.5 secs Computing kpt #: 46 total cpu time spent up to now is 185.6 secs Computing kpt #: 47 total cpu time spent up to now is 188.7 secs Computing kpt #: 48 total cpu time spent up to now is 191.7 secs Computing kpt #: 49 total cpu time spent up to now is 194.7 secs Computing kpt #: 50 total cpu time spent up to now is 197.8 secs Computing kpt #: 51 total cpu time spent up to now is 200.6 secs Computing kpt #: 52 total cpu time spent up to now is 203.7 secs Computing kpt #: 53 total cpu time spent up to now is 206.7 secs Computing kpt #: 54 total cpu time spent up to now is 209.5 secs Computing kpt #: 55 total cpu time spent up to now is 212.4 secs Computing kpt #: 56 total cpu time spent up to now is 215.3 secs Computing kpt #: 57 total cpu time spent up to now is 218.2 secs Computing kpt #: 58 total cpu time spent up to now is 221.2 secs Computing kpt #: 59 total cpu time spent up to now is 224.1 secs Computing kpt #: 60 total cpu time spent up to now is 226.9 secs Computing kpt #: 61 total cpu time spent up to now is 229.7 secs Computing kpt #: 62 total cpu time spent up to now is 232.6 secs Computing kpt #: 63 total cpu time spent up to now is 235.5 secs Computing kpt #: 64 total cpu time spent up to now is 238.3 secs Computing kpt #: 65 total cpu time spent up to now is 241.2 secs Computing kpt #: 66 total cpu time spent up to now is 244.1 secs Computing kpt #: 67 total cpu time spent up to now is 246.9 secs Computing kpt #: 68 total cpu time spent up to now is 249.7 secs Computing kpt #: 69 total cpu time spent up to now is 252.6 secs Computing kpt #: 70 total cpu time spent up to now is 255.4 secs Computing kpt #: 71 total cpu time spent up to now is 258.4 secs Computing kpt #: 72 total cpu time spent up to now is 261.2 secs Computing kpt #: 73 total cpu time spent up to now is 264.2 secs Computing kpt #: 74 total cpu time spent up to now is 267.3 secs Computing kpt #: 75 total cpu time spent up to now is 270.3 secs Computing kpt #: 76 total cpu time spent up to now is 273.3 secs Computing kpt #: 77 total cpu time spent up to now is 276.6 secs Computing kpt #: 78 total cpu time spent up to now is 279.7 secs Computing kpt #: 79 total cpu time spent up to now is 283.0 secs Computing kpt #: 80 total cpu time spent up to now is 286.3 secs Computing kpt #: 81 total cpu time spent up to now is 289.8 secs Computing kpt #: 82 total cpu time spent up to now is 293.3 secs Computing kpt #: 83 total cpu time spent up to now is 297.0 secs Computing kpt #: 84 total cpu time spent up to now is 301.0 secs Computing kpt #: 85 total cpu time spent up to now is 303.8 secs Computing kpt #: 86 total cpu time spent up to now is 307.3 secs Computing kpt #: 87 total cpu time spent up to now is 310.5 secs Computing kpt #: 88 total cpu time spent up to now is 313.6 secs Computing kpt #: 89 total cpu time spent up to now is 316.8 secs Computing kpt #: 90 total cpu time spent up to now is 319.7 secs Computing kpt #: 91 total cpu time spent up to now is 322.4 secs Computing kpt #: 92 total cpu time spent up to now is 325.3 secs Computing kpt #: 93 total cpu time spent up to now is 328.0 secs Computing kpt #: 94 total cpu time spent up to now is 330.8 secs Computing kpt #: 95 total cpu time spent up to now is 333.5 secs Computing kpt #: 96 total cpu time spent up to now is 336.3 secs Computing kpt #: 97 total cpu time spent up to now is 339.0 secs Computing kpt #: 98 total cpu time spent up to now is 342.0 secs Computing kpt #: 99 total cpu time spent up to now is 344.8 secs Computing kpt #: 100 total cpu time spent up to now is 347.5 secs Computing kpt #: 101 total cpu time spent up to now is 350.2 secs Computing kpt #: 102 total cpu time spent up to now is 352.9 secs Computing kpt #: 103 total cpu time spent up to now is 355.7 secs Computing kpt #: 104 total cpu time spent up to now is 358.4 secs Computing kpt #: 105 total cpu time spent up to now is 361.2 secs Computing kpt #: 106 total cpu time spent up to now is 364.0 secs Computing kpt #: 107 total cpu time spent up to now is 367.1 secs Computing kpt #: 108 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 372.6 secs Computing kpt #: 109 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 378.4 secs Computing kpt #: 110 total cpu time spent up to now is 382.0 secs Computing kpt #: 111 total cpu time spent up to now is 385.5 secs Computing kpt #: 112 total cpu time spent up to now is 388.9 secs Computing kpt #: 113 total cpu time spent up to now is 392.5 secs Computing kpt #: 114 total cpu time spent up to now is 396.0 secs Computing kpt #: 115 total cpu time spent up to now is 399.6 secs Computing kpt #: 116 total cpu time spent up to now is 403.2 secs Computing kpt #: 117 total cpu time spent up to now is 406.7 secs Computing kpt #: 118 total cpu time spent up to now is 410.5 secs Computing kpt #: 119 total cpu time spent up to now is 414.3 secs Computing kpt #: 120 total cpu time spent up to now is 418.6 secs Computing kpt #: 121 total cpu time spent up to now is 422.5 secs Computing kpt #: 122 total cpu time spent up to now is 426.9 secs Computing kpt #: 123 total cpu time spent up to now is 431.3 secs Computing kpt #: 124 total cpu time spent up to now is 435.4 secs Computing kpt #: 125 total cpu time spent up to now is 440.5 secs Computing kpt #: 126 total cpu time spent up to now is 444.9 secs Computing kpt #: 127 total cpu time spent up to now is 449.2 secs Computing kpt #: 128 total cpu time spent up to now is 453.1 secs Computing kpt #: 129 total cpu time spent up to now is 456.9 secs Computing kpt #: 130 total cpu time spent up to now is 460.6 secs Computing kpt #: 131 total cpu time spent up to now is 464.3 secs Computing kpt #: 132 total cpu time spent up to now is 467.5 secs Computing kpt #: 133 total cpu time spent up to now is 471.1 secs Computing kpt #: 134 total cpu time spent up to now is 474.7 secs Computing kpt #: 135 total cpu time spent up to now is 478.5 secs Computing kpt #: 136 total cpu time spent up to now is 482.0 secs Computing kpt #: 137 total cpu time spent up to now is 485.5 secs Computing kpt #: 138 total cpu time spent up to now is 489.4 secs Computing kpt #: 139 total cpu time spent up to now is 492.9 secs Computing kpt #: 140 total cpu time spent up to now is 495.8 secs Computing kpt #: 141 total cpu time spent up to now is 498.7 secs Computing kpt #: 142 total cpu time spent up to now is 501.3 secs Computing kpt #: 143 total cpu time spent up to now is 504.1 secs Computing kpt #: 144 total cpu time spent up to now is 506.8 secs Computing kpt #: 145 total cpu time spent up to now is 509.5 secs Computing kpt #: 146 total cpu time spent up to now is 512.2 secs Computing kpt #: 147 total cpu time spent up to now is 514.9 secs Computing kpt #: 148 total cpu time spent up to now is 517.6 secs Computing kpt #: 149 total cpu time spent up to now is 520.3 secs Computing kpt #: 150 total cpu time spent up to now is 523.1 secs Computing kpt #: 151 total cpu time spent up to now is 525.8 secs Computing kpt #: 152 total cpu time spent up to now is 528.6 secs Computing kpt #: 153 total cpu time spent up to now is 531.3 secs Computing kpt #: 154 total cpu time spent up to now is 534.0 secs Computing kpt #: 155 total cpu time spent up to now is 536.8 secs Computing kpt #: 156 total cpu time spent up to now is 539.6 secs Computing kpt #: 157 total cpu time spent up to now is 542.3 secs Computing kpt #: 158 total cpu time spent up to now is 545.1 secs Computing kpt #: 159 total cpu time spent up to now is 548.0 secs Computing kpt #: 160 total cpu time spent up to now is 551.4 secs Computing kpt #: 161 total cpu time spent up to now is 554.7 secs Computing kpt #: 162 total cpu time spent up to now is 558.1 secs Computing kpt #: 163 total cpu time spent up to now is 561.5 secs Computing kpt #: 164 total cpu time spent up to now is 564.9 secs Computing kpt #: 165 total cpu time spent up to now is 568.1 secs Computing kpt #: 166 total cpu time spent up to now is 571.2 secs Computing kpt #: 167 total cpu time spent up to now is 574.2 secs Computing kpt #: 168 total cpu time spent up to now is 577.5 secs Computing kpt #: 169 total cpu time spent up to now is 580.3 secs Computing kpt #: 170 total cpu time spent up to now is 583.4 secs Computing kpt #: 171 total cpu time spent up to now is 586.2 secs Computing kpt #: 172 total cpu time spent up to now is 589.1 secs Computing kpt #: 173 total cpu time spent up to now is 592.1 secs Computing kpt #: 174 total cpu time spent up to now is 595.1 secs Computing kpt #: 175 total cpu time spent up to now is 597.9 secs Computing kpt #: 176 total cpu time spent up to now is 600.7 secs Computing kpt #: 177 total cpu time spent up to now is 603.5 secs Computing kpt #: 178 total cpu time spent up to now is 606.5 secs Computing kpt #: 179 total cpu time spent up to now is 609.3 secs Computing kpt #: 180 total cpu time spent up to now is 612.2 secs Computing kpt #: 181 total cpu time spent up to now is 615.0 secs Computing kpt #: 182 total cpu time spent up to now is 617.8 secs Computing kpt #: 183 total cpu time spent up to now is 620.6 secs Computing kpt #: 184 total cpu time spent up to now is 623.5 secs Computing kpt #: 185 total cpu time spent up to now is 626.3 secs Computing kpt #: 186 total cpu time spent up to now is 629.1 secs Computing kpt #: 187 total cpu time spent up to now is 632.0 secs Computing kpt #: 188 total cpu time spent up to now is 634.9 secs Computing kpt #: 189 total cpu time spent up to now is 637.7 secs Computing kpt #: 190 total cpu time spent up to now is 640.5 secs Computing kpt #: 191 total cpu time spent up to now is 643.3 secs Computing kpt #: 192 total cpu time spent up to now is 646.1 secs Computing kpt #: 193 total cpu time spent up to now is 649.0 secs Computing kpt #: 194 total cpu time spent up to now is 651.8 secs Computing kpt #: 195 total cpu time spent up to now is 654.7 secs Computing kpt #: 196 total cpu time spent up to now is 657.6 secs Computing kpt #: 197 total cpu time spent up to now is 660.5 secs Computing kpt #: 198 total cpu time spent up to now is 663.4 secs Computing kpt #: 199 total cpu time spent up to now is 666.3 secs Computing kpt #: 200 total cpu time spent up to now is 669.3 secs Computing kpt #: 201 total cpu time spent up to now is 672.3 secs Computing kpt #: 202 total cpu time spent up to now is 675.2 secs Computing kpt #: 203 total cpu time spent up to now is 678.5 secs Computing kpt #: 204 total cpu time spent up to now is 681.6 secs Computing kpt #: 205 total cpu time spent up to now is 684.6 secs Computing kpt #: 206 total cpu time spent up to now is 687.9 secs Computing kpt #: 207 total cpu time spent up to now is 691.3 secs Computing kpt #: 208 total cpu time spent up to now is 694.7 secs Computing kpt #: 209 total cpu time spent up to now is 698.0 secs Computing kpt #: 210 total cpu time spent up to now is 701.3 secs Computing kpt #: 211 total cpu time spent up to now is 704.3 secs Computing kpt #: 212 total cpu time spent up to now is 707.1 secs Computing kpt #: 213 total cpu time spent up to now is 710.0 secs Computing kpt #: 214 total cpu time spent up to now is 712.7 secs Computing kpt #: 215 total cpu time spent up to now is 715.4 secs Computing kpt #: 216 total cpu time spent up to now is 718.1 secs Computing kpt #: 217 total cpu time spent up to now is 720.9 secs Computing kpt #: 218 total cpu time spent up to now is 723.6 secs Computing kpt #: 219 total cpu time spent up to now is 726.5 secs Computing kpt #: 220 total cpu time spent up to now is 729.3 secs Computing kpt #: 221 total cpu time spent up to now is 732.1 secs Computing kpt #: 222 total cpu time spent up to now is 734.9 secs Computing kpt #: 223 total cpu time spent up to now is 737.7 secs Computing kpt #: 224 total cpu time spent up to now is 740.4 secs Computing kpt #: 225 total cpu time spent up to now is 743.1 secs Computing kpt #: 226 total cpu time spent up to now is 745.8 secs Computing kpt #: 227 total cpu time spent up to now is 748.6 secs Computing kpt #: 228 total cpu time spent up to now is 751.3 secs Computing kpt #: 229 total cpu time spent up to now is 754.1 secs Computing kpt #: 230 total cpu time spent up to now is 756.9 secs Computing kpt #: 231 total cpu time spent up to now is 759.7 secs Computing kpt #: 232 total cpu time spent up to now is 762.8 secs Computing kpt #: 233 total cpu time spent up to now is 766.2 secs Computing kpt #: 234 total cpu time spent up to now is 769.7 secs Computing kpt #: 235 total cpu time spent up to now is 773.4 secs Computing kpt #: 236 total cpu time spent up to now is 777.0 secs Computing kpt #: 237 total cpu time spent up to now is 780.4 secs Computing kpt #: 238 total cpu time spent up to now is 783.8 secs Computing kpt #: 239 total cpu time spent up to now is 787.4 secs Computing kpt #: 240 total cpu time spent up to now is 790.5 secs Computing kpt #: 241 total cpu time spent up to now is 793.8 secs Computing kpt #: 242 total cpu time spent up to now is 796.9 secs Computing kpt #: 243 total cpu time spent up to now is 800.1 secs Computing kpt #: 244 total cpu time spent up to now is 803.3 secs Computing kpt #: 245 total cpu time spent up to now is 806.5 secs Computing kpt #: 246 total cpu time spent up to now is 809.5 secs Computing kpt #: 247 total cpu time spent up to now is 812.6 secs Computing kpt #: 248 total cpu time spent up to now is 815.7 secs Computing kpt #: 249 total cpu time spent up to now is 818.8 secs Computing kpt #: 250 total cpu time spent up to now is 822.4 secs Computing kpt #: 251 total cpu time spent up to now is 825.5 secs Computing kpt #: 252 total cpu time spent up to now is 828.7 secs Computing kpt #: 253 total cpu time spent up to now is 831.9 secs Computing kpt #: 254 total cpu time spent up to now is 835.6 secs Computing kpt #: 255 total cpu time spent up to now is 839.2 secs Computing kpt #: 256 total cpu time spent up to now is 842.4 secs Computing kpt #: 257 total cpu time spent up to now is 846.0 secs Computing kpt #: 258 total cpu time spent up to now is 849.5 secs Computing kpt #: 259 total cpu time spent up to now is 853.1 secs Computing kpt #: 260 total cpu time spent up to now is 856.7 secs Computing kpt #: 261 total cpu time spent up to now is 860.5 secs Computing kpt #: 262 total cpu time spent up to now is 864.0 secs Computing kpt #: 263 total cpu time spent up to now is 867.8 secs Computing kpt #: 264 total cpu time spent up to now is 871.3 secs Computing kpt #: 265 total cpu time spent up to now is 874.9 secs Computing kpt #: 266 total cpu time spent up to now is 878.6 secs Computing kpt #: 267 total cpu time spent up to now is 881.7 secs Computing kpt #: 268 total cpu time spent up to now is 884.7 secs Computing kpt #: 269 total cpu time spent up to now is 887.6 secs Computing kpt #: 270 total cpu time spent up to now is 890.3 secs Computing kpt #: 271 total cpu time spent up to now is 893.0 secs Computing kpt #: 272 total cpu time spent up to now is 895.8 secs Computing kpt #: 273 total cpu time spent up to now is 898.5 secs Computing kpt #: 274 total cpu time spent up to now is 901.3 secs Computing kpt #: 275 total cpu time spent up to now is 904.0 secs Computing kpt #: 276 total cpu time spent up to now is 906.7 secs Computing kpt #: 277 total cpu time spent up to now is 909.5 secs Computing kpt #: 278 total cpu time spent up to now is 912.2 secs Computing kpt #: 279 total cpu time spent up to now is 914.9 secs Computing kpt #: 280 total cpu time spent up to now is 917.8 secs Computing kpt #: 281 total cpu time spent up to now is 920.6 secs Computing kpt #: 282 total cpu time spent up to now is 923.4 secs Computing kpt #: 283 total cpu time spent up to now is 926.1 secs Computing kpt #: 284 total cpu time spent up to now is 928.7 secs Computing kpt #: 285 total cpu time spent up to now is 931.3 secs Computing kpt #: 286 total cpu time spent up to now is 933.9 secs Computing kpt #: 287 total cpu time spent up to now is 936.6 secs Computing kpt #: 288 total cpu time spent up to now is 939.2 secs Computing kpt #: 289 total cpu time spent up to now is 941.8 secs Computing kpt #: 290 total cpu time spent up to now is 944.4 secs Computing kpt #: 291 total cpu time spent up to now is 947.1 secs Computing kpt #: 292 total cpu time spent up to now is 949.9 secs Computing kpt #: 293 total cpu time spent up to now is 952.8 secs Computing kpt #: 294 total cpu time spent up to now is 955.5 secs Computing kpt #: 295 total cpu time spent up to now is 959.2 secs Computing kpt #: 296 total cpu time spent up to now is 961.8 secs Computing kpt #: 297 total cpu time spent up to now is 964.5 secs Computing kpt #: 298 total cpu time spent up to now is 967.3 secs Computing kpt #: 299 total cpu time spent up to now is 970.1 secs Computing kpt #: 300 total cpu time spent up to now is 972.8 secs Computing kpt #: 301 total cpu time spent up to now is 975.4 secs Computing kpt #: 302 total cpu time spent up to now is 978.3 secs Computing kpt #: 303 total cpu time spent up to now is 981.0 secs Computing kpt #: 304 total cpu time spent up to now is 983.7 secs Computing kpt #: 305 total cpu time spent up to now is 986.6 secs Computing kpt #: 306 total cpu time spent up to now is 989.4 secs Computing kpt #: 307 total cpu time spent up to now is 992.3 secs Computing kpt #: 308 total cpu time spent up to now is 995.4 secs Computing kpt #: 309 total cpu time spent up to now is 998.6 secs Computing kpt #: 310 total cpu time spent up to now is 1002.3 secs Computing kpt #: 311 total cpu time spent up to now is 1006.1 secs Computing kpt #: 312 total cpu time spent up to now is 1009.8 secs Computing kpt #: 313 total cpu time spent up to now is 1014.0 secs Computing kpt #: 314 total cpu time spent up to now is 1017.9 secs Computing kpt #: 315 total cpu time spent up to now is 1021.4 secs Computing kpt #: 316 total cpu time spent up to now is 1024.9 secs Computing kpt #: 317 total cpu time spent up to now is 1028.6 secs Computing kpt #: 318 total cpu time spent up to now is 1032.1 secs Computing kpt #: 319 total cpu time spent up to now is 1035.6 secs Computing kpt #: 320 total cpu time spent up to now is 1039.5 secs Computing kpt #: 321 total cpu time spent up to now is 1042.7 secs Computing kpt #: 322 total cpu time spent up to now is 1045.8 secs Computing kpt #: 323 total cpu time spent up to now is 1049.0 secs Computing kpt #: 324 total cpu time spent up to now is 1052.1 secs Computing kpt #: 325 total cpu time spent up to now is 1055.4 secs Computing kpt #: 326 total cpu time spent up to now is 1058.7 secs Computing kpt #: 327 total cpu time spent up to now is 1061.7 secs ethr = 2.50E-11, avg # of iterations = 36.6 total cpu time spent up to now is 1061.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 14431 PWs) bands (ev): -18.4895 -18.4895 -18.4770 -18.4770 -18.4687 -18.4687 -18.4643 -18.4643 -16.0187 -16.0187 -15.9379 -15.9379 -15.9261 -15.9261 -15.9249 -15.9249 -15.8972 -15.8972 -15.8705 -15.8705 -13.9589 -13.9589 -12.4171 -12.4171 -7.8710 -7.8710 -6.2294 -6.2294 -4.3690 -4.3690 -3.6800 -3.6800 -3.3866 -3.3866 -2.6535 -2.6535 -2.3047 -2.3047 -0.9102 -0.9102 0.1842 0.1842 2.3006 2.3006 3.0937 3.0937 3.1258 3.1258 k = 0.0090 0.0091-0.0005 ( 14440 PWs) bands (ev): -18.4896 -18.4894 -18.4771 -18.4768 -18.4690 -18.4685 -18.4643 -18.4643 -16.0188 -16.0185 -15.9380 -15.9377 -15.9261 -15.9260 -15.9249 -15.9248 -15.8972 -15.8972 -15.8705 -15.8705 -13.9580 -13.9578 -12.4170 -12.4165 -7.8739 -7.8739 -6.2331 -6.2330 -4.3705 -4.3682 -3.6781 -3.6768 -3.3879 -3.3840 -2.6506 -2.6486 -2.3047 -2.3009 -0.9114 -0.9114 0.1849 0.1862 2.3012 2.3018 3.0921 3.0965 3.1229 3.1301 k = 0.0180 0.0182-0.0011 ( 14428 PWs) bands (ev): -18.4896 -18.4893 -18.4772 -18.4766 -18.4691 -18.4683 -18.4643 -18.4643 -16.0187 -16.0182 -15.9381 -15.9375 -15.9262 -15.9259 -15.9248 -15.9247 -15.8973 -15.8972 -15.8707 -15.8707 -13.9550 -13.9546 -12.4160 -12.4150 -7.8825 -7.8825 -6.2443 -6.2440 -4.3725 -4.3680 -3.6714 -3.6688 -3.3874 -3.3797 -2.6407 -2.6367 -2.3001 -2.2925 -0.9150 -0.9149 0.1884 0.1909 2.3037 2.3050 3.0918 3.1001 3.1214 3.1359 k = 0.0270 0.0273-0.0016 ( 14430 PWs) bands (ev): -18.4896 -18.4892 -18.4773 -18.4765 -18.4693 -18.4680 -18.4642 -18.4642 -16.0185 -16.0177 -15.9382 -15.9372 -15.9262 -15.9257 -15.9246 -15.9245 -15.8974 -15.8973 -15.8710 -15.8709 -13.9499 -13.9493 -12.4143 -12.4128 -7.8966 -7.8965 -6.2626 -6.2621 -4.3747 -4.3681 -3.6615 -3.6578 -3.3835 -3.3722 -2.6262 -2.6200 -2.2892 -2.2781 -0.9209 -0.9207 0.1946 0.1984 2.3080 2.3099 3.0923 3.1026 3.1228 3.1433 k = 0.0360 0.0364-0.0022 ( 14418 PWs) bands (ev): -18.4896 -18.4890 -18.4773 -18.4763 -18.4695 -18.4677 -18.4642 -18.4642 -16.0181 -16.0170 -15.9381 -15.9369 -15.9261 -15.9255 -15.9243 -15.9242 -15.8976 -15.8975 -15.8714 -15.8713 -13.9428 -13.9419 -12.4118 -12.4099 -7.9159 -7.9158 -6.2877 -6.2872 -4.3768 -4.3681 -3.6510 -3.6467 -3.3735 -3.3592 -2.6107 -2.6022 -2.2691 -2.2548 -0.9292 -0.9289 0.2036 0.2087 2.3140 2.3166 3.0926 3.1009 3.1290 3.1524 k = 0.0450 0.0455-0.0027 ( 14420 PWs) bands (ev): -18.4896 -18.4888 -18.4774 -18.4761 -18.4696 -18.4674 -18.4641 -18.4641 -16.0175 -16.0163 -15.9381 -15.9365 -15.9260 -15.9253 -15.9239 -15.9238 -15.8978 -15.8977 -15.8718 -15.8717 -13.9336 -13.9325 -12.4086 -12.4061 -7.9400 -7.9398 -6.3194 -6.3187 -4.3782 -4.3677 -3.6432 -3.6391 -3.3538 -3.3375 -2.5986 -2.5873 -2.2369 -2.2201 -0.9398 -0.9394 0.2154 0.2218 2.3216 2.3249 3.0898 3.0948 3.1395 3.1633 k = 0.0540 0.0545-0.0033 ( 14409 PWs) bands (ev): -18.4895 -18.4886 -18.4774 -18.4758 -18.4698 -18.4671 -18.4641 -18.4640 -16.0169 -16.0154 -15.9379 -15.9361 -15.9259 -15.9251 -15.9235 -15.9234 -15.8980 -15.8979 -15.8724 -15.8722 -13.9223 -13.9210 -12.4046 -12.4017 -7.9683 -7.9682 -6.3570 -6.3561 -4.3785 -4.3662 -3.6409 -3.6384 -3.3216 -3.3046 -2.5931 -2.5785 -2.1906 -2.1719 -0.9527 -0.9521 0.2301 0.2378 2.3306 2.3347 3.0756 3.0890 3.1532 3.1759 k = 0.0630 0.0636-0.0038 ( 14411 PWs) bands (ev): -18.4894 -18.4883 -18.4774 -18.4756 -18.4699 -18.4668 -18.4640 -18.4639 -16.0161 -16.0144 -15.9377 -15.9357 -15.9257 -15.9249 -15.9230 -15.9229 -15.8983 -15.8983 -15.8731 -15.8729 -13.9089 -13.9074 -12.3998 -12.3965 -8.0003 -8.0003 -6.4000 -6.3991 -4.3772 -4.3634 -3.6459 -3.6458 -3.2760 -3.2594 -2.5953 -2.5770 -2.1305 -2.1103 -0.9679 -0.9671 0.2477 0.2567 2.3407 2.3457 3.0490 3.0781 3.1696 3.1905 k = 0.0720 0.0727-0.0044 ( 14407 PWs) bands (ev): -18.4893 -18.4881 -18.4774 -18.4753 -18.4700 -18.4665 -18.4639 -18.4638 -16.0151 -16.0134 -15.9375 -15.9353 -15.9255 -15.9246 -15.9225 -15.9223 -15.8987 -15.8987 -15.8739 -15.8736 -13.8934 -13.8918 -12.3944 -12.3906 -8.0355 -8.0355 -6.4478 -6.4468 -4.3740 -4.3587 -3.6609 -3.6580 -3.2178 -3.2022 -2.6050 -2.5828 -2.0584 -2.0372 -0.9853 -0.9843 0.2681 0.2785 2.3514 2.3575 3.0081 3.0567 3.1882 3.2068 k = 0.0810 0.0818-0.0049 ( 14415 PWs) bands (ev): -18.4892 -18.4878 -18.4774 -18.4751 -18.4701 -18.4662 -18.4638 -18.4637 -16.0141 -16.0122 -15.9372 -15.9349 -15.9254 -15.9242 -15.9219 -15.9216 -15.8992 -15.8991 -15.8747 -15.8743 -13.8758 -13.8741 -12.3882 -12.3840 -8.0733 -8.0732 -6.4998 -6.4987 -4.3687 -4.3519 -3.6823 -3.6764 -3.1488 -3.1345 -2.6209 -2.5947 -1.9770 -1.9550 -1.0047 -1.0035 0.2913 0.3031 2.3622 2.3695 2.9521 3.0202 3.2089 3.2246 k = 0.0900 0.0909-0.0055 ( 14413 PWs) bands (ev): -18.4891 -18.4875 -18.4773 -18.4748 -18.4702 -18.4659 -18.4637 -18.4636 -16.0129 -16.0110 -15.9368 -15.9344 -15.9252 -15.9239 -15.9213 -15.9209 -15.8997 -15.8995 -15.8757 -15.8752 -13.8562 -13.8543 -12.3814 -12.3768 -8.1131 -8.1129 -6.5552 -6.5541 -4.3612 -4.3429 -3.7086 -3.7000 -3.0710 -3.0579 -2.6420 -2.6118 -1.8890 -1.8661 -1.0262 -1.0245 0.3173 0.3305 2.3719 2.3804 2.8832 2.9665 3.2313 3.2430 k = 0.0990 0.1000-0.0060 ( 14393 PWs) bands (ev): -18.4890 -18.4872 -18.4772 -18.4746 -18.4703 -18.4656 -18.4636 -18.4634 -16.0117 -16.0097 -15.9364 -15.9340 -15.9251 -15.9235 -15.9206 -15.9202 -15.9003 -15.9000 -15.8767 -15.8761 -13.8344 -13.8325 -12.3739 -12.3690 -8.1542 -8.1538 -6.6135 -6.6124 -4.3516 -4.3316 -3.7388 -3.7278 -2.9860 -2.9742 -2.6674 -2.6332 -1.7968 -1.7733 -1.0493 -1.0471 0.3458 0.3605 2.3789 2.3883 2.8066 2.8977 3.2546 3.2603 k = 0.1080 0.1091-0.0066 ( 14395 PWs) bands (ev): -18.4888 -18.4868 -18.4772 -18.4743 -18.4704 -18.4653 -18.4635 -18.4633 -16.0103 -16.0085 -15.9360 -15.9336 -15.9251 -15.9230 -15.9199 -15.9194 -15.9011 -15.9005 -15.8778 -15.8771 -13.8106 -13.8086 -12.3659 -12.3606 -8.1961 -8.1956 -6.6740 -6.6729 -4.3400 -4.3182 -3.7717 -3.7588 -2.8953 -2.8847 -2.6962 -2.6581 -1.7031 -1.6788 -1.0739 -1.0711 0.3768 0.3929 2.3800 2.3891 2.7299 2.8203 3.2698 3.2788 k = 0.1169 0.1182-0.0071 ( 14396 PWs) bands (ev): -18.4887 -18.4865 -18.4770 -18.4740 -18.4706 -18.4650 -18.4633 -18.4632 -16.0089 -16.0072 -15.9355 -15.9332 -15.9251 -15.9226 -15.9192 -15.9187 -15.9019 -15.9009 -15.8789 -15.8781 -13.7848 -13.7827 -12.3573 -12.3517 -8.2382 -8.2375 -6.7362 -6.7352 -4.3269 -4.3029 -3.8065 -3.7921 -2.8003 -2.7925 -2.7265 -2.6859 -1.6102 -1.5854 -1.0995 -1.0959 0.4101 0.4276 2.3703 2.3758 2.6633 2.7442 3.2613 3.2987 k = 0.1259 0.1273-0.0077 ( 14395 PWs) bands (ev): -18.4886 -18.4861 -18.4769 -18.4737 -18.4707 -18.4647 -18.4632 -18.4630 -16.0075 -16.0059 -15.9350 -15.9329 -15.9253 -15.9221 -15.9184 -15.9180 -15.9027 -15.9014 -15.8800 -15.8792 -13.7569 -13.7548 -12.3482 -12.3423 -8.2801 -8.2792 -6.7995 -6.7986 -4.3128 -4.2862 -3.8420 -3.8268 -2.7676 -2.7217 -2.6968 -2.6889 -1.5212 -1.4958 -1.1256 -1.1209 0.4453 0.4642 2.3403 2.3432 2.6177 2.6799 3.2214 3.3070 k = 0.1349 0.1364-0.0082 ( 14394 PWs) bands (ev): -18.4884 -18.4857 -18.4768 -18.4735 -18.4708 -18.4645 -18.4631 -18.4629 -16.0060 -16.0046 -15.9345 -15.9327 -15.9255 -15.9216 -15.9176 -15.9173 -15.9035 -15.9017 -15.8812 -15.8802 -13.7270 -13.7248 -12.3386 -12.3325 -8.3212 -8.3202 -6.8634 -6.8626 -4.2988 -4.2690 -3.8771 -3.8617 -2.8036 -2.7513 -2.5997 -2.5910 -1.4393 -1.4136 -1.1511 -1.1452 0.4823 0.5026 2.2835 2.2956 2.5937 2.6331 3.1570 3.2832 k = 0.1439 0.1455-0.0088 ( 14391 PWs) bands (ev): -18.4883 -18.4853 -18.4766 -18.4732 -18.4710 -18.4642 -18.4630 -18.4628 -16.0045 -16.0034 -15.9340 -15.9326 -15.9259 -15.9211 -15.9169 -15.9167 -15.9043 -15.9020 -15.8824 -15.8813 -13.6951 -13.6929 -12.3286 -12.3223 -8.3610 -8.3599 -6.9275 -6.9268 -4.2864 -4.2525 -3.9098 -3.8953 -2.8430 -2.7863 -2.4987 -2.4912 -1.3691 -1.3435 -1.1739 -1.1666 0.5211 0.5426 2.2165 2.2332 2.5806 2.5981 3.0839 3.2142 k = 0.1529 0.1546-0.0093 ( 14385 PWs) bands (ev): -18.4882 -18.4849 -18.4765 -18.4729 -18.4711 -18.4640 -18.4628 -18.4627 -16.0031 -16.0023 -15.9335 -15.9329 -15.9263 -15.9205 -15.9167 -15.9158 -15.9049 -15.9021 -15.8836 -15.8824 -13.6612 -13.6590 -12.3183 -12.3119 -8.3993 -8.3980 -6.9913 -6.9907 -4.2780 -4.2389 -3.9377 -3.9250 -2.8847 -2.8231 -2.3985 -2.3921 -1.3172 -1.2944 -1.1878 -1.1812 0.5617 0.5840 2.1500 2.1667 2.5612 2.5647 3.0163 3.1243 k = 0.1619 0.1636-0.0099 ( 14397 PWs) bands (ev): -18.4881 -18.4846 -18.4763 -18.4727 -18.4713 -18.4638 -18.4627 -18.4626 -16.0016 -16.0012 -15.9335 -15.9330 -15.9267 -15.9200 -15.9169 -15.9149 -15.9052 -15.9021 -15.8847 -15.8834 -13.6254 -13.6233 -12.3078 -12.3011 -8.4355 -8.4340 -7.0545 -7.0541 -4.2767 -4.2317 -3.9577 -3.9475 -2.9281 -2.8615 -2.3008 -2.2956 -1.2920 -1.2787 -1.1833 -1.1829 0.6043 0.6269 2.0907 2.1048 2.5092 2.5335 2.9668 3.0426 k = 0.1709 0.1727-0.0104 ( 14384 PWs) bands (ev): -18.4880 -18.4842 -18.4761 -18.4724 -18.4716 -18.4636 -18.4626 -18.4625 -16.0003 -16.0002 -15.9346 -15.9326 -15.9270 -15.9195 -15.9176 -15.9139 -15.9052 -15.9020 -15.8858 -15.8844 -13.5878 -13.5856 -12.2970 -12.2902 -8.4693 -8.4678 -7.1167 -7.1165 -4.2852 -4.2346 -3.9667 -3.9587 -2.9731 -2.9011 -2.2078 -2.2039 -1.2908 -1.2877 -1.1767 -1.1712 0.6492 0.6713 2.0416 2.0518 2.4380 2.4786 2.9415 2.9876 k = 0.1799 0.1818-0.0110 ( 14393 PWs) bands (ev): -18.4880 -18.4838 -18.4759 -18.4721 -18.4718 -18.4634 -18.4625 -18.4624 -15.9995 -15.9988 -15.9361 -15.9323 -15.9272 -15.9192 -15.9185 -15.9129 -15.9047 -15.9018 -15.8868 -15.8853 -13.5482 -13.5461 -12.2860 -12.2792 -8.5004 -8.4988 -7.1776 -7.1776 -4.3049 -4.2501 -3.9635 -3.9560 -3.0194 -2.9416 -2.1222 -2.1196 -1.3026 -1.2985 -1.1787 -1.1717 0.6967 0.7167 2.0019 2.0078 2.3558 2.4044 2.9380 2.9636 k = 0.1889 0.1909-0.0115 ( 14406 PWs) bands (ev): -18.4879 -18.4834 -18.4756 -18.4721 -18.4719 -18.4633 -18.4624 -18.4623 -15.9988 -15.9976 -15.9381 -15.9322 -15.9272 -15.9203 -15.9183 -15.9120 -15.9039 -15.9015 -15.8877 -15.8861 -13.5070 -13.5049 -12.2751 -12.2682 -8.5286 -8.5269 -7.2373 -7.2370 -4.3344 -4.2772 -3.9492 -3.9406 -3.0669 -2.9829 -2.0470 -2.0457 -1.3161 -1.3054 -1.1984 -1.1918 0.7461 0.7621 1.9666 1.9673 2.2795 2.3287 2.9500 2.9639 k = 0.1979 0.2000-0.0121 ( 14402 PWs) bands (ev): -18.4879 -18.4831 -18.4754 -18.4724 -18.4716 -18.4633 -18.4623 -18.4622 -15.9983 -15.9964 -15.9404 -15.9325 -15.9273 -15.9217 -15.9179 -15.9111 -15.9029 -15.9012 -15.8885 -15.8867 -13.4640 -13.4620 -12.2641 -12.2572 -8.5534 -8.5518 -7.2952 -7.2947 -4.3715 -4.3126 -3.9264 -3.9153 -3.1154 -3.0245 -1.9856 -1.9854 -1.3282 -1.3075 -1.2382 -1.2297 0.7952 0.8046 1.9202 1.9287 2.2282 2.2731 2.9725 2.9801 k = 0.2069 0.2091-0.0126 ( 14386 PWs) bands (ev): -18.4879 -18.4827 -18.4751 -18.4728 -18.4714 -18.4634 -18.4622 -18.4621 -15.9979 -15.9954 -15.9430 -15.9332 -15.9273 -15.9230 -15.9175 -15.9102 -15.9018 -15.9008 -15.8891 -15.8871 -13.4194 -13.4174 -12.2532 -12.2464 -8.5748 -8.5731 -7.3511 -7.3504 -4.4135 -4.3534 -3.8976 -3.8833 -3.1648 -3.0661 -1.9415 -1.9408 -1.3541 -1.3171 -1.2839 -1.2676 0.8393 0.8399 1.8650 1.8852 2.2126 2.2517 3.0024 3.0067 k = 0.2159 0.2182-0.0131 ( 14390 PWs) bands (ev): -18.4879 -18.4824 -18.4749 -18.4732 -18.4711 -18.4635 -18.4621 -18.4619 -15.9978 -15.9946 -15.9459 -15.9346 -15.9274 -15.9240 -15.9172 -15.9094 -15.9005 -15.9004 -15.8896 -15.8873 -13.3732 -13.3713 -12.2424 -12.2357 -8.5924 -8.5908 -7.4048 -7.4038 -4.4589 -4.3976 -3.8647 -3.8465 -3.2147 -3.1075 -1.9149 -1.9145 -1.4222 -1.3891 -1.2793 -1.2751 0.8599 0.8740 1.8140 1.8475 2.2279 2.2628 3.0381 3.0408 k = 0.2249 0.2273-0.0137 ( 14390 PWs) bands (ev): -18.4880 -18.4821 -18.4746 -18.4736 -18.4709 -18.4637 -18.4620 -18.4618 -15.9978 -15.9939 -15.9489 -15.9366 -15.9275 -15.9245 -15.9170 -15.9088 -15.9000 -15.8991 -15.8898 -15.8872 -13.3256 -13.3238 -12.2319 -12.2254 -8.6061 -8.6047 -7.4561 -7.4550 -4.5063 -4.4438 -3.8292 -3.8065 -3.2651 -3.1480 -1.9066 -1.9045 -1.5205 -1.4866 -1.2641 -1.2620 0.8610 0.8907 1.7842 1.8316 2.2640 2.2966 3.0791 3.0811 k = 0.2339 0.2364-0.0142 ( 14398 PWs) bands (ev): -18.4881 -18.4819 -18.4744 -18.4740 -18.4707 -18.4640 -18.4619 -18.4616 -15.9981 -15.9935 -15.9520 -15.9392 -15.9277 -15.9247 -15.9169 -15.9083 -15.8995 -15.8977 -15.8899 -15.8868 -13.2766 -13.2749 -12.2217 -12.2153 -8.6158 -8.6145 -7.5050 -7.5036 -4.5549 -4.4912 -3.7926 -3.7643 -3.3157 -3.1871 -1.9162 -1.9085 -1.6336 -1.5983 -1.2499 -1.2456 0.8422 0.8869 1.7864 1.8468 2.3125 2.3440 3.1254 3.1274 k = 0.2429 0.2455-0.0148 ( 14398 PWs) bands (ev): -18.4882 -18.4816 -18.4746 -18.4740 -18.4705 -18.4643 -18.4619 -18.4614 -15.9986 -15.9933 -15.9553 -15.9422 -15.9280 -15.9247 -15.9169 -15.9081 -15.8988 -15.8963 -15.8897 -15.8863 -13.2264 -13.2248 -12.2119 -12.2057 -8.6212 -8.6202 -7.5512 -7.5496 -4.6041 -4.5390 -3.7561 -3.7211 -3.3661 -3.2240 -1.9464 -1.9247 -1.7497 -1.7193 -1.2415 -1.2371 0.8101 0.8668 1.8217 1.8927 2.3674 2.3983 3.1777 3.1803 k = 0.2519 0.2546-0.0153 ( 14398 PWs) bands (ev): -18.4883 -18.4814 -18.4751 -18.4738 -18.4702 -18.4646 -18.4619 -18.4613 -15.9993 -15.9934 -15.9585 -15.9454 -15.9283 -15.9246 -15.9169 -15.9080 -15.8980 -15.8948 -15.8894 -15.8855 -13.1751 -13.1735 -12.2025 -12.1965 -8.6224 -8.6216 -7.5946 -7.5927 -4.6534 -4.5869 -3.7215 -3.6783 -3.4153 -3.2575 -2.0127 -1.9568 -1.8470 -1.8401 -1.2457 -1.2425 0.7751 0.8401 1.8840 1.9633 2.4238 2.4542 3.2366 3.2403 k = 0.2609 0.2637-0.0159 ( 14397 PWs) bands (ev): -18.4884 -18.4812 -18.4756 -18.4735 -18.4700 -18.4651 -18.4618 -18.4611 -16.0002 -15.9938 -15.9618 -15.9488 -15.9286 -15.9244 -15.9171 -15.9082 -15.8970 -15.8933 -15.8889 -15.8846 -13.1228 -13.1213 -12.1936 -12.1878 -8.6191 -8.6187 -7.6350 -7.6330 -4.7026 -4.6345 -3.6908 -3.6391 -3.4608 -3.2858 -2.1268 -2.0335 -1.9274 -1.9084 -1.2673 -1.2668 0.7470 0.8171 1.9651 2.0514 2.4784 2.5077 3.3027 3.3079 k = 0.2699 0.2727-0.0164 ( 14397 PWs) bands (ev): -18.4886 -18.4811 -18.4762 -18.4732 -18.4699 -18.4656 -18.4618 -18.4610 -16.0013 -15.9946 -15.9651 -15.9524 -15.9290 -15.9242 -15.9173 -15.9084 -15.8959 -15.8918 -15.8882 -15.8836 -13.0698 -13.0683 -12.1852 -12.1797 -8.6115 -8.6114 -7.6724 -7.6702 -4.7512 -4.6816 -3.6671 -3.6143 -3.4926 -3.3067 -2.2675 -2.1599 -1.9717 -1.9509 -1.3127 -1.3094 0.7330 0.8057 2.0578 2.1509 2.5290 2.5564 3.3756 3.3828 k = 0.2789 0.2818-0.0170 ( 14378 PWs) bands (ev): -18.4888 -18.4810 -18.4768 -18.4729 -18.4697 -18.4661 -18.4618 -18.4608 -16.0027 -15.9957 -15.9682 -15.9561 -15.9294 -15.9239 -15.9176 -15.9086 -15.8947 -15.8903 -15.8874 -15.8825 -13.0160 -13.0146 -12.1774 -12.1721 -8.5998 -8.5994 -7.7067 -7.7043 -4.7992 -4.7279 -3.6533 -3.6261 -3.4896 -3.3182 -2.4179 -2.2988 -2.0066 -1.9879 -1.3807 -1.3728 0.7364 0.8100 2.1560 2.2566 2.5749 2.5993 3.4541 3.4635 k = 0.2879 0.2909-0.0175 ( 14376 PWs) bands (ev): -18.4890 -18.4809 -18.4774 -18.4727 -18.4695 -18.4667 -18.4618 -18.4607 -16.0042 -15.9972 -15.9713 -15.9599 -15.9298 -15.9236 -15.9179 -15.9089 -15.8935 -15.8888 -15.8865 -15.8814 -12.9618 -12.9604 -12.1702 -12.1652 -8.5838 -8.5829 -7.7377 -7.7352 -4.8462 -4.7732 -3.6675 -3.6514 -3.4601 -3.3199 -2.5702 -2.4386 -2.0402 -2.0233 -1.4692 -1.4563 0.7578 0.8312 2.2541 2.3633 2.6177 2.6376 3.5356 3.5475 k = 0.2969 0.3000-0.0181 ( 14378 PWs) bands (ev): -18.4892 -18.4809 -18.4780 -18.4724 -18.4694 -18.4673 -18.4618 -18.4606 -16.0059 -15.9991 -15.9743 -15.9637 -15.9302 -15.9234 -15.9182 -15.9092 -15.8922 -15.8873 -15.8855 -15.8803 -12.9072 -12.9059 -12.1636 -12.1589 -8.5636 -8.5621 -7.7654 -7.7628 -4.8921 -4.8174 -3.7197 -3.6610 -3.4255 -3.3161 -2.7181 -2.5742 -2.0736 -2.0580 -1.5754 -1.5575 0.7956 0.8684 2.3459 2.4644 2.6609 2.6759 3.6159 3.6307 k = 0.3059 0.3091-0.0186 ( 14388 PWs) bands (ev): -18.4894 -18.4809 -18.4786 -18.4721 -18.4692 -18.4680 -18.4618 -18.4605 -16.0077 -16.0013 -15.9773 -15.9676 -15.9305 -15.9230 -15.9185 -15.9094 -15.8909 -15.8859 -15.8844 -15.8791 -12.8525 -12.8513 -12.1576 -12.1532 -8.5392 -8.5371 -7.7896 -7.7870 -4.9368 -4.8603 -3.7774 -3.6796 -3.3950 -3.3176 -2.8519 -2.7004 -2.1069 -2.0921 -1.6955 -1.6730 0.8475 0.9196 2.4241 2.5476 2.7105 2.7249 3.6898 3.7086 k = 0.3149 0.3182-0.0192 ( 14399 PWs) bands (ev): -18.4897 -18.4810 -18.4792 -18.4718 -18.4691 -18.4686 -18.4618 -18.4604 -16.0097 -16.0037 -15.9801 -15.9716 -15.9307 -15.9227 -15.9188 -15.9096 -15.8895 -15.8846 -15.8832 -15.8780 -12.7980 -12.7967 -12.1522 -12.1482 -8.5107 -8.5079 -7.8104 -7.8077 -4.9800 -4.9018 -3.8395 -3.7041 -3.3762 -3.3453 -2.9527 -2.8099 -2.1402 -2.1257 -1.8258 -1.7995 0.9108 0.9823 2.4822 2.6004 2.7721 2.7964 3.7517 3.7773 k = 0.3239 0.3273-0.0197 ( 14387 PWs) bands (ev): -18.4899 -18.4812 -18.4798 -18.4716 -18.4694 -18.4689 -18.4618 -18.4603 -16.0118 -16.0063 -15.9830 -15.9755 -15.9309 -15.9223 -15.9191 -15.9098 -15.8882 -15.8834 -15.8819 -15.8768 -12.7437 -12.7425 -12.1475 -12.1438 -8.4784 -8.4749 -7.8277 -7.8250 -5.0217 -4.9418 -3.9066 -3.7323 -3.4207 -3.3783 -3.0007 -2.8923 -2.1739 -2.1587 -1.9623 -1.9338 0.9828 1.0541 2.5196 2.6274 2.8456 2.8848 3.7988 3.8356 k = 0.3329 0.3364-0.0203 ( 14383 PWs) bands (ev): -18.4902 -18.4814 -18.4805 -18.4714 -18.4701 -18.4688 -18.4617 -18.4602 -16.0139 -16.0090 -15.9859 -15.9795 -15.9310 -15.9220 -15.9194 -15.9100 -15.8869 -15.8822 -15.8806 -15.8757 -12.6900 -12.6888 -12.1433 -12.1399 -8.4424 -8.4381 -7.8415 -7.8388 -5.0617 -4.9800 -3.9798 -3.7633 -3.5371 -3.4090 -3.0035 -2.9390 -2.2109 -2.1913 -2.0987 -2.0724 1.0616 1.1331 2.5414 2.6410 2.9255 2.9774 3.8319 3.8853 k = 0.3419 0.3455-0.0208 ( 14372 PWs) bands (ev): -18.4904 -18.4816 -18.4810 -18.4714 -18.4707 -18.4687 -18.4617 -18.4602 -16.0160 -16.0118 -15.9888 -15.9834 -15.9309 -15.9216 -15.9196 -15.9101 -15.8856 -15.8811 -15.8793 -15.8746 -12.6370 -12.6359 -12.1397 -12.1366 -8.4029 -8.3978 -7.8516 -7.8490 -5.0999 -5.0166 -4.0603 -3.7985 -3.6705 -3.4648 -2.9835 -2.9528 -2.2776 -2.2321 -2.2052 -2.2038 1.1452 1.2174 2.5532 2.6478 3.0059 3.0665 3.8539 3.9292 k = 0.3508 0.3546-0.0214 ( 14382 PWs) bands (ev): -18.4906 -18.4820 -18.4815 -18.4720 -18.4707 -18.4686 -18.4617 -18.4601 -16.0182 -16.0146 -15.9917 -15.9873 -15.9309 -15.9212 -15.9198 -15.9103 -15.8843 -15.8800 -15.8780 -15.8736 -12.5851 -12.5840 -12.1366 -12.1339 -8.3603 -8.3544 -7.8582 -7.8556 -5.1362 -5.0512 -4.1486 -3.8601 -3.7850 -3.5333 -2.9555 -2.9473 -2.4012 -2.3575 -2.2503 -2.2482 1.2322 1.3055 2.5587 2.6511 3.0828 3.1487 3.8674 3.9647 k = 0.3598 0.3637-0.0219 ( 14356 PWs) bands (ev): -18.4908 -18.4825 -18.4819 -18.4728 -18.4705 -18.4685 -18.4616 -18.4601 -16.0203 -16.0173 -15.9947 -15.9912 -15.9307 -15.9208 -15.9200 -15.9104 -15.8830 -15.8790 -15.8767 -15.8726 -12.5344 -12.5334 -12.1341 -12.1316 -8.3150 -8.3083 -7.8613 -7.8588 -5.1704 -5.0839 -4.2448 -3.9870 -3.8355 -3.6033 -2.9393 -2.9293 -2.5267 -2.4901 -2.2815 -2.2774 1.3213 1.3963 2.5605 2.6526 3.1538 3.2223 3.8745 3.9583 k = 0.3688 0.3727-0.0225 ( 14349 PWs) bands (ev): -18.4910 -18.4830 -18.4823 -18.4736 -18.4703 -18.4685 -18.4616 -18.4600 -16.0223 -16.0200 -15.9977 -15.9950 -15.9305 -15.9207 -15.9198 -15.9105 -15.8818 -15.8781 -15.8755 -15.8717 -12.4853 -12.4843 -12.1320 -12.1298 -8.2673 -8.2597 -7.8609 -7.8586 -5.2024 -5.1146 -4.3477 -4.1300 -3.8676 -3.6690 -2.9499 -2.9187 -2.6274 -2.6045 -2.3093 -2.3047 1.4115 1.4886 2.5600 2.6531 3.2181 3.2864 3.8768 3.9431 k = 0.3778 0.3818-0.0230 ( 14337 PWs) bands (ev): -18.4912 -18.4836 -18.4826 -18.4745 -18.4701 -18.4684 -18.4615 -18.4600 -16.0243 -16.0225 -16.0007 -15.9987 -15.9302 -15.9208 -15.9195 -15.9106 -15.8806 -15.8772 -15.8743 -15.8708 -12.4379 -12.4369 -12.1303 -12.1284 -8.2176 -8.2092 -7.8572 -7.8551 -5.2321 -5.1432 -4.4554 -4.2728 -3.8959 -3.7282 -3.0054 -2.9508 -2.6781 -2.6735 -2.3350 -2.3304 1.5017 1.5815 2.5581 2.6535 3.2754 3.3414 3.8759 3.9279 k = 0.3868 0.3909-0.0236 ( 14320 PWs) bands (ev): -18.4914 -18.4841 -18.4830 -18.4753 -18.4699 -18.4683 -18.4614 -18.4600 -16.0261 -16.0248 -16.0036 -16.0023 -15.9299 -15.9210 -15.9190 -15.9107 -15.8795 -15.8763 -15.8732 -15.8699 -12.3926 -12.3917 -12.1289 -12.1274 -8.1665 -8.1574 -7.8503 -7.8484 -5.2594 -5.1697 -4.5659 -4.4124 -3.9218 -3.7806 -3.1040 -3.0381 -2.6846 -2.6812 -2.3590 -2.3544 1.5912 1.6742 2.5554 2.6540 3.3263 3.3878 3.8727 3.9139 k = 0.3958 0.4000-0.0241 ( 14324 PWs) bands (ev): -18.4915 -18.4846 -18.4833 -18.4762 -18.4697 -18.4683 -18.4614 -18.4600 -16.0278 -16.0270 -16.0066 -16.0058 -15.9295 -15.9212 -15.9185 -15.9108 -15.8785 -15.8755 -15.8722 -15.8692 -12.3495 -12.3487 -12.1279 -12.1266 -8.1145 -8.1048 -7.8405 -7.8389 -5.2840 -5.1942 -4.6768 -4.5473 -3.9458 -3.8269 -3.2213 -3.1527 -2.6653 -2.6613 -2.3812 -2.3768 1.6791 1.7657 2.5522 2.6549 3.3717 3.4267 3.8682 3.9017 k = 0.4048 0.4091-0.0247 ( 14333 PWs) bands (ev): -18.4916 -18.4851 -18.4837 -18.4770 -18.4695 -18.4682 -18.4613 -18.4600 -16.0293 -16.0289 -16.0095 -16.0092 -15.9291 -15.9215 -15.9180 -15.9110 -15.8775 -15.8748 -15.8712 -15.8685 -12.3090 -12.3083 -12.1271 -12.1261 -8.0623 -8.0520 -7.8281 -7.8268 -5.3060 -5.2165 -4.7860 -4.6764 -3.9678 -3.8676 -3.3427 -3.2738 -2.6359 -2.6327 -2.4016 -2.3975 1.7646 1.8555 2.5486 2.6560 3.4129 3.4593 3.8627 3.8921 k = 0.4138 0.4182-0.0252 ( 14332 PWs) bands (ev): -18.4916 -18.4857 -18.4840 -18.4778 -18.4693 -18.4682 -18.4612 -18.4600 -16.0307 -16.0306 -16.0125 -16.0123 -15.9287 -15.9217 -15.9175 -15.9111 -15.8766 -15.8742 -15.8703 -15.8678 -12.2713 -12.2707 -12.1266 -12.1258 -8.0106 -7.9999 -7.8134 -7.8124 -5.3252 -5.2368 -4.8918 -4.7989 -3.9878 -3.9036 -3.4617 -3.3937 -2.6040 -2.6016 -2.4203 -2.4163 1.8471 1.9426 2.5445 2.6573 3.4511 3.4870 3.8564 3.8855 k = 0.4228 0.4273-0.0258 ( 14329 PWs) bands (ev): -18.4917 -18.4862 -18.4842 -18.4786 -18.4692 -18.4681 -18.4611 -18.4600 -16.0322 -16.0318 -16.0155 -16.0150 -15.9283 -15.9220 -15.9170 -15.9113 -15.8757 -15.8736 -15.8694 -15.8673 -12.2366 -12.2362 -12.1262 -12.1257 -7.9601 -7.9492 -7.7970 -7.7963 -5.3414 -5.2552 -4.9925 -4.9137 -4.0058 -3.9353 -3.5749 -3.5088 -2.5726 -2.5706 -2.4370 -2.4332 1.9258 2.0264 2.5398 2.6581 3.4879 3.5110 3.8490 3.8824 k = 0.4318 0.4364-0.0263 ( 14327 PWs) bands (ev): -18.4916 -18.4867 -18.4844 -18.4794 -18.4690 -18.4681 -18.4610 -18.4600 -16.0334 -16.0327 -16.0185 -16.0176 -15.9279 -15.9223 -15.9165 -15.9114 -15.8749 -15.8730 -15.8686 -15.8668 -12.2052 -12.2049 -12.1259 -12.1256 -7.9116 -7.9008 -7.7794 -7.7789 -5.3546 -5.2717 -5.0865 -5.0201 -4.0217 -3.9632 -3.6802 -3.6171 -2.5433 -2.5415 -2.4515 -2.4478 2.0002 2.1061 2.5339 2.6580 3.5247 3.5324 3.8400 3.8830 k = 0.4408 0.4455-0.0268 ( 14327 PWs) bands (ev): -18.4916 -18.4872 -18.4846 -18.4801 -18.4689 -18.4681 -18.4609 -18.4600 -16.0343 -16.0334 -16.0212 -16.0200 -15.9275 -15.9225 -15.9161 -15.9116 -15.8742 -15.8726 -15.8680 -15.8664 -12.1773 -12.1770 -12.1258 -12.1254 -7.8661 -7.8556 -7.7613 -7.7611 -5.3647 -5.2868 -5.1724 -5.1169 -4.0354 -3.9878 -3.7758 -3.7170 -2.5177 -2.5156 -2.4632 -2.4594 2.0699 2.1813 2.5266 2.6560 3.5525 3.5626 3.8289 3.8878 k = 0.4498 0.4546-0.0274 ( 14343 PWs) bands (ev): -18.4915 -18.4877 -18.4846 -18.4808 -18.4688 -18.4681 -18.4609 -18.4601 -16.0350 -16.0339 -16.0237 -16.0223 -15.9270 -15.9228 -15.9156 -15.9118 -15.8736 -15.8722 -15.8673 -15.8660 -12.1536 -12.1526 -12.1259 -12.1247 -7.8244 -7.8146 -7.7435 -7.7434 -5.3717 -5.3009 -5.2484 -5.2031 -4.0469 -4.0095 -3.8598 -3.8071 -2.4998 -2.4972 -2.4686 -2.4647 2.1344 2.2513 2.5171 2.6513 3.5721 3.6026 3.8151 3.8968 k = 0.4588 0.4637-0.0279 ( 14343 PWs) bands (ev): -18.4913 -18.4882 -18.4846 -18.4815 -18.4686 -18.4681 -18.4608 -18.4601 -16.0354 -16.0341 -16.0260 -16.0245 -15.9266 -15.9231 -15.9151 -15.9120 -15.8730 -15.8719 -15.8668 -15.8657 -12.1358 -12.1325 -12.1255 -12.1220 -7.7875 -7.7787 -7.7269 -7.7267 -5.3761 -5.3221 -5.3056 -5.2775 -4.0563 -4.0288 -3.9305 -3.8861 -2.4961 -2.4945 -2.4597 -2.4573 2.1937 2.3157 2.5050 2.6430 3.5919 3.6455 3.7982 3.9093 k = 0.4678 0.4728-0.0285 ( 14342 PWs) bands (ev): -18.4912 -18.4887 -18.4846 -18.4821 -18.4685 -18.4681 -18.4607 -18.4602 -16.0356 -16.0341 -16.0280 -16.0264 -15.9262 -15.9235 -15.9147 -15.9123 -15.8726 -15.8717 -15.8664 -15.8655 -12.1291 -12.1268 -12.1145 -12.1120 -7.7562 -7.7488 -7.7121 -7.7118 -5.3794 -5.3713 -5.3375 -5.3219 -4.0636 -4.0469 -3.9856 -3.9525 -2.5003 -2.4994 -2.4452 -2.4439 2.2475 2.3741 2.4900 2.6302 3.6124 3.6909 3.7790 3.9234 k = 0.4768 0.4818-0.0290 ( 14345 PWs) bands (ev): -18.4909 -18.4891 -18.4844 -18.4826 -18.4684 -18.4681 -18.4606 -18.4602 -16.0354 -16.0339 -16.0297 -16.0281 -15.9258 -15.9238 -15.9143 -15.9125 -15.8722 -15.8716 -15.8660 -15.8654 -12.1279 -12.1268 -12.1018 -12.1007 -7.7314 -7.7258 -7.7001 -7.6998 -5.4120 -5.3974 -5.3667 -5.3330 -4.0695 -4.0652 -4.0224 -4.0047 -2.5049 -2.5043 -2.4328 -2.4321 2.2961 2.4246 2.4733 2.6123 3.6338 3.7338 3.7631 3.9333 k = 0.4858 0.4909-0.0296 ( 14353 PWs) bands (ev): -18.4906 -18.4895 -18.4842 -18.4831 -18.4684 -18.4682 -18.4605 -18.4603 -16.0350 -16.0336 -16.0311 -16.0296 -15.9254 -15.9242 -15.9139 -15.9128 -15.8719 -15.8715 -15.8657 -15.8653 -12.1275 -12.1270 -12.0931 -12.0925 -7.7138 -7.7102 -7.6915 -7.6912 -5.4391 -5.4284 -5.3662 -5.3429 -4.0819 -4.0757 -4.0425 -4.0395 -2.5084 -2.5080 -2.4240 -2.4236 2.3394 2.4398 2.4819 2.5891 3.6561 3.7286 3.7960 3.9271 k = 0.4948 0.5000-0.0301 ( 14357 PWs) bands (ev): -18.4903 -18.4899 -18.4839 -18.4835 -18.4683 -18.4682 -18.4604 -18.4603 -16.0344 -16.0337 -16.0315 -16.0308 -15.9250 -15.9245 -15.9135 -15.9131 -15.8717 -15.8715 -15.8655 -15.8654 -12.1273 -12.1271 -12.0885 -12.0883 -7.7039 -7.7025 -7.6868 -7.6867 -5.4517 -5.4477 -5.3608 -5.3519 -4.0899 -4.0851 -4.0533 -4.0520 -2.5101 -2.5100 -2.4193 -2.4192 2.3776 2.4152 2.5201 2.5602 3.6791 3.7061 3.8454 3.8976 k = 0.4948 0.5000-0.0301 ( 14357 PWs) bands (ev): -18.4903 -18.4899 -18.4839 -18.4835 -18.4683 -18.4682 -18.4604 -18.4603 -16.0344 -16.0337 -16.0315 -16.0308 -15.9250 -15.9245 -15.9135 -15.9131 -15.8717 -15.8715 -15.8655 -15.8654 -12.1273 -12.1271 -12.0885 -12.0883 -7.7039 -7.7025 -7.6868 -7.6867 -5.4517 -5.4477 -5.3608 -5.3519 -4.0899 -4.0851 -4.0533 -4.0520 -2.5101 -2.5100 -2.4193 -2.4192 2.3776 2.4152 2.5201 2.5602 3.6791 3.7061 3.8454 3.8976 k = 0.4955 0.5007-0.0189 ( 14345 PWs) bands (ev): -18.4903 -18.4900 -18.4839 -18.4835 -18.4683 -18.4682 -18.4604 -18.4604 -16.0344 -16.0337 -16.0315 -16.0308 -15.9249 -15.9245 -15.9135 -15.9132 -15.8717 -15.8715 -15.8655 -15.8654 -12.1273 -12.1271 -12.0883 -12.0881 -7.7035 -7.7023 -7.6866 -7.6865 -5.4520 -5.4485 -5.3603 -5.3526 -4.0900 -4.0858 -4.0536 -4.0524 -2.5102 -2.5101 -2.4192 -2.4191 2.3802 2.4130 2.5228 2.5579 3.6808 3.7044 3.8490 3.8946 k = 0.4961 0.5014-0.0078 ( 14330 PWs) bands (ev): -18.4903 -18.4900 -18.4839 -18.4836 -18.4683 -18.4682 -18.4604 -18.4604 -16.0343 -16.0337 -16.0315 -16.0309 -15.9249 -15.9246 -15.9135 -15.9132 -15.8716 -15.8715 -15.8655 -15.8654 -12.1273 -12.1271 -12.0881 -12.0880 -7.7031 -7.7021 -7.6865 -7.6864 -5.4523 -5.4493 -5.3597 -5.3532 -4.0901 -4.0864 -4.0539 -4.0528 -2.5102 -2.5101 -2.4190 -2.4189 2.3828 2.4108 2.5256 2.5555 3.6825 3.7027 3.8526 3.8916 k = 0.4968 0.5021 0.0034 ( 14329 PWs) bands (ev): -18.4903 -18.4900 -18.4838 -18.4836 -18.4683 -18.4682 -18.4604 -18.4604 -16.0343 -16.0338 -16.0315 -16.0310 -15.9249 -15.9246 -15.9135 -15.9132 -15.8716 -15.8716 -15.8655 -15.8654 -12.1273 -12.1271 -12.0880 -12.0879 -7.7028 -7.7019 -7.6863 -7.6863 -5.4525 -5.4500 -5.3592 -5.3538 -4.0901 -4.0870 -4.0541 -4.0531 -2.5103 -2.5102 -2.4189 -2.4188 2.3854 2.4086 2.5283 2.5531 3.6842 3.7009 3.8562 3.8886 k = 0.4975 0.5027 0.0146 ( 14339 PWs) bands (ev): -18.4902 -18.4900 -18.4838 -18.4836 -18.4683 -18.4682 -18.4604 -18.4604 -16.0342 -16.0338 -16.0314 -16.0310 -15.9248 -15.9246 -15.9134 -15.9132 -15.8716 -15.8716 -15.8655 -15.8654 -12.1272 -12.1272 -12.0879 -12.0878 -7.7025 -7.7018 -7.6862 -7.6862 -5.4526 -5.4506 -5.3587 -5.3544 -4.0900 -4.0876 -4.0542 -4.0534 -2.5103 -2.5103 -2.4188 -2.4187 2.3879 2.4063 2.5310 2.5506 3.6860 3.6992 3.8597 3.8854 k = 0.4981 0.5034 0.0258 ( 14336 PWs) bands (ev): -18.4902 -18.4901 -18.4838 -18.4837 -18.4683 -18.4682 -18.4604 -18.4604 -16.0341 -16.0339 -16.0314 -16.0311 -15.9248 -15.9247 -15.9134 -15.9133 -15.8716 -15.8716 -15.8654 -15.8654 -12.1272 -12.1272 -12.0878 -12.0877 -7.7023 -7.7018 -7.6861 -7.6861 -5.4526 -5.4511 -5.3582 -5.3550 -4.0899 -4.0881 -4.0542 -4.0536 -2.5103 -2.5103 -2.4187 -2.4186 2.3904 2.4040 2.5337 2.5481 3.6877 3.6975 3.8632 3.8822 k = 0.4981 0.5034 0.0258 ( 14336 PWs) bands (ev): -18.4902 -18.4901 -18.4838 -18.4837 -18.4683 -18.4682 -18.4604 -18.4604 -16.0341 -16.0339 -16.0314 -16.0311 -15.9248 -15.9247 -15.9134 -15.9133 -15.8716 -15.8716 -15.8654 -15.8654 -12.1272 -12.1272 -12.0878 -12.0877 -7.7023 -7.7018 -7.6861 -7.6861 -5.4526 -5.4511 -5.3582 -5.3550 -4.0899 -4.0881 -4.0542 -4.0536 -2.5103 -2.5103 -2.4187 -2.4186 2.3904 2.4040 2.5337 2.5481 3.6877 3.6975 3.8632 3.8822 k = 0.4968 0.5021 0.0379 ( 14340 PWs) bands (ev): -18.4903 -18.4900 -18.4838 -18.4836 -18.4683 -18.4682 -18.4604 -18.4604 -16.0343 -16.0338 -16.0315 -16.0310 -15.9249 -15.9246 -15.9135 -15.9132 -15.8716 -15.8716 -15.8655 -15.8654 -12.1273 -12.1271 -12.0880 -12.0879 -7.7028 -7.7019 -7.6863 -7.6863 -5.4525 -5.4500 -5.3592 -5.3538 -4.0901 -4.0870 -4.0541 -4.0531 -2.5103 -2.5102 -2.4189 -2.4188 2.3854 2.4086 2.5283 2.5531 3.6842 3.7009 3.8562 3.8886 k = 0.4955 0.5007 0.0499 ( 14338 PWs) bands (ev): -18.4903 -18.4900 -18.4839 -18.4835 -18.4683 -18.4682 -18.4604 -18.4604 -16.0344 -16.0337 -16.0315 -16.0308 -15.9249 -15.9245 -15.9135 -15.9132 -15.8717 -15.8715 -15.8655 -15.8654 -12.1273 -12.1271 -12.0883 -12.0881 -7.7035 -7.7023 -7.6866 -7.6865 -5.4520 -5.4485 -5.3603 -5.3526 -4.0900 -4.0858 -4.0536 -4.0524 -2.5102 -2.5101 -2.4192 -2.4191 2.3802 2.4130 2.5228 2.5579 3.6808 3.7044 3.8490 3.8946 k = 0.4941 0.4994 0.0620 ( 14342 PWs) bands (ev): -18.4904 -18.4899 -18.4839 -18.4835 -18.4683 -18.4682 -18.4604 -18.4603 -16.0345 -16.0336 -16.0315 -16.0307 -15.9250 -15.9245 -15.9136 -15.9131 -15.8717 -15.8715 -15.8655 -15.8654 -12.1273 -12.1271 -12.0887 -12.0884 -7.7044 -7.7028 -7.6870 -7.6869 -5.4513 -5.4467 -5.3612 -5.3513 -4.0897 -4.0844 -4.0529 -4.0515 -2.5101 -2.5099 -2.4195 -2.4194 2.3749 2.4173 2.5173 2.5626 3.6773 3.7078 3.8418 3.9004 k = 0.4928 0.4980 0.0740 ( 14343 PWs) bands (ev): -18.4904 -18.4898 -18.4840 -18.4834 -18.4683 -18.4682 -18.4604 -18.4603 -16.0346 -16.0336 -16.0315 -16.0305 -15.9250 -15.9244 -15.9136 -15.9131 -15.8717 -15.8715 -15.8655 -15.8654 -12.1273 -12.1271 -12.0891 -12.0889 -7.7054 -7.7035 -7.6875 -7.6873 -5.4502 -5.4446 -5.3622 -5.3500 -4.0891 -4.0830 -4.0519 -4.0505 -2.5099 -2.5097 -2.4200 -2.4198 2.3695 2.4215 2.5116 2.5671 3.6739 3.7113 3.8344 3.9059 k = 0.4914 0.4967 0.0861 ( 14343 PWs) bands (ev): -18.4905 -18.4898 -18.4840 -18.4834 -18.4683 -18.4682 -18.4605 -18.4603 -16.0347 -16.0336 -16.0315 -16.0304 -15.9251 -15.9244 -15.9137 -15.9130 -15.8717 -15.8715 -15.8656 -15.8653 -12.1274 -12.1271 -12.0897 -12.0894 -7.7066 -7.7044 -7.6881 -7.6879 -5.4487 -5.4422 -5.3631 -5.3487 -4.0883 -4.0815 -4.0506 -4.0493 -2.5097 -2.5094 -2.4206 -2.4204 2.3640 2.4255 2.5059 2.5716 3.6705 3.7147 3.8271 3.9109 k = 0.4914 0.4967 0.0861 ( 14343 PWs) bands (ev): -18.4905 -18.4898 -18.4840 -18.4834 -18.4683 -18.4682 -18.4605 -18.4603 -16.0347 -16.0336 -16.0315 -16.0304 -15.9251 -15.9244 -15.9137 -15.9130 -15.8717 -15.8715 -15.8656 -15.8653 -12.1274 -12.1271 -12.0897 -12.0894 -7.7066 -7.7044 -7.6881 -7.6879 -5.4487 -5.4422 -5.3631 -5.3487 -4.0883 -4.0815 -4.0506 -4.0493 -2.5097 -2.5094 -2.4206 -2.4204 2.3640 2.4255 2.5059 2.5716 3.6705 3.7147 3.8271 3.9109 k = 0.4823 0.4875 0.0861 ( 14352 PWs) bands (ev): -18.4908 -18.4894 -18.4843 -18.4829 -18.4684 -18.4682 -18.4605 -18.4603 -16.0352 -16.0337 -16.0306 -16.0290 -15.9255 -15.9240 -15.9141 -15.9127 -15.8720 -15.8715 -15.8658 -15.8653 -12.1276 -12.1269 -12.0960 -12.0952 -7.7197 -7.7152 -7.6943 -7.6940 -5.4304 -5.4175 -5.3674 -5.3392 -4.0762 -4.0729 -4.0364 -4.0286 -2.5072 -2.5067 -2.4269 -2.4264 2.3235 2.4427 2.4711 2.5986 3.6475 3.7357 3.7782 3.9322 k = 0.4732 0.4783 0.0861 ( 14349 PWs) bands (ev): -18.4910 -18.4889 -18.4845 -18.4824 -18.4685 -18.4681 -18.4606 -18.4602 -16.0355 -16.0340 -16.0291 -16.0275 -15.9259 -15.9237 -15.9145 -15.9124 -15.8723 -15.8716 -15.8661 -15.8654 -12.1282 -12.1268 -12.1064 -12.1049 -7.7404 -7.7340 -7.7045 -7.7042 -5.3975 -5.3863 -5.3611 -5.3288 -4.0673 -4.0579 -4.0102 -3.9860 -2.5032 -2.5025 -2.4373 -2.4364 2.2776 2.4060 2.4798 2.6200 3.6253 3.7186 3.7676 3.9305 k = 0.4641 0.4691 0.0861 ( 14348 PWs) bands (ev): -18.4912 -18.4885 -18.4846 -18.4818 -18.4686 -18.4681 -18.4607 -18.4601 -16.0355 -16.0341 -16.0272 -16.0256 -15.9263 -15.9233 -15.9149 -15.9122 -15.8727 -15.8718 -15.8665 -15.8656 -12.1306 -12.1272 -12.1204 -12.1169 -7.7682 -7.7602 -7.7178 -7.7176 -5.3779 -5.3515 -5.3168 -5.3152 -4.0609 -4.0396 -3.9653 -3.9272 -2.4983 -2.4972 -2.4510 -2.4494 2.2263 2.3512 2.4965 2.6359 3.6040 3.6722 3.7870 3.9177 k = 0.4550 0.4599 0.0861 ( 14338 PWs) bands (ev): -18.4914 -18.4880 -18.4846 -18.4812 -18.4687 -18.4681 -18.4608 -18.4601 -16.0353 -16.0340 -16.0250 -16.0236 -15.9268 -15.9230 -15.9153 -15.9119 -15.8732 -15.8720 -15.8670 -15.8658 -12.1422 -12.1402 -12.1258 -12.1237 -7.8023 -7.7930 -7.7336 -7.7335 -5.3746 -5.3101 -5.2864 -5.2480 -4.0526 -4.0210 -3.9027 -3.8545 -2.4959 -2.4938 -2.4650 -2.4618 2.1696 2.2895 2.5104 2.6470 3.5835 3.6272 3.8056 3.9037 k = 0.4459 0.4507 0.0861 ( 14335 PWs) bands (ev): -18.4915 -18.4875 -18.4846 -18.4805 -18.4688 -18.4681 -18.4609 -18.4601 -16.0348 -16.0337 -16.0226 -16.0214 -15.9272 -15.9227 -15.9158 -15.9117 -15.8738 -15.8724 -15.8676 -15.8661 -12.1633 -12.1626 -12.1259 -12.1251 -7.8418 -7.8316 -7.7510 -7.7509 -5.3691 -5.2949 -5.2172 -5.1675 -4.0422 -4.0005 -3.8253 -3.7697 -2.5061 -2.5036 -2.4676 -2.4636 2.1073 2.2219 2.5215 2.6537 3.5636 3.5851 3.8214 3.8924 k = 0.4368 0.4415 0.0861 ( 14326 PWs) bands (ev): -18.4916 -18.4870 -18.4845 -18.4798 -18.4689 -18.4681 -18.4610 -18.4600 -16.0339 -16.0331 -16.0200 -16.0190 -15.9276 -15.9224 -15.9163 -15.9115 -15.8745 -15.8728 -15.8682 -15.8665 -12.1891 -12.1888 -12.1258 -12.1255 -7.8857 -7.8751 -7.7693 -7.7690 -5.3606 -5.2803 -5.1356 -5.0754 -4.0296 -3.9774 -3.7350 -3.6740 -2.5284 -2.5265 -2.4585 -2.4548 2.0398 2.1488 2.5300 2.6572 3.5437 3.5457 3.8341 3.8852 k = 0.4277 0.4323 0.0861 ( 14329 PWs) bands (ev): -18.4917 -18.4865 -18.4843 -18.4790 -18.4691 -18.4681 -18.4611 -18.4600 -16.0329 -16.0323 -16.0172 -16.0164 -15.9281 -15.9221 -15.9168 -15.9113 -15.8753 -15.8733 -15.8690 -15.8670 -12.2190 -12.2186 -12.1260 -12.1256 -7.9332 -7.9223 -7.7874 -7.7869 -5.3490 -5.2644 -5.0449 -4.9731 -4.0147 -3.9510 -3.6337 -3.5690 -2.5562 -2.5544 -2.4452 -2.4415 1.9671 2.0706 2.5367 2.6582 3.5080 3.5229 3.8443 3.8822 k = 0.4186 0.4231 0.0861 ( 14328 PWs) bands (ev): -18.4917 -18.4859 -18.4841 -18.4782 -18.4692 -18.4682 -18.4612 -18.4600 -16.0315 -16.0313 -16.0141 -16.0137 -15.9285 -15.9219 -15.9173 -15.9112 -15.8761 -15.8738 -15.8698 -15.8675 -12.2523 -12.2518 -12.1263 -12.1257 -7.9833 -7.9725 -7.8048 -7.8039 -5.3342 -5.2469 -4.9465 -4.8614 -3.9977 -3.9211 -3.5232 -3.4561 -2.5870 -2.5849 -2.4295 -2.4256 1.8898 1.9879 2.5421 2.6578 3.4710 3.5002 3.8526 3.8834 k = 0.4095 0.4139 0.0861 ( 14328 PWs) bands (ev): -18.4916 -18.4854 -18.4838 -18.4774 -18.4694 -18.4682 -18.4612 -18.4600 -16.0300 -16.0299 -16.0110 -16.0109 -15.9289 -15.9216 -15.9178 -15.9110 -15.8770 -15.8745 -15.8707 -15.8681 -12.2889 -12.2882 -12.1268 -12.1259 -8.0351 -8.0246 -7.8206 -7.8195 -5.3164 -5.2274 -4.8420 -4.7415 -3.9785 -3.8870 -3.4056 -3.3371 -2.6193 -2.6165 -2.4116 -2.4076 1.8083 1.9015 2.5465 2.6567 3.4332 3.4744 3.8595 3.8882 k = 0.4004 0.4047 0.0861 ( 14326 PWs) bands (ev): -18.4915 -18.4849 -18.4835 -18.4766 -18.4696 -18.4682 -18.4613 -18.4600 -16.0286 -16.0280 -16.0081 -16.0076 -15.9293 -15.9214 -15.9183 -15.9109 -15.8780 -15.8752 -15.8716 -15.8688 -12.3285 -12.3277 -12.1275 -12.1263 -8.0878 -8.0777 -7.8344 -7.8330 -5.2957 -5.2059 -4.7331 -4.6142 -3.9573 -3.8484 -3.2836 -3.2146 -2.6508 -2.6472 -2.3919 -2.3876 1.7233 1.8120 2.5504 2.6554 3.3933 3.4441 3.8655 3.8964 k = 0.3913 0.3955 0.0861 ( 14329 PWs) bands (ev): -18.4914 -18.4844 -18.4832 -18.4757 -18.4698 -18.4683 -18.4614 -18.4600 -16.0270 -16.0259 -16.0051 -16.0041 -15.9297 -15.9211 -15.9188 -15.9108 -15.8790 -15.8759 -15.8727 -15.8696 -12.3707 -12.3699 -12.1284 -12.1269 -8.1405 -8.1311 -7.8457 -7.8440 -5.2721 -5.1822 -4.6215 -4.4806 -3.9340 -3.8045 -3.1616 -3.0938 -2.6770 -2.6729 -2.3703 -2.3659 1.6355 1.7202 2.5538 2.6544 3.3497 3.4081 3.8706 3.9075 k = 0.3822 0.3863 0.0861 ( 14324 PWs) bands (ev): -18.4913 -18.4838 -18.4828 -18.4749 -18.4700 -18.4684 -18.4615 -18.4600 -16.0252 -16.0237 -16.0021 -16.0005 -15.9301 -15.9209 -15.9193 -15.9107 -15.8801 -15.8768 -15.8738 -15.8704 -12.4155 -12.4145 -12.1296 -12.1279 -8.1927 -8.1840 -7.8542 -7.8522 -5.2458 -5.1565 -4.5093 -4.3416 -3.9088 -3.7547 -3.0498 -2.9880 -2.6849 -2.6839 -2.3470 -2.3424 1.5457 1.6269 2.5569 2.6537 3.3011 3.3651 3.8746 3.9208 k = 0.3731 0.3771 0.0861 ( 14349 PWs) bands (ev): -18.4911 -18.4833 -18.4824 -18.4740 -18.4702 -18.4684 -18.4615 -18.4600 -16.0233 -16.0212 -15.9991 -15.9967 -15.9304 -15.9207 -15.9197 -15.9106 -15.8813 -15.8776 -15.8749 -15.8712 -12.4624 -12.4614 -12.1311 -12.1291 -8.2438 -8.2358 -7.8595 -7.8573 -5.2169 -5.1285 -4.3987 -4.1985 -3.8814 -3.6981 -2.9699 -2.9267 -2.6587 -2.6451 -2.3218 -2.3172 1.4546 1.5330 2.5592 2.6533 3.2463 3.3138 3.8767 3.9358 k = 0.3640 0.3679 0.0861 ( 14352 PWs) bands (ev): -18.4909 -18.4827 -18.4821 -18.4732 -18.4704 -18.4685 -18.4616 -18.4601 -16.0212 -16.0186 -15.9961 -15.9929 -15.9306 -15.9207 -15.9199 -15.9105 -15.8825 -15.8786 -15.8762 -15.8722 -12.5113 -12.5103 -12.1330 -12.1307 -8.2930 -8.2859 -7.8615 -7.8591 -5.1856 -5.0985 -4.2920 -4.0533 -3.8512 -3.6346 -2.9402 -2.9211 -2.5783 -2.5470 -2.2947 -2.2904 1.3633 1.4392 2.5605 2.6529 3.1846 3.2533 3.8761 3.9514 k = 0.3549 0.3587 0.0861 ( 14349 PWs) bands (ev): -18.4907 -18.4822 -18.4817 -18.4723 -18.4706 -18.4686 -18.4617 -18.4601 -16.0191 -16.0159 -15.9931 -15.9891 -15.9308 -15.9210 -15.9199 -15.9103 -15.8837 -15.8796 -15.8774 -15.8731 -12.5619 -12.5608 -12.1354 -12.1328 -8.3401 -8.3338 -7.8600 -7.8575 -5.1520 -5.0663 -4.1914 -3.9128 -3.8130 -3.5654 -2.9432 -2.9425 -2.4598 -2.4189 -2.2651 -2.2618 1.2725 1.3465 2.5599 2.6520 3.1159 3.1833 3.8713 3.9652 k = 0.3458 0.3495 0.0861 ( 14348 PWs) bands (ev): -18.4905 -18.4818 -18.4812 -18.4716 -18.4707 -18.4687 -18.4617 -18.4602 -16.0170 -16.0131 -15.9901 -15.9851 -15.9309 -15.9214 -15.9197 -15.9102 -15.8850 -15.8806 -15.8787 -15.8742 -12.6139 -12.6128 -12.1383 -12.1354 -8.3844 -8.3790 -7.8550 -7.8523 -5.1162 -5.0321 -4.0984 -3.8189 -3.7277 -3.4943 -2.9715 -2.9517 -2.3294 -2.2820 -2.2297 -2.2290 1.1834 1.2560 2.5562 2.6496 3.0406 3.1039 3.8608 3.9470 k = 0.3367 0.3403 0.0861 ( 14347 PWs) bands (ev): -18.4903 -18.4815 -18.4807 -18.4713 -18.4704 -18.4688 -18.4617 -18.4602 -16.0148 -16.0102 -15.9871 -15.9812 -15.9310 -15.9218 -15.9195 -15.9101 -15.8863 -15.8817 -15.8800 -15.8752 -12.6671 -12.6659 -12.1417 -12.1384 -8.4258 -8.4211 -7.8463 -7.8436 -5.0784 -4.9960 -4.0136 -3.7776 -3.5939 -3.4306 -2.9966 -2.9483 -2.2319 -2.2058 -2.1526 -2.1322 1.0971 1.1689 2.5475 2.6445 2.9604 3.0165 3.8426 3.9048 k = 0.3276 0.3311 0.0861 ( 14354 PWs) bands (ev): -18.4900 -18.4812 -18.4801 -18.4715 -18.4697 -18.4689 -18.4618 -18.4603 -16.0126 -16.0074 -15.9842 -15.9772 -15.9309 -15.9222 -15.9192 -15.9099 -15.8876 -15.8829 -15.8814 -15.8763 -12.7211 -12.7199 -12.1456 -12.1421 -8.4637 -8.4599 -7.8339 -7.8312 -5.0387 -4.9580 -3.9365 -3.7450 -3.4659 -3.3876 -3.0060 -2.9164 -2.1886 -2.1724 -2.0201 -1.9916 1.0152 1.0865 2.5303 2.6343 2.8787 2.9237 3.8143 3.8572 k = 0.3185 0.3219 0.0861 ( 14361 PWs) bands (ev): -18.4898 -18.4811 -18.4795 -18.4717 -18.4691 -18.4689 -18.4618 -18.4604 -16.0105 -16.0047 -15.9813 -15.9732 -15.9308 -15.9225 -15.9189 -15.9097 -15.8890 -15.8841 -15.8827 -15.8775 -12.7758 -12.7746 -12.1502 -12.1463 -8.4980 -8.4949 -7.8179 -7.8152 -4.9972 -4.9183 -3.8662 -3.7152 -3.3740 -3.3699 -2.9790 -2.8474 -2.1538 -2.1392 -1.8810 -1.8535 0.9392 1.0106 2.4997 2.6137 2.8009 2.8312 3.7727 3.8022 k = 0.3094 0.3127 0.0861 ( 14368 PWs) bands (ev): -18.4895 -18.4810 -18.4789 -18.4720 -18.4692 -18.4682 -18.4618 -18.4605 -16.0085 -16.0022 -15.9784 -15.9692 -15.9306 -15.9229 -15.9186 -15.9095 -15.8903 -15.8854 -15.8839 -15.8786 -12.8309 -12.8297 -12.1554 -12.1512 -8.5284 -8.5260 -7.7983 -7.7956 -4.9541 -4.8769 -3.8014 -3.6887 -3.3857 -3.3240 -2.8971 -2.7463 -2.1201 -2.1055 -1.7461 -1.7220 0.8714 0.9432 2.4497 2.5724 2.7333 2.7504 3.7160 3.7369 k = 0.3003 0.3035 0.0861 ( 14381 PWs) bands (ev): -18.4893 -18.4809 -18.4782 -18.4723 -18.4693 -18.4675 -18.4618 -18.4606 -16.0066 -15.9999 -15.9755 -15.9652 -15.9303 -15.9232 -15.9183 -15.9093 -15.8917 -15.8868 -15.8850 -15.8798 -12.8862 -12.8849 -12.1612 -12.1566 -8.5547 -8.5530 -7.7751 -7.7725 -4.9094 -4.8341 -3.7413 -3.6673 -3.4129 -3.3151 -2.7720 -2.6242 -2.0864 -2.0712 -1.6201 -1.6004 0.8141 0.8865 2.3780 2.4993 2.6788 2.6927 3.6454 3.6614 k = 0.2912 0.2943 0.0861 ( 14382 PWs) bands (ev): -18.4891 -18.4809 -18.4776 -18.4725 -18.4695 -18.4669 -18.4618 -18.4607 -16.0048 -15.9979 -15.9724 -15.9613 -15.9299 -15.9235 -15.9180 -15.9090 -15.8930 -15.8882 -15.8861 -15.8810 -12.9414 -12.9401 -12.1676 -12.1628 -8.5768 -8.5757 -7.7484 -7.7459 -4.8634 -4.7898 -3.6862 -3.6538 -3.4472 -3.3187 -2.6262 -2.4899 -2.0526 -2.0363 -1.5069 -1.4921 0.7701 0.8433 2.2894 2.4022 2.6334 2.6515 3.5660 3.5788 k = 0.2821 0.2851 0.0861 ( 14377 PWs) bands (ev): -18.4889 -18.4810 -18.4770 -18.4728 -18.4696 -18.4663 -18.4618 -18.4608 -16.0032 -15.9962 -15.9694 -15.9575 -15.9296 -15.9238 -15.9177 -15.9087 -15.8943 -15.8897 -15.8871 -15.8821 -12.9965 -12.9951 -12.1747 -12.1695 -8.5945 -8.5940 -7.7183 -7.7159 -4.8162 -4.7444 -3.6512 -3.6390 -3.4805 -3.3198 -2.4730 -2.3494 -2.0188 -2.0008 -1.4104 -1.4008 0.7421 0.8157 2.1917 2.2953 2.5906 2.6135 3.4835 3.4937 k = 0.2730 0.2759 0.0861 ( 14387 PWs) bands (ev): -18.4887 -18.4810 -18.4764 -18.4731 -18.4698 -18.4657 -18.4618 -18.4609 -16.0018 -15.9950 -15.9662 -15.9537 -15.9292 -15.9241 -15.9174 -15.9085 -15.8955 -15.8913 -15.8879 -15.8833 -13.0510 -13.0496 -12.1824 -12.1770 -8.6079 -8.6078 -7.6847 -7.6825 -4.7681 -4.6978 -3.6610 -3.6135 -3.4962 -3.3119 -2.3195 -2.2079 -1.9842 -1.9641 -1.3340 -1.3292 0.7321 0.8053 2.0918 2.1874 2.5456 2.5721 3.4028 3.4107 k = 0.2639 0.2667 0.0861 ( 14384 PWs) bands (ev): -18.4885 -18.4812 -18.4758 -18.4734 -18.4700 -18.4652 -18.4618 -18.4611 -16.0005 -15.9940 -15.9629 -15.9500 -15.9288 -15.9243 -15.9172 -15.9082 -15.8967 -15.8928 -15.8887 -15.8843 -13.1050 -13.1035 -12.1907 -12.1850 -8.6170 -8.6167 -7.6480 -7.6459 -4.7191 -4.6505 -3.6819 -3.6281 -3.4741 -3.2938 -2.1725 -2.0731 -1.9449 -1.9239 -1.2798 -1.2791 0.7405 0.8117 1.9955 2.0840 2.4960 2.5248 3.3270 3.3328 k = 0.2548 0.2575 0.0861 ( 14382 PWs) bands (ev): -18.4883 -18.4813 -18.4752 -18.4737 -18.4702 -18.4648 -18.4619 -18.4612 -15.9995 -15.9935 -15.9596 -15.9465 -15.9284 -15.9245 -15.9170 -15.9081 -15.8977 -15.8943 -15.8892 -15.8852 -13.1582 -13.1566 -12.1996 -12.1936 -8.6218 -8.6211 -7.6081 -7.6062 -4.6695 -4.6024 -3.7109 -3.6648 -3.4308 -3.2674 -2.0453 -1.9746 -1.8749 -1.8705 -1.2506 -1.2482 0.7647 0.8317 1.9088 1.9904 2.4420 2.4721 3.2581 3.2621 k = 0.2457 0.2483 0.0861 ( 14380 PWs) bands (ev): -18.4882 -18.4816 -18.4747 -18.4740 -18.4704 -18.4644 -18.4619 -18.4614 -15.9988 -15.9933 -15.9563 -15.9432 -15.9281 -15.9247 -15.9169 -15.9081 -15.8986 -15.8958 -15.8896 -15.8861 -13.2104 -13.2088 -12.2089 -12.2027 -8.6221 -8.6211 -7.5651 -7.5635 -4.6196 -4.5540 -3.7449 -3.7075 -3.3817 -3.2350 -1.9622 -1.9326 -1.7838 -1.7581 -1.2412 -1.2370 0.7989 0.8586 1.8387 1.9125 2.3851 2.4159 3.1965 3.1993 k = 0.2366 0.2391 0.0861 ( 14394 PWs) bands (ev): -18.4881 -18.4818 -18.4744 -18.4741 -18.4706 -18.4640 -18.4619 -18.4615 -15.9982 -15.9934 -15.9530 -15.9401 -15.9278 -15.9247 -15.9168 -15.9082 -15.8993 -15.8973 -15.8898 -15.8867 -13.2615 -13.2598 -12.2187 -12.2123 -8.6179 -8.6166 -7.5193 -7.5178 -4.5698 -4.5056 -3.7815 -3.7513 -3.3310 -3.1986 -1.9228 -1.9121 -1.6692 -1.6342 -1.2464 -1.2419 0.8334 0.8822 1.7938 1.8576 2.3287 2.3600 3.1419 3.1440 k = 0.2275 0.2299 0.0861 ( 14383 PWs) bands (ev): -18.4880 -18.4821 -18.4746 -18.4737 -18.4708 -18.4638 -18.4620 -18.4617 -15.9979 -15.9938 -15.9498 -15.9373 -15.9276 -15.9246 -15.9169 -15.9086 -15.8999 -15.8987 -15.8899 -15.8871 -13.3114 -13.3097 -12.2289 -12.2224 -8.6094 -8.6080 -7.4706 -7.4694 -4.5204 -4.4575 -3.8186 -3.7944 -3.2798 -3.1596 -1.9076 -1.9043 -1.5524 -1.5179 -1.2598 -1.2568 0.8574 0.8917 1.7813 1.8327 2.2772 2.3093 3.0937 3.0956 k = 0.2184 0.2207 0.0861 ( 14389 PWs) bands (ev): -18.4880 -18.4824 -18.4748 -18.4733 -18.4711 -18.4635 -18.4620 -18.4619 -15.9978 -15.9944 -15.9467 -15.9351 -15.9274 -15.9242 -15.9171 -15.9092 -15.9003 -15.9001 -15.8897 -15.8873 -13.3600 -13.3582 -12.2395 -12.2328 -8.5967 -8.5951 -7.4194 -7.4184 -4.4720 -4.4104 -3.8550 -3.8356 -3.2288 -3.1189 -1.9106 -1.9103 -1.4476 -1.4146 -1.2749 -1.2729 0.8623 0.8806 1.8029 1.8403 2.2363 2.2704 3.0513 3.0535 k = 0.2093 0.2115 0.0861 ( 14394 PWs) bands (ev): -18.4879 -18.4827 -18.4751 -18.4729 -18.4713 -18.4634 -18.4621 -18.4620 -15.9979 -15.9952 -15.9438 -15.9335 -15.9274 -15.9233 -15.9174 -15.9100 -15.9014 -15.9007 -15.8893 -15.8872 -13.4071 -13.4052 -12.2503 -12.2435 -8.5799 -8.5782 -7.3657 -7.3649 -4.4254 -4.3650 -3.8891 -3.8738 -3.1781 -3.0773 -1.9326 -1.9319 -1.3680 -1.3315 -1.2863 -1.2728 0.8465 0.8504 1.8502 1.8739 2.2141 2.2519 3.0142 3.0178 k = 0.2002 0.2023 0.0861 ( 14395 PWs) bands (ev): -18.4879 -18.4830 -18.4753 -18.4725 -18.4716 -18.4633 -18.4622 -18.4622 -15.9982 -15.9962 -15.9411 -15.9326 -15.9273 -15.9221 -15.9178 -15.9108 -15.9026 -15.9011 -15.8887 -15.8868 -13.4527 -13.4507 -12.2613 -12.2545 -8.5592 -8.5576 -7.3097 -7.3091 -4.3819 -4.3226 -3.9195 -3.9077 -3.1280 -3.0352 -1.9726 -1.9723 -1.3322 -1.3075 -1.2512 -1.2408 0.8073 0.8144 1.9066 1.9179 2.2207 2.2642 2.9829 2.9894 k = 0.1911 0.1931 0.0861 ( 14405 PWs) bands (ev): -18.4879 -18.4834 -18.4756 -18.4722 -18.4718 -18.4633 -18.4623 -18.4623 -15.9987 -15.9973 -15.9386 -15.9322 -15.9273 -15.9206 -15.9182 -15.9118 -15.9037 -15.9014 -15.8879 -15.8863 -13.4966 -13.4946 -12.2724 -12.2655 -8.5350 -8.5333 -7.2516 -7.2513 -4.3429 -4.2852 -3.9443 -3.9352 -3.0787 -2.9930 -2.0305 -2.0296 -1.3190 -1.3064 -1.2063 -1.1997 0.7582 0.7729 1.9564 1.9581 2.2640 2.3125 2.9588 2.9708 k = 0.1820 0.1839 0.0861 ( 14400 PWs) bands (ev): -18.4880 -18.4837 -18.4758 -18.4721 -18.4719 -18.4634 -18.4624 -18.4624 -15.9993 -15.9985 -15.9365 -15.9323 -15.9272 -15.9193 -15.9185 -15.9127 -15.9045 -15.9017 -15.8870 -15.8855 -13.5388 -13.5367 -12.2835 -12.2767 -8.5073 -8.5056 -7.1917 -7.1916 -4.3110 -4.2555 -3.9610 -3.9535 -3.0304 -2.9512 -2.1036 -2.1013 -1.3060 -1.3004 -1.1815 -1.1746 0.7081 0.7274 1.9935 1.9983 2.3369 2.3862 2.9446 2.9669 k = 0.1729 0.1747 0.0861 ( 14403 PWs) bands (ev): -18.4880 -18.4841 -18.4760 -18.4723 -18.4716 -18.4635 -18.4626 -18.4625 -16.0001 -15.9999 -15.9349 -15.9325 -15.9271 -15.9194 -15.9178 -15.9137 -15.9051 -15.9020 -15.8860 -15.8846 -13.5792 -13.5770 -12.2946 -12.2878 -8.4764 -8.4749 -7.1303 -7.1301 -4.2886 -4.2370 -3.9670 -3.9593 -2.9832 -2.9100 -2.1882 -2.1845 -1.2922 -1.2909 -1.1760 -1.1698 0.6595 0.6812 2.0320 2.0414 2.4205 2.4638 2.9451 2.9861 k = 0.1638 0.1656 0.0861 ( 14403 PWs) bands (ev): -18.4881 -18.4845 -18.4762 -18.4726 -18.4714 -18.4637 -18.4627 -18.4626 -16.0013 -16.0010 -15.9337 -15.9329 -15.9268 -15.9199 -15.9170 -15.9147 -15.9053 -15.9021 -15.8850 -15.8836 -13.6177 -13.6155 -12.3055 -12.2989 -8.4428 -8.4413 -7.0676 -7.0672 -4.2775 -4.2313 -3.9606 -3.9509 -2.9374 -2.8697 -2.2808 -2.2759 -1.2903 -1.2794 -1.1818 -1.1805 0.6135 0.6361 2.0795 2.0928 2.4963 2.5249 2.9668 3.0370 k = 0.1547 0.1564 0.0861 ( 14412 PWs) bands (ev): -18.4882 -18.4849 -18.4764 -18.4729 -18.4712 -18.4639 -18.4628 -18.4627 -16.0028 -16.0021 -15.9334 -15.9330 -15.9264 -15.9204 -15.9167 -15.9156 -15.9050 -15.9021 -15.8838 -15.8826 -13.6543 -13.6521 -12.3163 -12.3097 -8.4066 -8.4053 -7.0039 -7.0033 -4.2771 -4.2369 -3.9424 -3.9302 -2.8931 -2.8306 -2.3789 -2.3727 -1.3099 -1.2884 -1.1886 -1.1827 0.5699 0.5924 2.1375 2.1538 2.5537 2.5617 3.0139 3.1194 k = 0.1456 0.1472 0.0861 ( 14408 PWs) bands (ev): -18.4883 -18.4853 -18.4766 -18.4731 -18.4710 -18.4642 -18.4629 -18.4628 -16.0043 -16.0032 -15.9339 -15.9327 -15.9260 -15.9210 -15.9168 -15.9165 -15.9045 -15.9020 -15.8826 -15.8815 -13.6889 -13.6867 -12.3268 -12.3204 -8.3683 -8.3671 -6.9394 -6.9387 -4.2845 -4.2497 -3.9155 -3.9012 -2.8506 -2.7930 -2.4799 -2.4726 -1.3578 -1.3324 -1.1775 -1.1700 0.5285 0.5502 2.2037 2.2207 2.5806 2.5941 3.0826 3.2215 k = 0.1365 0.1380 0.0861 ( 14393 PWs) bands (ev): -18.4884 -18.4856 -18.4768 -18.4734 -18.4708 -18.4644 -18.4631 -18.4629 -16.0058 -16.0044 -15.9344 -15.9326 -15.9256 -15.9215 -15.9174 -15.9172 -15.9037 -15.9018 -15.8814 -15.8804 -13.7216 -13.7194 -12.3369 -12.3308 -8.3282 -8.3272 -6.8746 -6.8738 -4.2965 -4.2660 -3.8830 -3.8677 -2.8103 -2.7572 -2.5821 -2.5736 -1.4261 -1.4003 -1.1554 -1.1492 0.4890 0.5095 2.2722 2.2855 2.5941 2.6296 3.1628 3.3102 k = 0.1274 0.1288 0.0861 ( 14397 PWs) bands (ev): -18.4886 -18.4860 -18.4769 -18.4737 -18.4707 -18.4647 -18.4632 -18.4630 -16.0073 -16.0057 -15.9349 -15.9328 -15.9253 -15.9220 -15.9183 -15.9179 -15.9028 -15.9014 -15.8802 -15.8793 -13.7522 -13.7500 -12.3466 -12.3407 -8.2868 -8.2860 -6.8099 -6.8090 -4.3105 -4.2834 -3.8478 -3.8325 -2.7730 -2.7249 -2.6825 -2.6734 -1.5073 -1.4818 -1.1299 -1.1250 0.4512 0.4704 2.3326 2.3373 2.6158 2.6748 3.2445 3.2758 k = 0.1183 0.1196 0.0861 ( 14404 PWs) bands (ev): -18.4887 -18.4864 -18.4770 -18.4740 -18.4706 -18.4650 -18.4633 -18.4632 -16.0087 -16.0070 -15.9354 -15.9331 -15.9251 -15.9225 -15.9191 -15.9186 -15.9020 -15.9010 -15.8791 -15.8783 -13.7807 -13.7786 -12.3559 -12.3503 -8.2446 -8.2439 -6.7458 -6.7447 -4.3248 -4.3005 -3.8118 -3.7973 -2.7857 -2.7793 -2.7303 -2.6903 -1.5964 -1.5715 -1.1035 -1.0997 0.4153 0.4330 2.3686 2.3731 2.6578 2.7371 3.2412 3.2436 k = 0.1092 0.1104 0.0861 ( 14403 PWs) bands (ev): -18.4888 -18.4868 -18.4771 -18.4742 -18.4705 -18.4653 -18.4634 -18.4633 -16.0101 -16.0083 -15.9359 -15.9335 -15.9251 -15.9230 -15.9198 -15.9193 -15.9012 -15.9005 -15.8779 -15.8772 -13.8072 -13.8051 -12.3647 -12.3594 -8.2020 -8.2014 -6.6827 -6.6816 -4.3382 -4.3162 -3.7765 -3.7633 -2.8822 -2.8719 -2.7004 -2.6619 -1.6900 -1.6657 -1.0774 -1.0745 0.3814 0.3976 2.3814 2.3904 2.7213 2.8121 3.2117 3.2170 k = 0.1001 0.1012 0.0861 ( 14399 PWs) bands (ev): -18.4890 -18.4871 -18.4772 -18.4745 -18.4703 -18.4656 -18.4636 -18.4634 -16.0115 -16.0096 -15.9364 -15.9339 -15.9251 -15.9234 -15.9205 -15.9201 -15.9004 -15.9001 -15.8768 -15.8762 -13.8315 -13.8295 -12.3729 -12.3679 -8.1595 -8.1591 -6.6212 -6.6200 -4.3502 -4.3300 -3.7429 -3.7316 -2.9747 -2.9630 -2.6709 -2.6362 -1.7849 -1.7612 -1.0524 -1.0501 0.3497 0.3645 2.3821 2.3918 2.7956 2.8870 3.1895 3.2006 k = 0.0910 0.0920 0.0861 ( 14407 PWs) bands (ev): -18.4891 -18.4874 -18.4773 -18.4748 -18.4702 -18.4659 -18.4637 -18.4636 -16.0128 -16.0109 -15.9368 -15.9344 -15.9252 -15.9238 -15.9212 -15.9209 -15.8998 -15.8996 -15.8758 -15.8753 -13.8537 -13.8519 -12.3805 -12.3759 -8.1178 -8.1176 -6.5619 -6.5607 -4.3602 -4.3417 -3.7120 -3.7031 -3.0615 -3.0485 -2.6447 -2.6141 -1.8784 -1.8555 -1.0288 -1.0271 0.3205 0.3338 2.3763 2.3851 2.8672 2.9472 3.1782 3.2010 k = 0.0819 0.0828 0.0861 ( 14404 PWs) bands (ev): -18.4892 -18.4878 -18.4774 -18.4751 -18.4701 -18.4662 -18.4638 -18.4637 -16.0139 -16.0121 -15.9371 -15.9348 -15.9254 -15.9242 -15.9218 -15.9216 -15.8992 -15.8991 -15.8748 -15.8744 -13.8738 -13.8721 -12.3875 -12.3833 -8.0774 -8.0773 -6.5054 -6.5043 -4.3680 -4.3510 -3.6849 -3.6787 -3.1411 -3.1268 -2.6229 -2.5963 -1.9681 -1.9459 -1.0069 -1.0056 0.2939 0.3058 2.3671 2.3748 2.9234 2.9807 3.1842 3.2238 k = 0.0728 0.0736 0.0861 ( 14419 PWs) bands (ev): -18.4893 -18.4881 -18.4774 -18.4753 -18.4700 -18.4665 -18.4639 -18.4638 -16.0150 -16.0133 -15.9375 -15.9353 -15.9255 -15.9245 -15.9224 -15.9222 -15.8987 -15.8987 -15.8739 -15.8736 -13.8918 -13.8902 -12.3938 -12.3900 -8.0390 -8.0389 -6.4525 -6.4514 -4.3736 -4.3581 -3.6627 -3.6594 -3.2118 -3.1963 -2.6062 -2.5836 -2.0512 -2.0299 -0.9870 -0.9860 0.2701 0.2807 2.3567 2.3631 2.9553 2.9898 3.2124 3.2635 k = 0.0637 0.0644 0.0861 ( 14431 PWs) bands (ev): -18.4894 -18.4883 -18.4774 -18.4756 -18.4699 -18.4668 -18.4640 -18.4639 -16.0160 -16.0143 -15.9377 -15.9357 -15.9257 -15.9248 -15.9229 -15.9228 -15.8984 -15.8983 -15.8732 -15.8729 -13.9077 -13.9062 -12.3994 -12.3960 -8.0031 -8.0030 -6.4037 -6.4028 -4.3770 -4.3631 -3.6468 -3.6466 -3.2717 -3.2551 -2.5958 -2.5772 -2.1250 -2.1048 -0.9692 -0.9685 0.2492 0.2584 2.3461 2.3515 2.9658 2.9858 3.2571 3.3071 k = 0.0546 0.0552 0.0861 ( 14434 PWs) bands (ev): -18.4895 -18.4886 -18.4774 -18.4758 -18.4698 -18.4671 -18.4641 -18.4640 -16.0168 -16.0153 -15.9379 -15.9361 -15.9259 -15.9251 -15.9234 -15.9234 -15.8980 -15.8980 -15.8725 -15.8723 -13.9214 -13.9201 -12.4043 -12.4013 -7.9704 -7.9703 -6.3598 -6.3590 -4.3785 -4.3661 -3.6410 -3.6387 -3.3189 -3.3019 -2.5930 -2.5781 -2.1868 -2.1680 -0.9537 -0.9531 0.2312 0.2391 2.3362 2.3406 2.9646 2.9767 3.3068 3.3469 k = 0.0455 0.0460 0.0861 ( 14432 PWs) bands (ev): -18.4896 -18.4888 -18.4774 -18.4760 -18.4697 -18.4674 -18.4641 -18.4641 -16.0175 -16.0162 -15.9380 -15.9365 -15.9260 -15.9253 -15.9239 -15.9238 -15.8978 -15.8977 -15.8719 -15.8717 -13.9330 -13.9319 -12.4084 -12.4059 -7.9415 -7.9414 -6.3214 -6.3207 -4.3783 -4.3676 -3.6429 -3.6389 -3.3523 -3.3359 -2.5981 -2.5866 -2.2346 -2.2176 -0.9405 -0.9400 0.2162 0.2227 2.3273 2.3308 2.9588 2.9666 3.3535 3.3805 k = 0.0364 0.0368 0.0861 ( 14438 PWs) bands (ev): -18.4896 -18.4890 -18.4773 -18.4763 -18.4695 -18.4677 -18.4642 -18.4642 -16.0181 -16.0170 -15.9381 -15.9369 -15.9261 -15.9255 -15.9243 -15.9242 -15.8976 -15.8975 -15.8714 -15.8713 -13.9424 -13.9415 -12.4117 -12.4097 -7.9169 -7.9168 -6.2891 -6.2885 -4.3769 -4.3681 -3.6506 -3.6462 -3.3728 -3.3584 -2.6101 -2.6014 -2.2679 -2.2535 -0.9296 -0.9293 0.2041 0.2093 2.3197 2.3224 2.9520 2.9571 3.3936 3.4080 k = 0.0273 0.0276 0.0861 ( 14432 PWs) bands (ev): -18.4896 -18.4892 -18.4773 -18.4765 -18.4693 -18.4680 -18.4642 -18.4642 -16.0185 -16.0177 -15.9382 -15.9372 -15.9262 -15.9257 -15.9246 -15.9245 -15.8974 -15.8973 -15.8710 -15.8709 -13.9497 -13.9491 -12.4142 -12.4127 -7.8972 -7.8971 -6.2633 -6.2629 -4.3748 -4.3681 -3.6612 -3.6574 -3.3833 -3.3719 -2.6256 -2.6194 -2.2886 -2.2774 -0.9212 -0.9210 0.1949 0.1987 2.3137 2.3157 2.9458 2.9491 3.4259 3.4302 k = 0.0182 0.0184 0.0861 ( 14435 PWs) bands (ev): -18.4896 -18.4893 -18.4772 -18.4766 -18.4692 -18.4683 -18.4643 -18.4643 -16.0187 -16.0182 -15.9381 -15.9375 -15.9262 -15.9259 -15.9248 -15.9247 -15.8973 -15.8972 -15.8707 -15.8707 -13.9549 -13.9545 -12.4160 -12.4150 -7.8828 -7.8827 -6.2446 -6.2443 -4.3726 -4.3680 -3.6712 -3.6686 -3.3873 -3.3796 -2.6404 -2.6363 -2.2999 -2.2923 -0.9151 -0.9150 0.1885 0.1910 2.3095 2.3108 2.9410 2.9430 3.4479 3.4506 k = 0.0091 0.0092 0.0861 ( 14429 PWs) bands (ev): -18.4896 -18.4894 -18.4771 -18.4768 -18.4690 -18.4685 -18.4643 -18.4643 -16.0188 -16.0185 -15.9380 -15.9377 -15.9261 -15.9260 -15.9249 -15.9248 -15.8972 -15.8972 -15.8705 -15.8705 -13.9580 -13.9578 -12.4170 -12.4165 -7.8740 -7.8740 -6.2332 -6.2331 -4.3705 -4.3682 -3.6780 -3.6767 -3.3879 -3.3840 -2.6505 -2.6485 -2.3047 -2.3008 -0.9115 -0.9114 0.1849 0.1862 2.3070 2.3076 2.9382 2.9392 3.4617 3.4661 k = 0.0000 0.0000 0.0861 ( 14422 PWs) bands (ev): -18.4895 -18.4895 -18.4770 -18.4770 -18.4687 -18.4687 -18.4643 -18.4643 -16.0187 -16.0187 -15.9379 -15.9379 -15.9261 -15.9261 -15.9249 -15.9249 -15.8972 -15.8972 -15.8705 -15.8705 -13.9589 -13.9589 -12.4171 -12.4171 -7.8710 -7.8710 -6.2294 -6.2294 -4.3690 -4.3690 -3.6800 -3.6800 -3.3866 -3.3866 -2.6535 -2.6535 -2.3047 -2.3047 -0.9102 -0.9102 0.1842 0.1842 2.3064 2.3064 2.9376 2.9376 3.4694 3.4694 k = 0.0000 0.0000 0.0861 ( 14422 PWs) bands (ev): -18.4895 -18.4895 -18.4770 -18.4770 -18.4687 -18.4687 -18.4643 -18.4643 -16.0187 -16.0187 -15.9379 -15.9379 -15.9261 -15.9261 -15.9249 -15.9249 -15.8972 -15.8972 -15.8705 -15.8705 -13.9589 -13.9589 -12.4171 -12.4171 -7.8710 -7.8710 -6.2294 -6.2294 -4.3690 -4.3690 -3.6800 -3.6800 -3.3866 -3.3866 -2.6535 -2.6535 -2.3047 -2.3047 -0.9102 -0.9102 0.1842 0.1842 2.3064 2.3064 2.9376 2.9376 3.4694 3.4694 k = 0.0091-0.0090 0.0861 ( 14426 PWs) bands (ev): -18.4895 -18.4895 -18.4769 -18.4769 -18.4687 -18.4687 -18.4643 -18.4643 -16.0187 -16.0187 -15.9379 -15.9379 -15.9260 -15.9260 -15.9249 -15.9249 -15.8972 -15.8972 -15.8705 -15.8705 -13.9579 -13.9579 -12.4167 -12.4167 -7.8737 -7.8737 -6.2329 -6.2329 -4.3692 -4.3692 -3.6795 -3.6794 -3.3840 -3.3840 -2.6515 -2.6515 -2.3015 -2.3015 -0.9114 -0.9114 0.1856 0.1856 2.3073 2.3073 2.9387 2.9387 3.4640 3.4646 k = 0.0182-0.0180 0.0861 ( 14436 PWs) bands (ev): -18.4895 -18.4895 -18.4769 -18.4769 -18.4687 -18.4687 -18.4643 -18.4643 -16.0185 -16.0185 -15.9378 -15.9378 -15.9259 -15.9259 -15.9248 -15.9248 -15.8973 -15.8973 -15.8707 -15.8707 -13.9548 -13.9548 -12.4155 -12.4155 -7.8815 -7.8815 -6.2433 -6.2433 -4.3698 -4.3698 -3.6782 -3.6782 -3.3761 -3.3761 -2.6459 -2.6459 -2.2913 -2.2913 -0.9149 -0.9149 0.1898 0.1898 2.3100 2.3100 2.9419 2.9419 3.4504 3.4513 k = 0.0273-0.0270 0.0861 ( 14436 PWs) bands (ev): -18.4894 -18.4894 -18.4769 -18.4769 -18.4687 -18.4687 -18.4643 -18.4642 -16.0181 -16.0181 -15.9377 -15.9377 -15.9258 -15.9257 -15.9247 -15.9247 -15.8974 -15.8974 -15.8710 -15.8710 -13.9495 -13.9495 -12.4135 -12.4135 -7.8945 -7.8945 -6.2604 -6.2604 -4.3705 -4.3705 -3.6773 -3.6773 -3.3616 -3.3616 -2.6387 -2.6387 -2.2728 -2.2728 -0.9208 -0.9208 0.1968 0.1968 2.3145 2.3145 2.9472 2.9472 3.4303 3.4312 k = 0.0364-0.0360 0.0861 ( 14428 PWs) bands (ev): -18.4893 -18.4893 -18.4768 -18.4768 -18.4686 -18.4686 -18.4642 -18.4642 -16.0176 -16.0176 -15.9376 -15.9376 -15.9255 -15.9255 -15.9245 -15.9245 -15.8977 -15.8977 -15.8714 -15.8714 -13.9422 -13.9422 -12.4107 -12.4107 -7.9121 -7.9121 -6.2841 -6.2841 -4.3710 -4.3710 -3.6785 -3.6785 -3.3391 -3.3391 -2.6323 -2.6323 -2.2445 -2.2445 -0.9290 -0.9290 0.2067 0.2067 2.3207 2.3207 2.9540 2.9541 3.4033 3.4043 k = 0.0455-0.0450 0.0861 ( 14432 PWs) bands (ev): -18.4892 -18.4892 -18.4768 -18.4768 -18.4685 -18.4685 -18.4642 -18.4641 -16.0170 -16.0170 -15.9374 -15.9374 -15.9252 -15.9252 -15.9243 -15.9242 -15.8980 -15.8980 -15.8719 -15.8719 -13.9329 -13.9329 -12.4071 -12.4071 -7.9342 -7.9342 -6.3139 -6.3139 -4.3708 -4.3708 -3.6833 -3.6833 -3.3075 -3.3075 -2.6290 -2.6290 -2.2051 -2.2051 -0.9396 -0.9396 0.2195 0.2195 2.3284 2.3285 2.9619 2.9619 3.3686 3.3695 k = 0.0545-0.0540 0.0861 ( 14440 PWs) bands (ev): -18.4890 -18.4890 -18.4767 -18.4767 -18.4685 -18.4685 -18.4641 -18.4641 -16.0163 -16.0163 -15.9372 -15.9372 -15.9248 -15.9248 -15.9240 -15.9239 -15.8983 -15.8983 -15.8725 -15.8725 -13.9214 -13.9214 -12.4027 -12.4027 -7.9603 -7.9603 -6.3494 -6.3494 -4.3696 -4.3696 -3.6925 -3.6924 -3.2660 -3.2660 -2.6304 -2.6304 -2.1543 -2.1543 -0.9524 -0.9524 0.2351 0.2351 2.3375 2.3376 2.9694 2.9695 3.3257 3.3265 k = 0.0636-0.0630 0.0861 ( 14420 PWs) bands (ev): -18.4889 -18.4888 -18.4766 -18.4766 -18.4684 -18.4684 -18.4641 -18.4640 -16.0154 -16.0154 -15.9370 -15.9369 -15.9244 -15.9244 -15.9236 -15.9236 -15.8988 -15.8988 -15.8732 -15.8732 -13.9078 -13.9078 -12.3976 -12.3976 -7.9898 -7.9898 -6.3900 -6.3900 -4.3670 -4.3670 -3.7064 -3.7064 -3.2147 -3.2147 -2.6371 -2.6371 -2.0928 -2.0928 -0.9674 -0.9674 0.2536 0.2536 2.3477 2.3478 2.9737 2.9738 3.2766 3.2772 k = 0.0727-0.0720 0.0861 ( 14436 PWs) bands (ev): -18.4887 -18.4887 -18.4765 -18.4765 -18.4683 -18.4683 -18.4640 -18.4639 -16.0145 -16.0145 -15.9367 -15.9366 -15.9240 -15.9240 -15.9232 -15.9231 -15.8993 -15.8993 -15.8740 -15.8739 -13.8922 -13.8922 -12.3917 -12.3917 -8.0223 -8.0223 -6.4352 -6.4352 -4.3627 -4.3627 -3.7249 -3.7248 -3.1543 -3.1543 -2.6489 -2.6489 -2.0223 -2.0223 -0.9846 -0.9845 0.2749 0.2749 2.3585 2.3586 2.9685 2.9686 3.2276 3.2280 k = 0.0818-0.0810 0.0861 ( 14426 PWs) bands (ev): -18.4885 -18.4885 -18.4764 -18.4764 -18.4682 -18.4682 -18.4639 -18.4639 -16.0135 -16.0135 -15.9364 -15.9364 -15.9236 -15.9236 -15.9227 -15.9226 -15.8999 -15.8999 -15.8748 -15.8748 -13.8745 -13.8745 -12.3851 -12.3851 -8.0571 -8.0571 -6.4845 -6.4845 -4.3565 -4.3565 -3.7474 -3.7474 -3.0856 -3.0856 -2.6654 -2.6654 -1.9446 -1.9446 -1.0038 -1.0037 0.2989 0.2989 2.3692 2.3692 2.9427 2.9428 3.1913 3.1916 k = 0.0909-0.0900 0.0861 ( 14440 PWs) bands (ev): -18.4883 -18.4882 -18.4763 -18.4762 -18.4681 -18.4681 -18.4638 -18.4638 -16.0123 -16.0123 -15.9361 -15.9360 -15.9232 -15.9232 -15.9221 -15.9220 -15.9005 -15.9005 -15.8758 -15.8758 -13.8547 -13.8547 -12.3779 -12.3779 -8.0938 -8.0938 -6.5372 -6.5372 -4.3483 -4.3483 -3.7733 -3.7733 -3.0098 -3.0097 -2.6861 -2.6861 -1.8619 -1.8619 -1.0248 -1.0248 0.3255 0.3256 2.3784 2.3785 2.8889 2.8890 3.1784 3.1785 k = 0.1000-0.0990 0.0861 ( 14430 PWs) bands (ev): -18.4881 -18.4880 -18.4761 -18.4761 -18.4680 -18.4680 -18.4637 -18.4637 -16.0112 -16.0112 -15.9358 -15.9357 -15.9229 -15.9229 -15.9214 -15.9213 -15.9012 -15.9012 -15.8768 -15.8768 -13.8328 -13.8328 -12.3700 -12.3700 -8.1317 -8.1317 -6.5926 -6.5926 -4.3382 -4.3382 -3.8021 -3.8021 -2.9278 -2.9277 -2.7103 -2.7103 -1.7764 -1.7764 -1.0475 -1.0475 0.3547 0.3547 2.3840 2.3841 2.8147 2.8148 3.1859 3.1860 k = 0.1091-0.1079 0.0861 ( 14430 PWs) bands (ev): -18.4878 -18.4878 -18.4760 -18.4760 -18.4679 -18.4679 -18.4636 -18.4635 -16.0099 -16.0099 -15.9355 -15.9354 -15.9226 -15.9226 -15.9206 -15.9206 -15.9019 -15.9019 -15.8778 -15.8778 -13.8089 -13.8089 -12.3615 -12.3615 -8.1704 -8.1704 -6.6503 -6.6503 -4.3266 -4.3265 -3.8328 -3.8328 -2.8410 -2.8409 -2.7377 -2.7376 -1.6904 -1.6904 -1.0716 -1.0716 0.3861 0.3862 2.3817 2.3818 2.7348 2.7348 3.2062 3.2063 k = 0.1182-0.1169 0.0861 ( 14416 PWs) bands (ev): -18.4876 -18.4875 -18.4758 -18.4758 -18.4678 -18.4678 -18.4635 -18.4634 -16.0087 -16.0086 -15.9352 -15.9352 -15.9224 -15.9224 -15.9198 -15.9198 -15.9027 -15.9027 -15.8789 -15.8789 -13.7829 -13.7829 -12.3524 -12.3524 -8.2094 -8.2094 -6.7097 -6.7097 -4.3138 -4.3137 -3.8647 -3.8647 -2.7717 -2.7708 -2.7471 -2.7462 -1.6063 -1.6063 -1.0969 -1.0968 0.4196 0.4197 2.3639 2.3641 2.6638 2.6639 3.2342 3.2343 k = 0.1273-0.1259 0.0861 ( 14432 PWs) bands (ev): -18.4873 -18.4873 -18.4757 -18.4756 -18.4678 -18.4677 -18.4634 -18.4633 -16.0074 -16.0074 -15.9350 -15.9349 -15.9224 -15.9223 -15.9190 -15.9189 -15.9034 -15.9034 -15.8801 -15.8801 -13.7550 -13.7550 -12.3428 -12.3428 -8.2481 -8.2481 -6.7703 -6.7703 -4.3007 -4.3006 -3.8966 -3.8966 -2.8021 -2.8019 -2.6550 -2.6549 -1.5268 -1.5268 -1.1228 -1.1227 0.4550 0.4550 2.3234 2.3236 2.6135 2.6137 3.2661 3.2661 k = 0.1364-0.1349 0.0861 ( 14432 PWs) bands (ev): -18.4871 -18.4870 -18.4755 -18.4755 -18.4677 -18.4677 -18.4633 -18.4632 -16.0061 -16.0061 -15.9348 -15.9347 -15.9224 -15.9223 -15.9181 -15.9181 -15.9041 -15.9040 -15.8812 -15.8812 -13.7250 -13.7250 -12.3327 -12.3327 -8.2861 -8.2861 -6.8316 -6.8316 -4.2886 -4.2886 -3.9269 -3.9269 -2.8371 -2.8369 -2.5595 -2.5595 -1.4550 -1.4550 -1.1488 -1.1488 0.4920 0.4920 2.2624 2.2625 2.5835 2.5837 3.2245 3.2246 k = 0.1455-0.1439 0.0861 ( 14430 PWs) bands (ev): -18.4868 -18.4868 -18.4753 -18.4753 -18.4677 -18.4676 -18.4632 -18.4631 -16.0048 -16.0048 -15.9348 -15.9347 -15.9226 -15.9225 -15.9172 -15.9172 -15.9046 -15.9046 -15.8824 -15.8823 -13.6931 -13.6931 -12.3222 -12.3222 -8.3229 -8.3229 -6.8931 -6.8931 -4.2796 -4.2796 -3.9533 -3.9533 -2.8743 -2.8741 -2.4636 -2.4635 -1.3942 -1.3942 -1.1742 -1.1741 0.5305 0.5306 2.1925 2.1926 2.5612 2.5614 3.1272 3.1272 k = 0.1545-0.1529 0.0861 ( 14434 PWs) bands (ev): -18.4866 -18.4865 -18.4751 -18.4751 -18.4677 -18.4676 -18.4630 -18.4630 -16.0036 -16.0036 -15.9349 -15.9348 -15.9230 -15.9229 -15.9163 -15.9163 -15.9049 -15.9049 -15.8835 -15.8834 -13.6592 -13.6592 -12.3113 -12.3113 -8.3583 -8.3583 -6.9544 -6.9544 -4.2766 -4.2766 -3.9729 -3.9728 -2.9132 -2.9131 -2.3688 -2.3687 -1.3482 -1.3482 -1.1977 -1.1977 0.5705 0.5706 2.1247 2.1247 2.5314 2.5316 3.0399 3.0399 k = 0.1636-0.1619 0.0861 ( 14428 PWs) bands (ev): -18.4864 -18.4863 -18.4749 -18.4749 -18.4677 -18.4676 -18.4629 -18.4629 -16.0024 -16.0024 -15.9352 -15.9351 -15.9235 -15.9234 -15.9154 -15.9154 -15.9051 -15.9051 -15.8845 -15.8845 -13.6235 -13.6235 -12.3001 -12.3001 -8.3917 -8.3917 -7.0153 -7.0153 -4.2826 -4.2825 -3.9823 -3.9823 -2.9538 -2.9536 -2.2767 -2.2766 -1.3208 -1.3208 -1.2181 -1.2181 0.6120 0.6121 2.0648 2.0649 2.4826 2.4828 2.9766 2.9767 k = 0.1727-0.1709 0.0861 ( 14426 PWs) bands (ev): -18.4862 -18.4861 -18.4747 -18.4747 -18.4677 -18.4677 -18.4628 -18.4627 -16.0013 -16.0013 -15.9358 -15.9357 -15.9241 -15.9240 -15.9145 -15.9145 -15.9050 -15.9050 -15.8855 -15.8855 -13.5858 -13.5858 -12.2887 -12.2887 -8.4229 -8.4229 -7.0753 -7.0753 -4.2991 -4.2991 -3.9800 -3.9799 -2.9957 -2.9956 -2.1893 -2.1893 -1.3134 -1.3133 -1.2359 -1.2359 0.6549 0.6549 2.0150 2.0151 2.4131 2.4132 2.9436 2.9437 k = 0.1818-0.1799 0.0861 ( 14416 PWs) bands (ev): -18.4860 -18.4859 -18.4745 -18.4745 -18.4678 -18.4677 -18.4627 -18.4626 -16.0003 -16.0002 -15.9368 -15.9367 -15.9246 -15.9246 -15.9137 -15.9137 -15.9047 -15.9047 -15.8864 -15.8863 -13.5464 -13.5464 -12.2771 -12.2771 -8.4516 -8.4515 -7.1342 -7.1342 -4.3256 -4.3256 -3.9664 -3.9663 -3.0388 -3.0386 -2.1092 -2.1091 -1.3224 -1.3223 -1.2554 -1.2554 0.6985 0.6986 1.9731 1.9732 2.3349 2.3350 2.9365 2.9366 k = 0.1909-0.1889 0.0861 ( 14420 PWs) bands (ev): -18.4858 -18.4858 -18.4743 -18.4743 -18.4679 -18.4678 -18.4626 -18.4625 -15.9994 -15.9993 -15.9382 -15.9382 -15.9251 -15.9251 -15.9130 -15.9130 -15.9042 -15.9042 -15.8871 -15.8871 -13.5053 -13.5053 -12.2654 -12.2654 -8.4774 -8.4774 -7.1918 -7.1918 -4.3598 -4.3598 -3.9437 -3.9436 -3.0828 -3.0826 -2.0389 -2.0388 -1.3459 -1.3458 -1.2781 -1.2780 0.7414 0.7414 1.9329 1.9331 2.2674 2.2674 2.9474 2.9474 k = 0.2000-0.1979 0.0861 ( 14418 PWs) bands (ev): -18.4857 -18.4856 -18.4741 -18.4741 -18.4680 -18.4680 -18.4625 -18.4624 -15.9986 -15.9986 -15.9401 -15.9400 -15.9255 -15.9255 -15.9124 -15.9124 -15.9036 -15.9035 -15.8877 -15.8877 -13.4625 -13.4625 -12.2537 -12.2537 -8.5001 -8.5001 -7.2477 -7.2477 -4.3994 -4.3994 -3.9142 -3.9141 -3.1276 -3.1274 -1.9815 -1.9814 -1.3913 -1.3912 -1.2947 -1.2947 0.7803 0.7803 1.8886 1.8889 2.2277 2.2277 2.9698 2.9699 k = 0.2091-0.2069 0.0861 ( 14414 PWs) bands (ev): -18.4856 -18.4855 -18.4739 -18.4739 -18.4682 -18.4681 -18.4624 -18.4623 -15.9980 -15.9979 -15.9423 -15.9423 -15.9258 -15.9258 -15.9119 -15.9119 -15.9027 -15.9027 -15.8881 -15.8880 -13.4181 -13.4181 -12.2420 -12.2420 -8.5195 -8.5195 -7.3017 -7.3017 -4.4425 -4.4425 -3.8798 -3.8797 -3.1730 -3.1728 -1.9394 -1.9392 -1.4616 -1.4616 -1.3002 -1.3002 0.8104 0.8104 1.8438 1.8441 2.2213 2.2213 3.0004 3.0005 k = 0.2182-0.2159 0.0861 ( 14420 PWs) bands (ev): -18.4855 -18.4854 -18.4737 -18.4736 -18.4684 -18.4683 -18.4623 -18.4622 -15.9975 -15.9975 -15.9449 -15.9448 -15.9261 -15.9261 -15.9116 -15.9116 -15.9018 -15.9017 -15.8882 -15.8882 -13.3722 -13.3722 -12.2305 -12.2305 -8.5354 -8.5353 -7.3538 -7.3538 -4.4879 -4.4879 -3.8416 -3.8415 -3.2187 -3.2185 -1.9141 -1.9140 -1.5520 -1.5520 -1.2979 -1.2979 0.8264 0.8265 1.8116 1.8119 2.2419 2.2420 3.0373 3.0374 k = 0.2273-0.2249 0.0861 ( 14428 PWs) bands (ev): -18.4855 -18.4854 -18.4735 -18.4734 -18.4686 -18.4685 -18.4622 -18.4621 -15.9972 -15.9972 -15.9477 -15.9477 -15.9263 -15.9263 -15.9115 -15.9114 -15.9007 -15.9006 -15.8882 -15.8881 -13.3249 -13.3249 -12.2192 -12.2192 -8.5475 -8.5475 -7.4037 -7.4036 -4.5347 -4.5347 -3.8007 -3.8006 -3.2646 -3.2645 -1.9064 -1.9062 -1.6569 -1.6569 -1.2924 -1.2924 0.8252 0.8253 1.8045 1.8049 2.2807 2.2808 3.0800 3.0801 k = 0.2364-0.2339 0.0861 ( 14418 PWs) bands (ev): -18.4855 -18.4854 -18.4732 -18.4732 -18.4688 -18.4688 -18.4621 -18.4620 -15.9972 -15.9972 -15.9508 -15.9507 -15.9264 -15.9264 -15.9115 -15.9114 -15.8995 -15.8995 -15.8879 -15.8878 -13.2763 -13.2763 -12.2081 -12.2081 -8.5558 -8.5558 -7.4512 -7.4511 -4.5823 -4.5823 -3.7578 -3.7577 -3.3105 -3.3103 -1.9192 -1.9190 -1.7677 -1.7677 -1.2895 -1.2894 0.8086 0.8087 1.8273 1.8277 2.3304 2.3305 3.1287 3.1287 k = 0.2455-0.2429 0.0861 ( 14418 PWs) bands (ev): -18.4855 -18.4854 -18.4730 -18.4730 -18.4691 -18.4691 -18.4620 -18.4619 -15.9974 -15.9973 -15.9540 -15.9539 -15.9266 -15.9266 -15.9115 -15.9115 -15.8983 -15.8982 -15.8874 -15.8873 -13.2265 -13.2265 -12.1973 -12.1973 -8.5601 -8.5601 -7.4962 -7.4962 -4.6303 -4.6303 -3.7137 -3.7137 -3.3558 -3.3556 -1.9737 -1.9735 -1.8575 -1.8575 -1.2949 -1.2948 0.7840 0.7841 1.8775 1.8779 2.3854 2.3855 3.1838 3.1839 k = 0.2545-0.2519 0.0861 ( 14418 PWs) bands (ev): -18.4855 -18.4854 -18.4729 -18.4728 -18.4694 -18.4694 -18.4619 -18.4618 -15.9978 -15.9978 -15.9573 -15.9573 -15.9268 -15.9268 -15.9117 -15.9117 -15.8970 -15.8970 -15.8867 -15.8866 -13.1756 -13.1756 -12.1870 -12.1870 -8.5603 -8.5602 -7.5386 -7.5386 -4.6783 -4.6783 -3.6696 -3.6696 -3.3999 -3.3997 -2.0878 -2.0876 -1.9034 -1.9033 -1.3138 -1.3137 0.7604 0.7605 1.9490 1.9494 2.4413 2.4414 3.2461 3.2462 k = 0.2636-0.2609 0.0861 ( 14404 PWs) bands (ev): -18.4856 -18.4855 -18.4727 -18.4727 -18.4698 -18.4697 -18.4618 -18.4618 -15.9985 -15.9984 -15.9607 -15.9607 -15.9270 -15.9270 -15.9119 -15.9119 -15.8957 -15.8956 -15.8859 -15.8858 -13.1239 -13.1239 -12.1771 -12.1771 -8.5563 -8.5563 -7.5782 -7.5782 -4.7260 -4.7260 -3.6278 -3.6278 -3.4408 -3.4406 -2.2264 -2.2262 -1.9360 -1.9359 -1.3498 -1.3498 0.7457 0.7458 2.0353 2.0358 2.4950 2.4951 3.3161 3.3161 k = 0.2727-0.2699 0.0861 ( 14394 PWs) bands (ev): -18.4857 -18.4856 -18.4726 -18.4726 -18.4701 -18.4700 -18.4618 -18.4617 -15.9994 -15.9994 -15.9641 -15.9641 -15.9272 -15.9271 -15.9121 -15.9121 -15.8943 -15.8942 -15.8849 -15.8849 -13.0713 -13.0713 -12.1677 -12.1677 -8.5481 -8.5481 -7.6150 -7.6150 -4.7732 -4.7732 -3.5958 -3.5958 -3.4718 -3.4715 -2.3730 -2.3729 -1.9684 -1.9681 -1.4046 -1.4044 0.7449 0.7450 2.1306 2.1311 2.5446 2.5447 3.3934 3.3935 k = 0.2818-0.2789 0.0861 ( 14394 PWs) bands (ev): -18.4859 -18.4858 -18.4726 -18.4725 -18.4703 -18.4703 -18.4617 -18.4616 -16.0006 -16.0005 -15.9676 -15.9676 -15.9274 -15.9273 -15.9124 -15.9123 -15.8929 -15.8929 -15.8839 -15.8839 -13.0182 -13.0182 -12.1588 -12.1588 -8.5357 -8.5357 -7.6489 -7.6489 -4.8198 -4.8197 -3.5929 -3.5929 -3.4743 -3.4740 -2.5224 -2.5222 -2.0026 -2.0023 -1.4773 -1.4772 0.7601 0.7602 2.2300 2.2305 2.5899 2.5901 3.4770 3.4771 k = 0.2909-0.2879 0.0861 ( 14384 PWs) bands (ev): -18.4861 -18.4860 -18.4727 -18.4727 -18.4705 -18.4704 -18.4616 -18.4615 -16.0020 -16.0020 -15.9711 -15.9711 -15.9276 -15.9275 -15.9126 -15.9125 -15.8915 -15.8915 -15.8828 -15.8828 -12.9646 -12.9646 -12.1505 -12.1505 -8.5192 -8.5191 -7.6798 -7.6798 -4.8654 -4.8654 -3.6217 -3.6217 -3.4472 -3.4470 -2.6711 -2.6709 -2.0394 -2.0391 -1.5656 -1.5654 0.7913 0.7914 2.3280 2.3286 2.6329 2.6331 3.5647 3.5648 k = 0.3000-0.2969 0.0861 ( 14378 PWs) bands (ev): -18.4863 -18.4862 -18.4729 -18.4729 -18.4705 -18.4705 -18.4615 -18.4615 -16.0037 -16.0036 -15.9746 -15.9746 -15.9277 -15.9276 -15.9128 -15.9127 -15.8901 -15.8901 -15.8817 -15.8816 -12.9108 -12.9108 -12.1427 -12.1427 -8.4984 -8.4984 -7.7075 -7.7075 -4.9100 -4.9100 -3.6630 -3.6629 -3.4127 -3.4125 -2.8148 -2.8147 -2.0798 -2.0793 -1.6656 -1.6653 0.8368 0.8369 2.4177 2.4185 2.6784 2.6787 3.6534 3.6536 k = 0.3091-0.3058 0.0861 ( 14362 PWs) bands (ev): -18.4865 -18.4864 -18.4733 -18.4733 -18.4705 -18.4704 -18.4614 -18.4614 -16.0055 -16.0055 -15.9781 -15.9781 -15.9278 -15.9277 -15.9129 -15.9129 -15.8887 -15.8887 -15.8805 -15.8805 -12.8569 -12.8569 -12.1356 -12.1356 -8.4737 -8.4737 -7.7321 -7.7321 -4.9535 -4.9535 -3.7093 -3.7092 -3.3849 -3.3847 -2.9463 -2.9461 -2.1255 -2.1250 -1.7717 -1.7713 0.8944 0.8945 2.4905 2.4914 2.7340 2.7344 3.7392 3.7394 k = 0.3182-0.3148 0.0861 ( 14360 PWs) bands (ev): -18.4867 -18.4866 -18.4738 -18.4738 -18.4704 -18.4703 -18.4614 -18.4613 -16.0076 -16.0075 -15.9815 -15.9815 -15.9279 -15.9278 -15.9131 -15.9130 -15.8874 -15.8873 -15.8794 -15.8793 -12.8031 -12.8031 -12.1291 -12.1291 -8.4450 -8.4450 -7.7535 -7.7535 -4.9957 -4.9957 -3.7595 -3.7594 -3.3808 -3.3806 -3.0488 -3.0486 -2.1806 -2.1800 -1.8766 -1.8761 0.9620 0.9621 2.5406 2.5414 2.8046 2.8050 3.8175 3.8177 k = 0.3273-0.3238 0.0861 ( 14364 PWs) bands (ev): -18.4870 -18.4869 -18.4743 -18.4743 -18.4702 -18.4702 -18.4613 -18.4612 -16.0097 -16.0097 -15.9849 -15.9849 -15.9279 -15.9278 -15.9132 -15.9131 -15.8860 -15.8860 -15.8782 -15.8782 -12.7498 -12.7498 -12.1232 -12.1232 -8.4127 -8.4126 -7.7717 -7.7717 -5.0365 -5.0365 -3.8150 -3.8148 -3.4235 -3.4233 -3.0978 -3.0977 -2.2512 -2.2504 -1.9711 -1.9705 1.0374 1.0375 2.5707 2.5715 2.8867 2.8871 3.8833 3.8835 k = 0.3364-0.3328 0.0861 ( 14368 PWs) bands (ev): -18.4873 -18.4872 -18.4749 -18.4749 -18.4701 -18.4701 -18.4612 -18.4612 -16.0120 -16.0120 -15.9883 -15.9883 -15.9278 -15.9278 -15.9132 -15.9132 -15.8847 -15.8847 -15.8771 -15.8770 -12.6970 -12.6970 -12.1179 -12.1179 -8.3767 -8.3767 -7.7866 -7.7866 -5.0759 -5.0758 -3.8787 -3.8785 -3.5066 -3.5065 -3.0966 -3.0966 -2.3416 -2.3409 -2.0474 -2.0468 1.1189 1.1190 2.5878 2.5886 2.9728 2.9732 3.9325 3.9326 k = 0.3455-0.3418 0.0861 ( 14368 PWs) bands (ev): -18.4875 -18.4875 -18.4755 -18.4755 -18.4699 -18.4699 -18.4612 -18.4611 -16.0143 -16.0143 -15.9917 -15.9916 -15.9278 -15.9277 -15.9133 -15.9132 -15.8834 -15.8834 -15.8759 -15.8759 -12.6451 -12.6450 -12.1131 -12.1131 -8.3376 -8.3375 -7.7982 -7.7982 -5.1136 -5.1136 -3.9546 -3.9545 -3.5991 -3.5990 -3.0732 -3.0731 -2.4487 -2.4480 -2.1056 -2.1051 1.2048 1.2049 2.5971 2.5979 3.0571 3.0575 3.9634 3.9635 k = 0.3545-0.3508 0.0861 ( 14348 PWs) bands (ev): -18.4878 -18.4877 -18.4762 -18.4762 -18.4697 -18.4697 -18.4611 -18.4610 -16.0166 -16.0166 -15.9950 -15.9950 -15.9276 -15.9276 -15.9133 -15.9133 -15.8822 -15.8821 -15.8748 -15.8748 -12.5942 -12.5942 -12.1090 -12.1090 -8.2954 -8.2954 -7.8066 -7.8066 -5.1497 -5.1496 -4.0459 -4.0458 -3.6820 -3.6819 -3.0457 -3.0457 -2.5622 -2.5616 -2.1511 -2.1507 1.2938 1.2939 2.6018 2.6025 3.1361 3.1365 3.9777 3.9778 k = 0.3636-0.3598 0.0861 ( 14342 PWs) bands (ev): -18.4881 -18.4880 -18.4768 -18.4768 -18.4696 -18.4696 -18.4610 -18.4610 -16.0189 -16.0189 -15.9982 -15.9982 -15.9275 -15.9274 -15.9134 -15.9133 -15.8810 -15.8809 -15.8738 -15.8738 -12.5447 -12.5447 -12.1053 -12.1053 -8.2506 -8.2506 -7.8118 -7.8118 -5.1841 -5.1840 -4.1514 -4.1514 -3.7499 -3.7498 -3.0278 -3.0277 -2.6685 -2.6681 -2.1887 -2.1883 1.3849 1.3850 2.6036 2.6044 3.2079 3.2084 3.9798 3.9799 k = 0.3727-0.3688 0.0861 ( 14346 PWs) bands (ev): -18.4884 -18.4883 -18.4775 -18.4775 -18.4694 -18.4694 -18.4609 -18.4609 -16.0211 -16.0211 -16.0014 -16.0014 -15.9273 -15.9272 -15.9134 -15.9133 -15.8798 -15.8798 -15.8728 -15.8728 -12.4968 -12.4968 -12.1021 -12.1021 -8.2037 -8.2036 -7.8139 -7.8139 -5.2166 -5.2166 -4.2665 -4.2665 -3.8046 -3.8045 -3.0399 -3.0397 -2.7454 -2.7452 -2.2211 -2.2209 1.4771 1.4772 2.6039 2.6046 3.2716 3.2721 3.9744 3.9745 k = 0.3818-0.3778 0.0861 ( 14344 PWs) bands (ev): -18.4886 -18.4886 -18.4782 -18.4781 -18.4693 -18.4693 -18.4609 -18.4608 -16.0233 -16.0232 -16.0046 -16.0045 -15.9270 -15.9270 -15.9134 -15.9134 -15.8788 -15.8787 -15.8718 -15.8718 -12.4507 -12.4507 -12.0994 -12.0994 -8.1549 -8.1549 -7.8131 -7.8131 -5.2473 -5.2473 -4.3859 -4.3858 -3.8497 -3.8495 -3.1017 -3.1014 -2.7721 -2.7720 -2.2499 -2.2497 1.5694 1.5695 2.6032 2.6039 3.3270 3.3277 3.9652 3.9653 k = 0.3909-0.3868 0.0861 ( 14356 PWs) bands (ev): -18.4889 -18.4888 -18.4788 -18.4788 -18.4691 -18.4691 -18.4608 -18.4608 -16.0253 -16.0252 -16.0076 -16.0076 -15.9268 -15.9267 -15.9134 -15.9134 -15.8778 -15.8777 -15.8709 -15.8709 -12.4067 -12.4067 -12.0971 -12.0971 -8.1050 -8.1050 -7.8096 -7.8095 -5.2761 -5.2760 -4.5056 -4.5055 -3.8878 -3.8875 -3.1993 -3.1989 -2.7612 -2.7612 -2.2758 -2.2756 1.6610 1.6611 2.6020 2.6028 3.3747 3.3754 3.9545 3.9547 k = 0.4000-0.3958 0.0861 ( 14356 PWs) bands (ev): -18.4891 -18.4890 -18.4795 -18.4794 -18.4690 -18.4690 -18.4608 -18.4607 -16.0271 -16.0271 -16.0106 -16.0105 -15.9265 -15.9265 -15.9134 -15.9134 -15.8768 -15.8768 -15.8701 -15.8701 -12.3652 -12.3652 -12.0951 -12.0951 -8.0545 -8.0545 -7.8035 -7.8034 -5.3029 -5.3028 -4.6228 -4.6227 -3.9207 -3.9204 -3.3097 -3.3093 -2.7349 -2.7349 -2.2992 -2.2990 1.7512 1.7513 2.6008 2.6015 3.4154 3.4163 3.9436 3.9438 k = 0.4091-0.4048 0.0861 ( 14354 PWs) bands (ev): -18.4893 -18.4892 -18.4801 -18.4801 -18.4689 -18.4689 -18.4607 -18.4607 -16.0288 -16.0287 -16.0134 -16.0134 -15.9263 -15.9262 -15.9134 -15.9134 -15.8759 -15.8759 -15.8693 -15.8693 -12.3262 -12.3262 -12.0935 -12.0935 -8.0040 -8.0040 -7.7951 -7.7951 -5.3277 -5.3276 -4.7356 -4.7355 -3.9496 -3.9493 -3.4217 -3.4212 -2.7037 -2.7037 -2.3203 -2.3202 1.8390 1.8391 2.5994 2.6001 3.4505 3.4515 3.9331 3.9335 k = 0.4182-0.4138 0.0861 ( 14354 PWs) bands (ev): -18.4895 -18.4894 -18.4807 -18.4807 -18.4688 -18.4687 -18.4606 -18.4606 -16.0302 -16.0302 -16.0161 -16.0161 -15.9260 -15.9260 -15.9134 -15.9134 -15.8751 -15.8751 -15.8686 -15.8686 -12.2902 -12.2902 -12.0921 -12.0921 -7.9543 -7.9543 -7.7850 -7.7850 -5.3504 -5.3503 -4.8425 -4.8423 -3.9750 -3.9746 -3.5302 -3.5297 -2.6716 -2.6716 -2.3393 -2.3391 1.9237 1.9238 2.5979 2.5986 3.4812 3.4823 3.9235 3.9239 k = 0.4273-0.4228 0.0861 ( 14350 PWs) bands (ev): -18.4897 -18.4896 -18.4813 -18.4812 -18.4686 -18.4686 -18.4606 -18.4606 -16.0315 -16.0315 -16.0187 -16.0186 -15.9258 -15.9258 -15.9134 -15.9134 -15.8744 -15.8744 -15.8679 -15.8679 -12.2572 -12.2572 -12.0910 -12.0910 -7.9063 -7.9062 -7.7735 -7.7734 -5.3710 -5.3709 -4.9421 -4.9420 -3.9973 -3.9969 -3.6327 -3.6322 -2.6406 -2.6406 -2.3561 -2.3560 2.0043 2.0045 2.5959 2.5966 3.5090 3.5103 3.9147 3.9154 k = 0.4364-0.4318 0.0861 ( 14348 PWs) bands (ev): -18.4898 -18.4897 -18.4818 -18.4818 -18.4686 -18.4686 -18.4605 -18.4605 -16.0326 -16.0325 -16.0211 -16.0210 -15.9256 -15.9255 -15.9134 -15.9133 -15.8737 -15.8737 -15.8674 -15.8673 -12.2276 -12.2276 -12.0902 -12.0902 -7.8607 -7.8606 -7.7611 -7.7610 -5.3894 -5.3893 -5.0334 -5.0332 -4.0168 -4.0163 -3.7271 -3.7266 -2.6118 -2.6118 -2.3710 -2.3709 2.0803 2.0804 2.5932 2.5939 3.5352 3.5367 3.9068 3.9077 k = 0.4455-0.4408 0.0861 ( 14338 PWs) bands (ev): -18.4899 -18.4899 -18.4823 -18.4822 -18.4685 -18.4685 -18.4605 -18.4605 -16.0334 -16.0333 -16.0233 -16.0232 -15.9254 -15.9253 -15.9134 -15.9133 -15.8732 -15.8732 -15.8669 -15.8668 -12.2015 -12.2015 -12.0895 -12.0895 -7.8185 -7.8185 -7.7484 -7.7484 -5.4056 -5.4055 -5.1152 -5.1150 -4.0336 -4.0331 -3.8121 -3.8115 -2.5859 -2.5859 -2.3838 -2.3837 2.1506 2.1508 2.5893 2.5899 3.5612 3.5627 3.8997 3.9008 k = 0.4545-0.4498 0.0861 ( 14342 PWs) bands (ev): -18.4900 -18.4899 -18.4827 -18.4827 -18.4684 -18.4684 -18.4605 -18.4605 -16.0339 -16.0339 -16.0253 -16.0253 -15.9252 -15.9252 -15.9134 -15.9133 -15.8727 -15.8727 -15.8664 -15.8664 -12.1791 -12.1791 -12.0889 -12.0889 -7.7806 -7.7806 -7.7360 -7.7360 -5.4195 -5.4193 -5.1866 -5.1864 -4.0481 -4.0474 -3.8862 -3.8855 -2.5633 -2.5633 -2.3946 -2.3945 2.2146 2.2148 2.5836 2.5842 3.5876 3.5893 3.8933 3.8947 k = 0.4636-0.4588 0.0861 ( 14332 PWs) bands (ev): -18.4901 -18.4900 -18.4831 -18.4830 -18.4684 -18.4684 -18.4604 -18.4604 -16.0343 -16.0342 -16.0271 -16.0271 -15.9250 -15.9250 -15.9134 -15.9133 -15.8723 -15.8723 -15.8661 -15.8661 -12.1605 -12.1605 -12.0885 -12.0885 -7.7481 -7.7481 -7.7247 -7.7247 -5.4311 -5.4309 -5.2465 -5.2464 -4.0602 -4.0595 -3.9482 -3.9474 -2.5445 -2.5445 -2.4033 -2.4033 2.2716 2.2718 2.5759 2.5764 3.6148 3.6165 3.8874 3.8890 k = 0.4727-0.4678 0.0861 ( 14334 PWs) bands (ev): -18.4901 -18.4901 -18.4834 -18.4833 -18.4683 -18.4683 -18.4604 -18.4604 -16.0344 -16.0344 -16.0287 -16.0287 -15.9249 -15.9249 -15.9134 -15.9133 -15.8720 -15.8720 -15.8658 -15.8658 -12.1460 -12.1460 -12.0881 -12.0881 -7.7220 -7.7219 -7.7149 -7.7148 -5.4402 -5.4400 -5.2942 -5.2940 -4.0705 -4.0696 -3.9968 -3.9958 -2.5296 -2.5296 -2.4101 -2.4100 2.3206 2.3208 2.5660 2.5665 3.6419 3.6435 3.8821 3.8838 k = 0.4818-0.4768 0.0861 ( 14334 PWs) bands (ev): -18.4901 -18.4901 -18.4836 -18.4835 -18.4683 -18.4683 -18.4604 -18.4604 -16.0343 -16.0343 -16.0300 -16.0300 -15.9248 -15.9248 -15.9133 -15.9133 -15.8718 -15.8718 -15.8656 -15.8656 -12.1356 -12.1356 -12.0879 -12.0879 -7.7083 -7.7082 -7.7018 -7.7017 -5.4468 -5.4467 -5.3287 -5.3286 -4.0793 -4.0784 -4.0305 -4.0296 -2.5189 -2.5189 -2.4148 -2.4148 2.3601 2.3603 2.5550 2.5553 3.6667 3.6681 3.8773 3.8790 k = 0.4909-0.4858 0.0861 ( 14340 PWs) bands (ev): -18.4901 -18.4901 -18.4837 -18.4837 -18.4683 -18.4683 -18.4604 -18.4604 -16.0341 -16.0341 -16.0309 -16.0309 -15.9248 -15.9248 -15.9133 -15.9133 -15.8716 -15.8716 -15.8655 -15.8655 -12.1293 -12.1293 -12.0877 -12.0877 -7.7034 -7.7034 -7.6900 -7.6900 -5.4509 -5.4508 -5.3496 -5.3495 -4.0864 -4.0858 -4.0489 -4.0483 -2.5125 -2.5125 -2.4176 -2.4176 2.3872 2.3874 2.5452 2.5454 3.6852 3.6861 3.8739 3.8749 k = 0.5000-0.4948 0.0861 ( 14330 PWs) bands (ev): -18.4901 -18.4901 -18.4837 -18.4837 -18.4683 -18.4683 -18.4604 -18.4604 -16.0340 -16.0340 -16.0313 -16.0313 -15.9247 -15.9247 -15.9133 -15.9133 -15.8716 -15.8716 -15.8654 -15.8654 -12.1272 -12.1272 -12.0877 -12.0877 -7.7018 -7.7018 -7.6860 -7.6860 -5.4522 -5.4522 -5.3566 -5.3566 -4.0892 -4.0892 -4.0541 -4.0541 -2.5104 -2.5104 -2.4186 -2.4186 2.3973 2.3973 2.5410 2.5410 3.6926 3.6926 3.8729 3.8729 k = 0.5000-0.4948 0.0861 ( 14330 PWs) bands (ev): -18.4901 -18.4901 -18.4837 -18.4837 -18.4683 -18.4683 -18.4604 -18.4604 -16.0340 -16.0340 -16.0313 -16.0313 -15.9247 -15.9247 -15.9133 -15.9133 -15.8716 -15.8716 -15.8654 -15.8654 -12.1272 -12.1272 -12.0877 -12.0877 -7.7018 -7.7018 -7.6860 -7.6860 -5.4522 -5.4522 -5.3566 -5.3566 -4.0892 -4.0892 -4.0541 -4.0541 -2.5104 -2.5104 -2.4186 -2.4186 2.3973 2.3973 2.5410 2.5410 3.6926 3.6926 3.8729 3.8729 k = 0.5019-0.4929 0.0861 ( 14336 PWs) bands (ev): -18.4902 -18.4901 -18.4838 -18.4837 -18.4683 -18.4682 -18.4604 -18.4604 -16.0341 -16.0339 -16.0314 -16.0311 -15.9248 -15.9247 -15.9134 -15.9133 -15.8716 -15.8716 -15.8654 -15.8654 -12.1272 -12.1272 -12.0878 -12.0877 -7.7023 -7.7018 -7.6861 -7.6861 -5.4526 -5.4511 -5.3582 -5.3550 -4.0899 -4.0881 -4.0542 -4.0536 -2.5103 -2.5103 -2.4187 -2.4186 2.3904 2.4040 2.5337 2.5481 3.6877 3.6975 3.8632 3.8822 k = 0.5086-0.4861 0.0258 ( 14343 PWs) bands (ev): -18.4905 -18.4898 -18.4840 -18.4834 -18.4683 -18.4682 -18.4605 -18.4603 -16.0347 -16.0336 -16.0315 -16.0304 -15.9251 -15.9244 -15.9137 -15.9130 -15.8717 -15.8715 -15.8656 -15.8653 -12.1274 -12.1271 -12.0897 -12.0894 -7.7066 -7.7044 -7.6881 -7.6879 -5.4487 -5.4422 -5.3631 -5.3487 -4.0883 -4.0815 -4.0506 -4.0493 -2.5097 -2.5094 -2.4206 -2.4204 2.3640 2.4255 2.5059 2.5716 3.6705 3.7147 3.8271 3.9109 k = 0.5079-0.4868 0.0146 ( 14348 PWs) bands (ev): -18.4904 -18.4898 -18.4840 -18.4834 -18.4683 -18.4682 -18.4605 -18.4603 -16.0346 -16.0336 -16.0315 -16.0304 -15.9251 -15.9244 -15.9136 -15.9130 -15.8717 -15.8715 -15.8656 -15.8654 -12.1273 -12.1271 -12.0894 -12.0891 -7.7060 -7.7039 -7.6878 -7.6876 -5.4495 -5.4434 -5.3626 -5.3494 -4.0887 -4.0822 -4.0513 -4.0499 -2.5098 -2.5096 -2.4203 -2.4201 2.3668 2.4235 2.5088 2.5694 3.6722 3.7130 3.8308 3.9084 k = 0.5072-0.4875 0.0034 ( 14351 PWs) bands (ev): -18.4904 -18.4898 -18.4840 -18.4834 -18.4683 -18.4682 -18.4604 -18.4603 -16.0346 -16.0336 -16.0315 -16.0305 -15.9250 -15.9244 -15.9136 -15.9131 -15.8717 -15.8715 -15.8655 -15.8654 -12.1273 -12.1271 -12.0891 -12.0889 -7.7054 -7.7035 -7.6875 -7.6873 -5.4502 -5.4446 -5.3622 -5.3500 -4.0891 -4.0830 -4.0519 -4.0505 -2.5099 -2.5097 -2.4200 -2.4198 2.3695 2.4215 2.5116 2.5671 3.6739 3.7113 3.8344 3.9059 k = 0.5066-0.4881-0.0078 ( 14351 PWs) bands (ev): -18.4904 -18.4899 -18.4840 -18.4835 -18.4683 -18.4682 -18.4604 -18.4603 -16.0345 -16.0336 -16.0315 -16.0306 -15.9250 -15.9245 -15.9136 -15.9131 -15.8717 -15.8715 -15.8655 -15.8654 -12.1273 -12.1271 -12.0889 -12.0886 -7.7049 -7.7031 -7.6872 -7.6871 -5.4508 -5.4457 -5.3617 -5.3507 -4.0895 -4.0837 -4.0525 -4.0510 -2.5100 -2.5098 -2.4198 -2.4196 2.3722 2.4194 2.5145 2.5649 3.6756 3.7096 3.8381 3.9032 k = 0.5059-0.4888-0.0189 ( 14358 PWs) bands (ev): -18.4904 -18.4899 -18.4839 -18.4835 -18.4683 -18.4682 -18.4604 -18.4603 -16.0345 -16.0336 -16.0315 -16.0307 -15.9250 -15.9245 -15.9136 -15.9131 -15.8717 -15.8715 -15.8655 -15.8654 -12.1273 -12.1271 -12.0887 -12.0884 -7.7044 -7.7028 -7.6870 -7.6869 -5.4513 -5.4467 -5.3612 -5.3513 -4.0897 -4.0844 -4.0529 -4.0515 -2.5101 -2.5099 -2.4195 -2.4194 2.3749 2.4173 2.5173 2.5626 3.6773 3.7078 3.8418 3.9004 k = 0.5052-0.4895-0.0301 ( 14357 PWs) bands (ev): -18.4903 -18.4899 -18.4839 -18.4835 -18.4683 -18.4682 -18.4604 -18.4603 -16.0344 -16.0337 -16.0315 -16.0308 -15.9250 -15.9245 -15.9135 -15.9131 -15.8717 -15.8715 -15.8655 -15.8654 -12.1273 -12.1271 -12.0885 -12.0883 -7.7039 -7.7025 -7.6868 -7.6867 -5.4517 -5.4477 -5.3608 -5.3519 -4.0899 -4.0851 -4.0533 -4.0520 -2.5101 -2.5100 -2.4193 -2.4192 2.3776 2.4152 2.5201 2.5602 3.6791 3.7061 3.8454 3.8976 k = 0.5052-0.4895-0.0301 ( 14357 PWs) bands (ev): -18.4903 -18.4899 -18.4839 -18.4835 -18.4683 -18.4682 -18.4604 -18.4603 -16.0344 -16.0337 -16.0315 -16.0308 -15.9250 -15.9245 -15.9135 -15.9131 -15.8717 -15.8715 -15.8655 -15.8654 -12.1273 -12.1271 -12.0885 -12.0883 -7.7039 -7.7025 -7.6868 -7.6867 -5.4517 -5.4477 -5.3608 -5.3519 -4.0899 -4.0851 -4.0533 -4.0520 -2.5101 -2.5100 -2.4193 -2.4192 2.3776 2.4152 2.5201 2.5602 3.6791 3.7061 3.8454 3.8976 k = 0.5035-0.4912-0.0201 ( 14354 PWs) bands (ev): -18.4903 -18.4900 -18.4839 -18.4836 -18.4683 -18.4682 -18.4604 -18.4604 -16.0343 -16.0338 -16.0315 -16.0310 -15.9249 -15.9246 -15.9135 -15.9132 -15.8716 -15.8716 -15.8655 -15.8654 -12.1273 -12.1271 -12.0881 -12.0879 -7.7029 -7.7020 -7.6864 -7.6863 -5.4524 -5.4497 -5.3594 -5.3535 -4.0901 -4.0868 -4.0540 -4.0530 -2.5103 -2.5102 -2.4189 -2.4188 2.3843 2.4094 2.5272 2.5540 3.6836 3.7016 3.8548 3.8898 k = 0.5017-0.4930-0.0100 ( 14350 PWs) bands (ev): -18.4902 -18.4901 -18.4838 -18.4837 -18.4683 -18.4682 -18.4604 -18.4604 -16.0341 -16.0339 -16.0314 -16.0311 -15.9248 -15.9247 -15.9134 -15.9133 -15.8716 -15.8716 -15.8654 -15.8654 -12.1272 -12.1272 -12.0878 -12.0877 -7.7022 -7.7018 -7.6861 -7.6861 -5.4526 -5.4512 -5.3580 -5.3551 -4.0899 -4.0882 -4.0542 -4.0537 -2.5104 -2.5103 -2.4187 -2.4186 2.3909 2.4035 2.5342 2.5476 3.6881 3.6971 3.8639 3.8815 k = 0.5000-0.4948 0.0000 ( 14348 PWs) bands (ev): -18.4901 -18.4901 -18.4837 -18.4837 -18.4683 -18.4683 -18.4604 -18.4604 -16.0340 -16.0340 -16.0313 -16.0313 -15.9247 -15.9247 -15.9133 -15.9133 -15.8716 -15.8716 -15.8654 -15.8654 -12.1272 -12.1272 -12.0877 -12.0877 -7.7018 -7.7018 -7.6860 -7.6860 -5.4522 -5.4522 -5.3566 -5.3566 -4.0892 -4.0892 -4.0541 -4.0541 -2.5104 -2.5104 -2.4186 -2.4186 2.3973 2.3973 2.5410 2.5410 3.6926 3.6926 3.8729 3.8729 k = 0.5000-0.4948 0.0000 ( 14348 PWs) bands (ev): -18.4901 -18.4901 -18.4837 -18.4837 -18.4683 -18.4683 -18.4604 -18.4604 -16.0340 -16.0340 -16.0313 -16.0313 -15.9247 -15.9247 -15.9133 -15.9133 -15.8716 -15.8716 -15.8654 -15.8654 -12.1272 -12.1272 -12.0877 -12.0877 -7.7018 -7.7018 -7.6860 -7.6860 -5.4522 -5.4522 -5.3566 -5.3566 -4.0892 -4.0892 -4.0541 -4.0541 -2.5104 -2.5104 -2.4186 -2.4186 2.3973 2.3973 2.5410 2.5410 3.6926 3.6926 3.8729 3.8729 k = 0.4909-0.4858 0.0000 ( 14348 PWs) bands (ev): -18.4901 -18.4901 -18.4837 -18.4837 -18.4683 -18.4683 -18.4604 -18.4604 -16.0341 -16.0341 -16.0309 -16.0309 -15.9248 -15.9248 -15.9133 -15.9133 -15.8716 -15.8716 -15.8655 -15.8655 -12.1293 -12.1293 -12.0877 -12.0877 -7.7034 -7.7034 -7.6900 -7.6900 -5.4509 -5.4508 -5.3496 -5.3495 -4.0864 -4.0858 -4.0489 -4.0483 -2.5125 -2.5125 -2.4176 -2.4176 2.3872 2.3874 2.5452 2.5454 3.6852 3.6861 3.8739 3.8749 k = 0.4818-0.4768 0.0000 ( 14354 PWs) bands (ev): -18.4901 -18.4901 -18.4836 -18.4835 -18.4683 -18.4683 -18.4604 -18.4604 -16.0343 -16.0343 -16.0300 -16.0300 -15.9248 -15.9248 -15.9133 -15.9133 -15.8718 -15.8718 -15.8656 -15.8656 -12.1356 -12.1356 -12.0879 -12.0879 -7.7083 -7.7082 -7.7018 -7.7017 -5.4468 -5.4467 -5.3287 -5.3286 -4.0793 -4.0784 -4.0305 -4.0296 -2.5189 -2.5189 -2.4148 -2.4148 2.3601 2.3603 2.5550 2.5553 3.6667 3.6681 3.8773 3.8790 k = 0.4727-0.4678 0.0000 ( 14352 PWs) bands (ev): -18.4901 -18.4901 -18.4834 -18.4833 -18.4683 -18.4683 -18.4604 -18.4604 -16.0344 -16.0344 -16.0287 -16.0287 -15.9249 -15.9249 -15.9134 -15.9133 -15.8720 -15.8720 -15.8658 -15.8658 -12.1460 -12.1460 -12.0881 -12.0881 -7.7220 -7.7219 -7.7149 -7.7148 -5.4402 -5.4400 -5.2942 -5.2940 -4.0705 -4.0696 -3.9968 -3.9958 -2.5296 -2.5296 -2.4101 -2.4100 2.3206 2.3208 2.5660 2.5665 3.6419 3.6435 3.8821 3.8838 k = 0.4636-0.4588 0.0000 ( 14352 PWs) bands (ev): -18.4901 -18.4900 -18.4831 -18.4830 -18.4684 -18.4684 -18.4604 -18.4604 -16.0343 -16.0342 -16.0271 -16.0271 -15.9250 -15.9250 -15.9134 -15.9133 -15.8723 -15.8723 -15.8661 -15.8661 -12.1605 -12.1605 -12.0885 -12.0885 -7.7481 -7.7481 -7.7247 -7.7247 -5.4311 -5.4309 -5.2465 -5.2464 -4.0602 -4.0595 -3.9482 -3.9474 -2.5445 -2.5445 -2.4033 -2.4033 2.2716 2.2718 2.5759 2.5764 3.6148 3.6165 3.8874 3.8890 k = 0.4545-0.4498 0.0000 ( 14344 PWs) bands (ev): -18.4900 -18.4899 -18.4827 -18.4827 -18.4684 -18.4684 -18.4605 -18.4605 -16.0339 -16.0339 -16.0253 -16.0253 -15.9252 -15.9252 -15.9134 -15.9133 -15.8727 -15.8727 -15.8664 -15.8664 -12.1791 -12.1791 -12.0889 -12.0889 -7.7806 -7.7806 -7.7360 -7.7360 -5.4195 -5.4193 -5.1866 -5.1864 -4.0481 -4.0474 -3.8862 -3.8855 -2.5633 -2.5633 -2.3946 -2.3945 2.2146 2.2148 2.5836 2.5842 3.5876 3.5893 3.8933 3.8947 k = 0.4455-0.4408 0.0000 ( 14340 PWs) bands (ev): -18.4899 -18.4899 -18.4823 -18.4822 -18.4685 -18.4685 -18.4605 -18.4605 -16.0334 -16.0333 -16.0233 -16.0232 -15.9254 -15.9253 -15.9134 -15.9133 -15.8732 -15.8732 -15.8669 -15.8668 -12.2015 -12.2015 -12.0895 -12.0895 -7.8185 -7.8185 -7.7484 -7.7484 -5.4056 -5.4055 -5.1152 -5.1150 -4.0336 -4.0331 -3.8121 -3.8115 -2.5859 -2.5859 -2.3838 -2.3837 2.1506 2.1508 2.5893 2.5899 3.5612 3.5627 3.8997 3.9008 k = 0.4364-0.4318 0.0000 ( 14354 PWs) bands (ev): -18.4898 -18.4897 -18.4818 -18.4818 -18.4686 -18.4686 -18.4605 -18.4605 -16.0326 -16.0325 -16.0211 -16.0210 -15.9256 -15.9255 -15.9134 -15.9133 -15.8737 -15.8737 -15.8674 -15.8673 -12.2276 -12.2276 -12.0902 -12.0902 -7.8607 -7.8606 -7.7611 -7.7610 -5.3894 -5.3893 -5.0334 -5.0332 -4.0168 -4.0163 -3.7271 -3.7266 -2.6118 -2.6118 -2.3710 -2.3709 2.0803 2.0804 2.5932 2.5939 3.5352 3.5367 3.9068 3.9077 k = 0.4273-0.4228 0.0000 ( 14352 PWs) bands (ev): -18.4897 -18.4896 -18.4813 -18.4812 -18.4686 -18.4686 -18.4606 -18.4606 -16.0315 -16.0315 -16.0187 -16.0186 -15.9258 -15.9258 -15.9134 -15.9134 -15.8744 -15.8744 -15.8679 -15.8679 -12.2572 -12.2572 -12.0910 -12.0910 -7.9063 -7.9062 -7.7735 -7.7734 -5.3710 -5.3709 -4.9421 -4.9420 -3.9973 -3.9969 -3.6327 -3.6322 -2.6406 -2.6406 -2.3561 -2.3560 2.0043 2.0045 2.5959 2.5966 3.5089 3.5103 3.9147 3.9154 k = 0.4182-0.4138 0.0000 ( 14338 PWs) bands (ev): -18.4895 -18.4894 -18.4807 -18.4807 -18.4687 -18.4687 -18.4606 -18.4606 -16.0302 -16.0302 -16.0161 -16.0161 -15.9260 -15.9260 -15.9134 -15.9134 -15.8751 -15.8751 -15.8686 -15.8686 -12.2902 -12.2902 -12.0921 -12.0921 -7.9543 -7.9543 -7.7850 -7.7850 -5.3504 -5.3503 -4.8424 -4.8423 -3.9750 -3.9746 -3.5302 -3.5297 -2.6716 -2.6716 -2.3393 -2.3391 1.9237 1.9238 2.5979 2.5986 3.4812 3.4823 3.9235 3.9239 k = 0.4091-0.4048 0.0000 ( 14336 PWs) bands (ev): -18.4893 -18.4892 -18.4801 -18.4801 -18.4689 -18.4689 -18.4607 -18.4607 -16.0288 -16.0287 -16.0134 -16.0134 -15.9263 -15.9262 -15.9134 -15.9134 -15.8759 -15.8759 -15.8693 -15.8693 -12.3262 -12.3262 -12.0935 -12.0935 -8.0040 -8.0040 -7.7951 -7.7951 -5.3277 -5.3276 -4.7356 -4.7355 -3.9496 -3.9493 -3.4217 -3.4212 -2.7037 -2.7037 -2.3203 -2.3202 1.8390 1.8391 2.5994 2.6001 3.4505 3.4515 3.9331 3.9335 k = 0.4000-0.3958 0.0000 ( 14332 PWs) bands (ev): -18.4891 -18.4890 -18.4795 -18.4794 -18.4690 -18.4690 -18.4607 -18.4607 -16.0271 -16.0271 -16.0106 -16.0105 -15.9265 -15.9265 -15.9134 -15.9134 -15.8768 -15.8768 -15.8701 -15.8701 -12.3652 -12.3652 -12.0951 -12.0951 -8.0545 -8.0545 -7.8035 -7.8034 -5.3029 -5.3028 -4.6228 -4.6227 -3.9207 -3.9204 -3.3097 -3.3093 -2.7349 -2.7349 -2.2992 -2.2990 1.7512 1.7513 2.6008 2.6015 3.4154 3.4163 3.9436 3.9438 k = 0.3909-0.3868 0.0000 ( 14322 PWs) bands (ev): -18.4889 -18.4888 -18.4788 -18.4788 -18.4691 -18.4691 -18.4608 -18.4608 -16.0253 -16.0252 -16.0076 -16.0076 -15.9268 -15.9267 -15.9134 -15.9134 -15.8777 -15.8777 -15.8709 -15.8709 -12.4067 -12.4067 -12.0971 -12.0971 -8.1050 -8.1050 -7.8096 -7.8095 -5.2761 -5.2760 -4.5056 -4.5055 -3.8878 -3.8875 -3.1993 -3.1989 -2.7612 -2.7612 -2.2758 -2.2756 1.6610 1.6611 2.6020 2.6028 3.3747 3.3754 3.9545 3.9547 k = 0.3818-0.3778 0.0000 ( 14332 PWs) bands (ev): -18.4886 -18.4886 -18.4782 -18.4781 -18.4693 -18.4693 -18.4609 -18.4608 -16.0233 -16.0232 -16.0046 -16.0045 -15.9270 -15.9270 -15.9134 -15.9133 -15.8788 -15.8787 -15.8718 -15.8718 -12.4507 -12.4507 -12.0994 -12.0994 -8.1549 -8.1549 -7.8131 -7.8131 -5.2473 -5.2473 -4.3859 -4.3858 -3.8497 -3.8495 -3.1017 -3.1014 -2.7721 -2.7720 -2.2499 -2.2497 1.5694 1.5695 2.6032 2.6039 3.3270 3.3277 3.9652 3.9653 k = 0.3727-0.3688 0.0000 ( 14332 PWs) bands (ev): -18.4884 -18.4883 -18.4775 -18.4775 -18.4694 -18.4694 -18.4609 -18.4609 -16.0211 -16.0211 -16.0014 -16.0014 -15.9273 -15.9272 -15.9134 -15.9133 -15.8798 -15.8798 -15.8728 -15.8728 -12.4968 -12.4968 -12.1021 -12.1021 -8.2037 -8.2036 -7.8139 -7.8139 -5.2166 -5.2166 -4.2665 -4.2665 -3.8046 -3.8045 -3.0399 -3.0397 -2.7454 -2.7452 -2.2211 -2.2209 1.4771 1.4772 2.6039 2.6046 3.2716 3.2721 3.9744 3.9745 k = 0.3636-0.3598 0.0000 ( 14342 PWs) bands (ev): -18.4881 -18.4880 -18.4768 -18.4768 -18.4696 -18.4696 -18.4610 -18.4610 -16.0189 -16.0189 -15.9982 -15.9982 -15.9275 -15.9274 -15.9134 -15.9133 -15.8810 -15.8809 -15.8738 -15.8738 -12.5447 -12.5447 -12.1053 -12.1053 -8.2506 -8.2506 -7.8118 -7.8118 -5.1841 -5.1840 -4.1514 -4.1514 -3.7499 -3.7498 -3.0278 -3.0277 -2.6685 -2.6681 -2.1887 -2.1883 1.3849 1.3850 2.6036 2.6044 3.2079 3.2084 3.9798 3.9799 k = 0.3545-0.3508 0.0000 ( 14356 PWs) bands (ev): -18.4878 -18.4877 -18.4762 -18.4762 -18.4697 -18.4697 -18.4611 -18.4610 -16.0166 -16.0166 -15.9950 -15.9950 -15.9276 -15.9276 -15.9133 -15.9133 -15.8822 -15.8821 -15.8748 -15.8748 -12.5942 -12.5942 -12.1090 -12.1090 -8.2954 -8.2954 -7.8066 -7.8066 -5.1497 -5.1496 -4.0459 -4.0458 -3.6820 -3.6819 -3.0457 -3.0457 -2.5622 -2.5616 -2.1511 -2.1507 1.2938 1.2939 2.6018 2.6025 3.1361 3.1365 3.9777 3.9778 k = 0.3455-0.3418 0.0000 ( 14360 PWs) bands (ev): -18.4875 -18.4875 -18.4755 -18.4755 -18.4699 -18.4699 -18.4612 -18.4611 -16.0143 -16.0143 -15.9917 -15.9916 -15.9278 -15.9277 -15.9133 -15.9132 -15.8834 -15.8834 -15.8759 -15.8759 -12.6451 -12.6450 -12.1131 -12.1131 -8.3376 -8.3375 -7.7982 -7.7982 -5.1136 -5.1135 -3.9546 -3.9545 -3.5991 -3.5990 -3.0732 -3.0731 -2.4487 -2.4480 -2.1056 -2.1051 1.2048 1.2049 2.5971 2.5979 3.0571 3.0575 3.9635 3.9635 k = 0.3364-0.3328 0.0000 ( 14354 PWs) bands (ev): -18.4873 -18.4872 -18.4749 -18.4749 -18.4701 -18.4701 -18.4612 -18.4612 -16.0120 -16.0120 -15.9883 -15.9883 -15.9278 -15.9278 -15.9132 -15.9132 -15.8847 -15.8847 -15.8771 -15.8770 -12.6970 -12.6970 -12.1179 -12.1179 -8.3767 -8.3767 -7.7866 -7.7866 -5.0759 -5.0758 -3.8787 -3.8785 -3.5066 -3.5065 -3.0966 -3.0966 -2.3416 -2.3409 -2.0474 -2.0468 1.1189 1.1190 2.5878 2.5886 2.9728 2.9732 3.9326 3.9327 k = 0.3273-0.3238 0.0000 ( 14350 PWs) bands (ev): -18.4870 -18.4869 -18.4743 -18.4743 -18.4702 -18.4702 -18.4613 -18.4612 -16.0097 -16.0097 -15.9849 -15.9849 -15.9279 -15.9278 -15.9132 -15.9131 -15.8860 -15.8860 -15.8782 -15.8782 -12.7498 -12.7498 -12.1232 -12.1232 -8.4127 -8.4126 -7.7717 -7.7717 -5.0365 -5.0365 -3.8150 -3.8148 -3.4235 -3.4233 -3.0978 -3.0977 -2.2512 -2.2504 -1.9711 -1.9705 1.0375 1.0375 2.5707 2.5715 2.8867 2.8871 3.8834 3.8836 k = 0.3182-0.3148 0.0000 ( 14356 PWs) bands (ev): -18.4867 -18.4866 -18.4738 -18.4738 -18.4704 -18.4703 -18.4614 -18.4613 -16.0076 -16.0075 -15.9815 -15.9815 -15.9279 -15.9278 -15.9131 -15.9130 -15.8874 -15.8873 -15.8794 -15.8793 -12.8031 -12.8031 -12.1291 -12.1291 -8.4450 -8.4450 -7.7535 -7.7535 -4.9957 -4.9957 -3.7595 -3.7594 -3.3808 -3.3806 -3.0488 -3.0486 -2.1806 -2.1800 -1.8766 -1.8761 0.9620 0.9621 2.5406 2.5414 2.8046 2.8050 3.8177 3.8179 k = 0.3091-0.3058 0.0000 ( 14366 PWs) bands (ev): -18.4865 -18.4864 -18.4733 -18.4733 -18.4705 -18.4704 -18.4614 -18.4614 -16.0055 -16.0055 -15.9781 -15.9781 -15.9278 -15.9277 -15.9129 -15.9129 -15.8887 -15.8887 -15.8805 -15.8805 -12.8569 -12.8569 -12.1356 -12.1356 -8.4737 -8.4737 -7.7321 -7.7321 -4.9535 -4.9535 -3.7093 -3.7092 -3.3849 -3.3847 -2.9463 -2.9461 -2.1255 -2.1250 -1.7717 -1.7713 0.8944 0.8945 2.4905 2.4914 2.7340 2.7343 3.7394 3.7396 k = 0.3000-0.2969 0.0000 ( 14384 PWs) bands (ev): -18.4863 -18.4862 -18.4729 -18.4729 -18.4705 -18.4705 -18.4615 -18.4615 -16.0037 -16.0036 -15.9746 -15.9746 -15.9277 -15.9276 -15.9128 -15.9127 -15.8901 -15.8901 -15.8817 -15.8816 -12.9108 -12.9108 -12.1427 -12.1427 -8.4984 -8.4984 -7.7075 -7.7075 -4.9100 -4.9100 -3.6630 -3.6629 -3.4127 -3.4125 -2.8148 -2.8147 -2.0798 -2.0793 -1.6656 -1.6653 0.8368 0.8369 2.4177 2.4185 2.6784 2.6787 3.6535 3.6537 k = 0.2909-0.2879 0.0000 ( 14378 PWs) bands (ev): -18.4861 -18.4860 -18.4727 -18.4727 -18.4705 -18.4704 -18.4616 -18.4615 -16.0020 -16.0020 -15.9711 -15.9711 -15.9276 -15.9275 -15.9126 -15.9125 -15.8915 -15.8915 -15.8828 -15.8828 -12.9646 -12.9646 -12.1505 -12.1505 -8.5192 -8.5191 -7.6798 -7.6798 -4.8654 -4.8654 -3.6217 -3.6217 -3.4472 -3.4470 -2.6711 -2.6709 -2.0394 -2.0391 -1.5656 -1.5654 0.7913 0.7914 2.3280 2.3286 2.6329 2.6331 3.5647 3.5648 k = 0.2818-0.2789 0.0000 ( 14380 PWs) bands (ev): -18.4859 -18.4858 -18.4726 -18.4725 -18.4703 -18.4703 -18.4617 -18.4616 -16.0006 -16.0005 -15.9676 -15.9676 -15.9274 -15.9273 -15.9124 -15.9123 -15.8929 -15.8929 -15.8839 -15.8839 -13.0182 -13.0182 -12.1588 -12.1588 -8.5357 -8.5357 -7.6489 -7.6489 -4.8198 -4.8197 -3.5929 -3.5929 -3.4743 -3.4740 -2.5224 -2.5222 -2.0026 -2.0023 -1.4773 -1.4772 0.7601 0.7602 2.2300 2.2305 2.5899 2.5900 3.4769 3.4770 k = 0.2727-0.2699 0.0000 ( 14394 PWs) bands (ev): -18.4857 -18.4856 -18.4726 -18.4726 -18.4701 -18.4700 -18.4618 -18.4617 -15.9994 -15.9994 -15.9641 -15.9641 -15.9272 -15.9271 -15.9121 -15.9121 -15.8943 -15.8942 -15.8849 -15.8849 -13.0713 -13.0713 -12.1677 -12.1677 -8.5481 -8.5481 -7.6150 -7.6150 -4.7732 -4.7732 -3.5958 -3.5958 -3.4718 -3.4715 -2.3730 -2.3729 -1.9684 -1.9681 -1.4046 -1.4044 0.7449 0.7450 2.1306 2.1311 2.5446 2.5447 3.3931 3.3932 k = 0.2636-0.2609 0.0000 ( 14400 PWs) bands (ev): -18.4856 -18.4855 -18.4727 -18.4727 -18.4698 -18.4697 -18.4618 -18.4618 -15.9985 -15.9984 -15.9607 -15.9607 -15.9270 -15.9270 -15.9119 -15.9119 -15.8957 -15.8956 -15.8859 -15.8858 -13.1239 -13.1239 -12.1771 -12.1771 -8.5563 -8.5563 -7.5782 -7.5782 -4.7260 -4.7260 -3.6278 -3.6278 -3.4408 -3.4406 -2.2264 -2.2262 -1.9360 -1.9359 -1.3498 -1.3498 0.7457 0.7458 2.0353 2.0358 2.4950 2.4951 3.3155 3.3156 k = 0.2545-0.2519 0.0000 ( 14402 PWs) bands (ev): -18.4855 -18.4854 -18.4729 -18.4728 -18.4694 -18.4694 -18.4619 -18.4618 -15.9978 -15.9978 -15.9573 -15.9573 -15.9268 -15.9268 -15.9117 -15.9117 -15.8970 -15.8970 -15.8867 -15.8866 -13.1756 -13.1756 -12.1870 -12.1870 -8.5603 -8.5602 -7.5386 -7.5386 -4.6783 -4.6783 -3.6696 -3.6696 -3.3999 -3.3997 -2.0878 -2.0876 -1.9034 -1.9033 -1.3138 -1.3137 0.7604 0.7605 1.9490 1.9494 2.4413 2.4414 3.2453 3.2454 k = 0.2455-0.2429 0.0000 ( 14412 PWs) bands (ev): -18.4855 -18.4854 -18.4730 -18.4730 -18.4691 -18.4691 -18.4620 -18.4619 -15.9974 -15.9973 -15.9540 -15.9539 -15.9266 -15.9266 -15.9115 -15.9115 -15.8983 -15.8982 -15.8874 -15.8873 -13.2265 -13.2265 -12.1973 -12.1973 -8.5601 -8.5601 -7.4962 -7.4962 -4.6303 -4.6303 -3.7137 -3.7137 -3.3558 -3.3556 -1.9737 -1.9735 -1.8575 -1.8575 -1.2949 -1.2948 0.7840 0.7841 1.8775 1.8779 2.3854 2.3855 3.1827 3.1828 k = 0.2364-0.2339 0.0000 ( 14420 PWs) bands (ev): -18.4855 -18.4854 -18.4732 -18.4732 -18.4688 -18.4688 -18.4621 -18.4620 -15.9972 -15.9972 -15.9508 -15.9507 -15.9264 -15.9264 -15.9115 -15.9114 -15.8995 -15.8995 -15.8879 -15.8878 -13.2763 -13.2763 -12.2081 -12.2081 -8.5558 -8.5558 -7.4512 -7.4511 -4.5823 -4.5823 -3.7578 -3.7577 -3.3105 -3.3103 -1.9192 -1.9190 -1.7677 -1.7677 -1.2895 -1.2894 0.8086 0.8087 1.8273 1.8277 2.3304 2.3305 3.1272 3.1273 k = 0.2273-0.2249 0.0000 ( 14426 PWs) bands (ev): -18.4855 -18.4854 -18.4735 -18.4734 -18.4686 -18.4685 -18.4622 -18.4621 -15.9972 -15.9972 -15.9477 -15.9477 -15.9263 -15.9263 -15.9115 -15.9114 -15.9007 -15.9006 -15.8882 -15.8881 -13.3249 -13.3249 -12.2192 -12.2192 -8.5475 -8.5475 -7.4037 -7.4036 -4.5347 -4.5347 -3.8007 -3.8006 -3.2646 -3.2645 -1.9064 -1.9062 -1.6569 -1.6569 -1.2924 -1.2924 0.8252 0.8253 1.8045 1.8049 2.2807 2.2808 3.0782 3.0782 k = 0.2182-0.2159 0.0000 ( 14430 PWs) bands (ev): -18.4855 -18.4854 -18.4737 -18.4736 -18.4684 -18.4683 -18.4623 -18.4622 -15.9975 -15.9975 -15.9449 -15.9448 -15.9261 -15.9261 -15.9116 -15.9116 -15.9018 -15.9017 -15.8882 -15.8882 -13.3722 -13.3722 -12.2305 -12.2305 -8.5354 -8.5353 -7.3538 -7.3538 -4.4879 -4.4879 -3.8416 -3.8415 -3.2187 -3.2185 -1.9141 -1.9140 -1.5520 -1.5520 -1.2979 -1.2979 0.8264 0.8265 1.8116 1.8119 2.2419 2.2420 3.0350 3.0350 k = 0.2091-0.2069 0.0000 ( 14428 PWs) bands (ev): -18.4856 -18.4855 -18.4739 -18.4739 -18.4682 -18.4681 -18.4624 -18.4623 -15.9980 -15.9979 -15.9423 -15.9423 -15.9258 -15.9258 -15.9119 -15.9119 -15.9027 -15.9027 -15.8881 -15.8880 -13.4181 -13.4181 -12.2420 -12.2420 -8.5195 -8.5195 -7.3017 -7.3017 -4.4425 -4.4425 -3.8798 -3.8797 -3.1730 -3.1728 -1.9394 -1.9392 -1.4616 -1.4616 -1.3002 -1.3002 0.8104 0.8104 1.8438 1.8441 2.2213 2.2213 2.9975 2.9976 k = 0.2000-0.1979 0.0000 ( 14432 PWs) bands (ev): -18.4857 -18.4856 -18.4741 -18.4741 -18.4680 -18.4680 -18.4625 -18.4624 -15.9986 -15.9986 -15.9401 -15.9400 -15.9255 -15.9255 -15.9124 -15.9124 -15.9036 -15.9035 -15.8877 -15.8877 -13.4625 -13.4625 -12.2537 -12.2537 -8.5001 -8.5001 -7.2477 -7.2477 -4.3994 -4.3994 -3.9142 -3.9141 -3.1276 -3.1274 -1.9815 -1.9814 -1.3913 -1.3912 -1.2947 -1.2947 0.7803 0.7803 1.8886 1.8889 2.2277 2.2277 2.9663 2.9664 k = 0.1909-0.1889 0.0000 ( 14432 PWs) bands (ev): -18.4859 -18.4858 -18.4743 -18.4743 -18.4679 -18.4678 -18.4626 -18.4625 -15.9994 -15.9993 -15.9382 -15.9382 -15.9251 -15.9251 -15.9130 -15.9130 -15.9042 -15.9042 -15.8871 -15.8871 -13.5053 -13.5053 -12.2654 -12.2654 -8.4774 -8.4774 -7.1918 -7.1918 -4.3598 -4.3598 -3.9437 -3.9436 -3.0828 -3.0826 -2.0389 -2.0388 -1.3459 -1.3458 -1.2781 -1.2780 0.7414 0.7414 1.9329 1.9331 2.2674 2.2674 2.9431 2.9432 k = 0.1818-0.1799 0.0000 ( 14434 PWs) bands (ev): -18.4860 -18.4859 -18.4745 -18.4745 -18.4678 -18.4677 -18.4627 -18.4626 -16.0003 -16.0002 -15.9368 -15.9367 -15.9246 -15.9246 -15.9137 -15.9137 -15.9047 -15.9047 -15.8864 -15.8864 -13.5464 -13.5464 -12.2771 -12.2771 -8.4516 -8.4515 -7.1342 -7.1342 -4.3256 -4.3256 -3.9664 -3.9663 -3.0388 -3.0386 -2.1092 -2.1091 -1.3224 -1.3223 -1.2554 -1.2554 0.6985 0.6986 1.9731 1.9732 2.3348 2.3349 2.9314 2.9315 k = 0.1727-0.1709 0.0000 ( 14420 PWs) bands (ev): -18.4862 -18.4861 -18.4747 -18.4747 -18.4677 -18.4677 -18.4628 -18.4627 -16.0013 -16.0013 -15.9358 -15.9357 -15.9241 -15.9240 -15.9145 -15.9145 -15.9050 -15.9050 -15.8855 -15.8855 -13.5858 -13.5858 -12.2887 -12.2887 -8.4229 -8.4229 -7.0753 -7.0753 -4.2991 -4.2991 -3.9800 -3.9799 -2.9957 -2.9956 -2.1893 -2.1893 -1.3134 -1.3133 -1.2359 -1.2359 0.6549 0.6549 2.0150 2.0151 2.4128 2.4130 2.9373 2.9374 k = 0.1636-0.1619 0.0000 ( 14434 PWs) bands (ev): -18.4864 -18.4863 -18.4749 -18.4749 -18.4677 -18.4676 -18.4629 -18.4629 -16.0024 -16.0024 -15.9352 -15.9351 -15.9235 -15.9234 -15.9154 -15.9154 -15.9051 -15.9051 -15.8845 -15.8845 -13.6235 -13.6235 -12.3001 -12.3001 -8.3917 -8.3917 -7.0153 -7.0153 -4.2826 -4.2825 -3.9823 -3.9823 -2.9538 -2.9536 -2.2767 -2.2766 -1.3208 -1.3208 -1.2181 -1.2181 0.6120 0.6121 2.0649 2.0649 2.4819 2.4821 2.9688 2.9689 k = 0.1545-0.1529 0.0000 ( 14426 PWs) bands (ev): -18.4866 -18.4865 -18.4751 -18.4751 -18.4677 -18.4676 -18.4630 -18.4630 -16.0036 -16.0036 -15.9349 -15.9348 -15.9230 -15.9229 -15.9163 -15.9162 -15.9049 -15.9049 -15.8835 -15.8834 -13.6592 -13.6592 -12.3113 -12.3113 -8.3583 -8.3583 -6.9544 -6.9544 -4.2766 -4.2766 -3.9729 -3.9728 -2.9132 -2.9131 -2.3688 -2.3687 -1.3482 -1.3482 -1.1977 -1.1977 0.5705 0.5706 2.1247 2.1248 2.5300 2.5302 3.0295 3.0296 k = 0.1455-0.1439 0.0000 ( 14418 PWs) bands (ev): -18.4868 -18.4868 -18.4753 -18.4753 -18.4677 -18.4676 -18.4632 -18.4631 -16.0048 -16.0048 -15.9348 -15.9347 -15.9226 -15.9225 -15.9172 -15.9172 -15.9046 -15.9046 -15.8824 -15.8823 -13.6931 -13.6931 -12.3222 -12.3222 -8.3229 -8.3229 -6.8931 -6.8931 -4.2796 -4.2796 -3.9533 -3.9533 -2.8743 -2.8741 -2.4636 -2.4635 -1.3942 -1.3942 -1.1742 -1.1741 0.5305 0.5306 2.1926 2.1927 2.5589 2.5591 3.1114 3.1114 k = 0.1364-0.1349 0.0000 ( 14424 PWs) bands (ev): -18.4871 -18.4870 -18.4755 -18.4755 -18.4677 -18.4677 -18.4633 -18.4632 -16.0061 -16.0061 -15.9348 -15.9347 -15.9224 -15.9223 -15.9181 -15.9181 -15.9041 -15.9040 -15.8812 -15.8812 -13.7250 -13.7250 -12.3327 -12.3327 -8.2861 -8.2861 -6.8316 -6.8316 -4.2886 -4.2886 -3.9269 -3.9269 -2.8371 -2.8369 -2.5595 -2.5595 -1.4550 -1.4550 -1.1488 -1.1488 0.4920 0.4921 2.2624 2.2625 2.5805 2.5807 3.1959 3.1960 k = 0.1273-0.1259 0.0000 ( 14438 PWs) bands (ev): -18.4873 -18.4873 -18.4757 -18.4756 -18.4678 -18.4677 -18.4634 -18.4633 -16.0074 -16.0074 -15.9350 -15.9349 -15.9224 -15.9223 -15.9190 -15.9189 -15.9034 -15.9034 -15.8801 -15.8801 -13.7550 -13.7550 -12.3428 -12.3428 -8.2481 -8.2481 -6.7703 -6.7703 -4.3007 -4.3006 -3.8966 -3.8966 -2.8021 -2.8019 -2.6550 -2.6549 -1.5268 -1.5268 -1.1228 -1.1227 0.4550 0.4550 2.3231 2.3232 2.6100 2.6102 3.2583 3.2584 k = 0.1182-0.1169 0.0000 ( 14432 PWs) bands (ev): -18.4876 -18.4875 -18.4758 -18.4758 -18.4678 -18.4678 -18.4635 -18.4634 -16.0087 -16.0086 -15.9352 -15.9352 -15.9224 -15.9224 -15.9198 -15.9198 -15.9027 -15.9027 -15.8790 -15.8789 -13.7829 -13.7829 -12.3524 -12.3524 -8.2094 -8.2094 -6.7097 -6.7097 -4.3138 -4.3137 -3.8647 -3.8647 -2.7717 -2.7708 -2.7471 -2.7462 -1.6063 -1.6063 -1.0969 -1.0968 0.4196 0.4197 2.3629 2.3630 2.6606 2.6607 3.2804 3.2805 k = 0.1091-0.1079 0.0000 ( 14428 PWs) bands (ev): -18.4878 -18.4878 -18.4760 -18.4760 -18.4679 -18.4679 -18.4636 -18.4635 -16.0099 -16.0099 -15.9355 -15.9354 -15.9226 -15.9226 -15.9206 -15.9206 -15.9019 -15.9019 -15.8778 -15.8778 -13.8089 -13.8089 -12.3615 -12.3615 -8.1704 -8.1704 -6.6503 -6.6503 -4.3266 -4.3265 -3.8328 -3.8328 -2.8410 -2.8409 -2.7377 -2.7376 -1.6904 -1.6904 -1.0716 -1.0716 0.3861 0.3862 2.3797 2.3798 2.7326 2.7327 3.2737 3.2738 k = 0.1000-0.0990 0.0000 ( 14426 PWs) bands (ev): -18.4881 -18.4880 -18.4761 -18.4761 -18.4680 -18.4680 -18.4637 -18.4637 -16.0112 -16.0111 -15.9358 -15.9357 -15.9229 -15.9229 -15.9214 -15.9213 -15.9012 -15.9012 -15.8768 -15.8768 -13.8328 -13.8328 -12.3700 -12.3700 -8.1317 -8.1317 -6.5926 -6.5926 -4.3382 -4.3382 -3.8021 -3.8021 -2.9278 -2.9277 -2.7103 -2.7103 -1.7764 -1.7764 -1.0475 -1.0475 0.3547 0.3547 2.3812 2.3813 2.8152 2.8153 3.2559 3.2560 k = 0.0909-0.0900 0.0000 ( 14422 PWs) bands (ev): -18.4883 -18.4882 -18.4763 -18.4762 -18.4681 -18.4681 -18.4638 -18.4638 -16.0123 -16.0123 -15.9361 -15.9360 -15.9232 -15.9232 -15.9221 -15.9220 -15.9005 -15.9005 -15.8758 -15.8758 -13.8547 -13.8547 -12.3779 -12.3779 -8.0938 -8.0938 -6.5372 -6.5372 -4.3483 -4.3483 -3.7733 -3.7733 -3.0098 -3.0097 -2.6861 -2.6861 -1.8619 -1.8619 -1.0248 -1.0248 0.3256 0.3256 2.3749 2.3750 2.8966 2.8968 3.2349 3.2350 k = 0.0818-0.0810 0.0000 ( 14430 PWs) bands (ev): -18.4885 -18.4885 -18.4764 -18.4764 -18.4682 -18.4682 -18.4639 -18.4639 -16.0135 -16.0135 -15.9364 -15.9364 -15.9236 -15.9236 -15.9227 -15.9226 -15.8999 -15.8999 -15.8748 -15.8748 -13.8745 -13.8745 -12.3851 -12.3851 -8.0571 -8.0571 -6.4845 -6.4845 -4.3565 -4.3565 -3.7474 -3.7474 -3.0856 -3.0856 -2.6654 -2.6654 -1.9446 -1.9446 -1.0038 -1.0037 0.2989 0.2989 2.3651 2.3652 2.9679 2.9681 3.2139 3.2141 k = 0.0727-0.0720 0.0000 ( 14428 PWs) bands (ev): -18.4887 -18.4887 -18.4765 -18.4765 -18.4683 -18.4683 -18.4640 -18.4639 -16.0145 -16.0145 -15.9367 -15.9366 -15.9240 -15.9240 -15.9232 -15.9231 -15.8993 -15.8993 -15.8739 -15.8739 -13.8922 -13.8922 -12.3917 -12.3917 -8.0223 -8.0223 -6.4352 -6.4352 -4.3627 -4.3627 -3.7249 -3.7248 -3.1543 -3.1543 -2.6489 -2.6489 -2.0223 -2.0223 -0.9846 -0.9845 0.2749 0.2749 2.3541 2.3541 3.0229 3.0233 3.1943 3.1944 k = 0.0636-0.0630 0.0000 ( 14432 PWs) bands (ev): -18.4889 -18.4888 -18.4766 -18.4766 -18.4684 -18.4684 -18.4641 -18.4640 -16.0154 -16.0154 -15.9370 -15.9369 -15.9244 -15.9244 -15.9236 -15.9236 -15.8988 -15.8988 -15.8732 -15.8732 -13.9078 -13.9078 -12.3976 -12.3976 -7.9898 -7.9898 -6.3900 -6.3900 -4.3670 -4.3670 -3.7064 -3.7064 -3.2147 -3.2147 -2.6371 -2.6371 -2.0928 -2.0928 -0.9674 -0.9674 0.2536 0.2536 2.3429 2.3430 3.0602 3.0605 3.1767 3.1768 k = 0.0545-0.0540 0.0000 ( 14430 PWs) bands (ev): -18.4890 -18.4890 -18.4767 -18.4767 -18.4685 -18.4685 -18.4641 -18.4641 -16.0163 -16.0163 -15.9372 -15.9372 -15.9248 -15.9248 -15.9240 -15.9239 -15.8983 -15.8983 -15.8725 -15.8725 -13.9214 -13.9214 -12.4027 -12.4027 -7.9603 -7.9603 -6.3494 -6.3494 -4.3696 -4.3696 -3.6925 -3.6924 -3.2660 -3.2660 -2.6304 -2.6304 -2.1543 -2.1543 -0.9524 -0.9524 0.2351 0.2351 2.3325 2.3325 3.0821 3.0824 3.1615 3.1616 k = 0.0455-0.0450 0.0000 ( 14434 PWs) bands (ev): -18.4892 -18.4892 -18.4768 -18.4768 -18.4685 -18.4685 -18.4642 -18.4641 -16.0170 -16.0170 -15.9374 -15.9374 -15.9252 -15.9252 -15.9243 -15.9242 -15.8980 -15.8980 -15.8719 -15.8719 -13.9329 -13.9329 -12.4071 -12.4071 -7.9342 -7.9342 -6.3139 -6.3139 -4.3708 -4.3708 -3.6833 -3.6833 -3.3075 -3.3075 -2.6290 -2.6290 -2.2051 -2.2051 -0.9396 -0.9396 0.2195 0.2195 2.3232 2.3232 3.0929 3.0932 3.1492 3.1493 k = 0.0364-0.0360 0.0000 ( 14440 PWs) bands (ev): -18.4893 -18.4893 -18.4768 -18.4768 -18.4686 -18.4686 -18.4642 -18.4642 -16.0176 -16.0176 -15.9376 -15.9376 -15.9255 -15.9255 -15.9245 -15.9245 -15.8977 -15.8977 -15.8714 -15.8714 -13.9422 -13.9422 -12.4107 -12.4107 -7.9121 -7.9121 -6.2841 -6.2841 -4.3710 -4.3710 -3.6785 -3.6785 -3.3391 -3.3391 -2.6323 -2.6323 -2.2445 -2.2445 -0.9290 -0.9290 0.2067 0.2067 2.3152 2.3153 3.0969 3.0971 3.1398 3.1399 k = 0.0273-0.0270 0.0000 ( 14437 PWs) bands (ev): -18.4894 -18.4894 -18.4769 -18.4769 -18.4687 -18.4687 -18.4643 -18.4642 -16.0181 -16.0181 -15.9377 -15.9377 -15.9258 -15.9257 -15.9247 -15.9247 -15.8974 -15.8974 -15.8710 -15.8710 -13.9495 -13.9495 -12.4135 -12.4135 -7.8945 -7.8945 -6.2604 -6.2604 -4.3705 -4.3705 -3.6773 -3.6773 -3.3616 -3.3616 -2.6387 -2.6387 -2.2728 -2.2728 -0.9208 -0.9208 0.1968 0.1969 2.3089 2.3089 3.0970 3.0972 3.1332 3.1333 k = 0.0182-0.0180 0.0000 ( 14435 PWs) bands (ev): -18.4895 -18.4895 -18.4769 -18.4769 -18.4687 -18.4687 -18.4643 -18.4643 -16.0185 -16.0185 -15.9378 -15.9378 -15.9259 -15.9259 -15.9248 -15.9248 -15.8973 -15.8973 -15.8707 -15.8707 -13.9548 -13.9548 -12.4155 -12.4155 -7.8815 -7.8815 -6.2433 -6.2433 -4.3698 -4.3698 -3.6782 -3.6782 -3.3761 -3.3761 -2.6459 -2.6459 -2.2913 -2.2913 -0.9149 -0.9149 0.1898 0.1898 2.3043 2.3043 3.0956 3.0957 3.1289 3.1290 k = 0.0091-0.0090 0.0000 ( 14437 PWs) bands (ev): -18.4895 -18.4895 -18.4769 -18.4769 -18.4687 -18.4687 -18.4643 -18.4643 -16.0187 -16.0187 -15.9379 -15.9379 -15.9260 -15.9260 -15.9249 -15.9249 -15.8972 -15.8972 -15.8705 -15.8705 -13.9579 -13.9579 -12.4167 -12.4167 -7.8737 -7.8737 -6.2329 -6.2329 -4.3692 -4.3692 -3.6795 -3.6794 -3.3840 -3.3840 -2.6515 -2.6515 -2.3015 -2.3015 -0.9114 -0.9114 0.1856 0.1856 2.3015 2.3015 3.0942 3.0942 3.1266 3.1266 k = 0.0000 0.0000 0.0000 ( 14431 PWs) bands (ev): -18.4895 -18.4895 -18.4770 -18.4770 -18.4687 -18.4687 -18.4643 -18.4643 -16.0187 -16.0187 -15.9379 -15.9379 -15.9261 -15.9261 -15.9249 -15.9249 -15.8972 -15.8972 -15.8705 -15.8705 -13.9589 -13.9589 -12.4171 -12.4171 -7.8710 -7.8710 -6.2294 -6.2294 -4.3690 -4.3690 -3.6800 -3.6800 -3.3866 -3.3866 -2.6535 -2.6535 -2.3047 -2.3047 -0.9102 -0.9102 0.1842 0.1842 2.3006 2.3006 3.0937 3.0937 3.1258 3.1258 k = 0.0000 0.0000 0.0000 ( 14431 PWs) bands (ev): -18.4895 -18.4895 -18.4770 -18.4770 -18.4687 -18.4687 -18.4643 -18.4643 -16.0187 -16.0187 -15.9379 -15.9379 -15.9261 -15.9261 -15.9249 -15.9249 -15.8972 -15.8972 -15.8705 -15.8705 -13.9589 -13.9589 -12.4171 -12.4171 -7.8710 -7.8710 -6.2294 -6.2294 -4.3690 -4.3690 -3.6800 -3.6800 -3.3866 -3.3866 -2.6535 -2.6535 -2.3047 -2.3047 -0.9102 -0.9102 0.1842 0.1842 2.3006 2.3006 3.0937 3.0937 3.1258 3.1258 k = 0.0128 0.0001-0.0008 ( 14437 PWs) bands (ev): -18.4896 -18.4894 -18.4770 -18.4768 -18.4689 -18.4686 -18.4643 -18.4643 -16.0188 -16.0186 -15.9380 -15.9378 -15.9261 -15.9260 -15.9249 -15.9249 -15.8972 -15.8972 -15.8705 -15.8705 -13.9580 -13.9578 -12.4169 -12.4165 -7.8738 -7.8738 -6.2330 -6.2329 -4.3701 -4.3685 -3.6789 -3.6779 -3.3864 -3.3836 -2.6512 -2.6498 -2.3036 -2.3008 -0.9114 -0.9114 0.1851 0.1860 2.3013 2.3018 3.0923 3.0959 3.1239 3.1295 k = 0.0256 0.0003-0.0015 ( 14430 PWs) bands (ev): -18.4896 -18.4894 -18.4771 -18.4767 -18.4690 -18.4684 -18.4643 -18.4643 -16.0186 -16.0183 -15.9380 -15.9376 -15.9261 -15.9259 -15.9248 -15.9247 -15.8973 -15.8972 -15.8707 -15.8707 -13.9549 -13.9546 -12.4159 -12.4152 -7.8822 -7.8821 -6.2439 -6.2437 -4.3716 -4.3684 -3.6744 -3.6725 -3.3832 -3.3776 -2.6427 -2.6402 -2.2973 -2.2915 -0.9150 -0.9149 0.1888 0.1906 2.3039 2.3048 3.0919 3.0986 3.1241 3.1349 k = 0.0385 0.0004-0.0023 ( 14427 PWs) bands (ev): -18.4895 -18.4892 -18.4772 -18.4766 -18.4691 -18.4682 -18.4642 -18.4642 -16.0184 -16.0178 -15.9381 -15.9373 -15.9260 -15.9257 -15.9247 -15.9245 -15.8974 -15.8974 -15.8710 -15.8709 -13.9498 -13.9493 -12.4141 -12.4130 -7.8959 -7.8958 -6.2620 -6.2617 -4.3734 -4.3687 -3.6667 -3.6637 -3.3769 -3.3685 -2.6286 -2.6254 -2.2858 -2.2768 -0.9210 -0.9209 0.1953 0.1981 2.3083 2.3096 3.0918 3.1001 3.1270 3.1422 k = 0.0513 0.0005-0.0031 ( 14423 PWs) bands (ev): -18.4895 -18.4891 -18.4772 -18.4764 -18.4692 -18.4680 -18.4642 -18.4642 -16.0180 -16.0172 -15.9380 -15.9371 -15.9259 -15.9254 -15.9244 -15.9242 -15.8976 -15.8975 -15.8714 -15.8713 -13.9426 -13.9419 -12.4115 -12.4101 -7.9149 -7.9148 -6.2870 -6.2867 -4.3749 -4.3689 -3.6557 -3.6516 -3.3677 -3.3564 -2.6093 -2.6062 -2.2692 -2.2563 -0.9295 -0.9293 0.2046 0.2083 2.3143 2.3161 3.0912 3.0989 3.1337 3.1513 k = 0.0641 0.0007-0.0039 ( 14422 PWs) bands (ev): -18.4894 -18.4889 -18.4773 -18.4763 -18.4693 -18.4677 -18.4641 -18.4641 -16.0174 -16.0164 -15.9380 -15.9368 -15.9257 -15.9252 -15.9241 -15.9239 -15.8978 -15.8978 -15.8719 -15.8718 -13.9333 -13.9325 -12.4082 -12.4064 -7.9388 -7.9388 -6.3189 -6.3186 -4.3758 -4.3686 -3.6416 -3.6362 -3.3555 -3.3412 -2.5857 -2.5835 -2.2472 -2.2298 -0.9404 -0.9401 0.2167 0.2213 2.3217 2.3240 3.0873 3.0942 3.1439 3.1623 k = 0.0769 0.0008-0.0046 ( 14423 PWs) bands (ev): -18.4893 -18.4888 -18.4773 -18.4761 -18.4694 -18.4675 -18.4641 -18.4641 -16.0168 -16.0155 -15.9380 -15.9365 -15.9255 -15.9249 -15.9236 -15.9235 -15.8981 -15.8980 -15.8724 -15.8723 -13.9219 -13.9210 -12.4042 -12.4021 -7.9676 -7.9676 -6.3575 -6.3571 -4.3755 -4.3675 -3.6244 -3.6175 -3.3404 -3.3229 -2.5587 -2.5582 -2.2197 -2.1971 -0.9540 -0.9536 0.2315 0.2372 2.3303 2.3332 3.0747 3.0874 3.1571 3.1753 k = 0.0897 0.0009-0.0054 ( 14423 PWs) bands (ev): -18.4892 -18.4886 -18.4773 -18.4759 -18.4694 -18.4672 -18.4640 -18.4640 -16.0160 -16.0145 -15.9379 -15.9362 -15.9252 -15.9246 -15.9231 -15.9230 -15.8984 -15.8983 -15.8731 -15.8730 -13.9085 -13.9074 -12.3996 -12.3971 -8.0007 -8.0007 -6.4024 -6.4021 -4.3737 -4.3649 -3.6041 -3.5956 -3.3224 -3.3017 -2.5312 -2.5293 -2.1866 -2.1584 -0.9702 -0.9697 0.2490 0.2557 2.3396 2.3430 3.0505 3.0757 3.1730 3.1903 k = 0.1026 0.0011-0.0062 ( 14416 PWs) bands (ev): -18.4890 -18.4883 -18.4773 -18.4757 -18.4694 -18.4669 -18.4639 -18.4639 -16.0151 -16.0133 -15.9379 -15.9359 -15.9248 -15.9244 -15.9225 -15.9223 -15.8987 -15.8987 -15.8739 -15.8737 -13.8931 -13.8918 -12.3944 -12.3916 -8.0380 -8.0378 -6.4533 -6.4531 -4.3699 -4.3605 -3.5809 -3.5706 -3.3017 -3.2775 -2.5030 -2.4982 -2.1481 -2.1137 -0.9891 -0.9884 0.2692 0.2770 2.3490 2.3528 3.0130 3.0551 3.1911 3.2072 k = 0.1154 0.0012-0.0070 ( 14418 PWs) bands (ev): -18.4888 -18.4881 -18.4774 -18.4755 -18.4694 -18.4666 -18.4638 -18.4638 -16.0141 -16.0120 -15.9378 -15.9357 -15.9243 -15.9241 -15.9219 -15.9215 -15.8991 -15.8991 -15.8747 -15.8745 -13.8757 -13.8742 -12.3887 -12.3856 -8.0789 -8.0786 -6.5099 -6.5097 -4.3637 -4.3539 -3.5549 -3.5425 -3.2782 -3.2506 -2.4742 -2.4660 -2.1043 -2.0636 -1.0108 -1.0097 0.2920 0.3009 2.3574 2.3614 2.9622 3.0230 3.2114 3.2260 k = 0.1282 0.0014-0.0077 ( 14417 PWs) bands (ev): -18.4886 -18.4879 -18.4774 -18.4753 -18.4694 -18.4663 -18.4637 -18.4636 -16.0129 -16.0106 -15.9378 -15.9355 -15.9238 -15.9237 -15.9212 -15.9206 -15.8995 -15.8994 -15.8756 -15.8753 -13.8562 -13.8546 -12.3825 -12.3792 -8.1230 -8.1225 -6.5717 -6.5716 -4.3549 -4.3448 -3.5261 -3.5116 -3.2521 -3.2208 -2.4450 -2.4333 -2.0556 -2.0087 -1.0351 -1.0337 0.3173 0.3273 2.3632 2.3669 2.9013 2.9793 3.2333 3.2459 k = 0.1410 0.0015-0.0085 ( 14418 PWs) bands (ev): -18.4883 -18.4876 -18.4774 -18.4752 -18.4693 -18.4660 -18.4635 -18.4635 -16.0117 -16.0090 -15.9379 -15.9354 -15.9235 -15.9231 -15.9204 -15.9196 -15.8999 -15.8998 -15.8766 -15.8762 -13.8348 -13.8330 -12.3761 -12.3724 -8.1698 -8.1692 -6.6383 -6.6381 -4.3433 -4.3329 -3.4948 -3.4779 -3.2235 -3.1884 -2.4154 -2.4003 -2.0027 -1.9495 -1.0622 -1.0602 0.3448 0.3559 2.3641 2.3659 2.8365 2.9271 3.2561 3.2659 k = 0.1538 0.0016-0.0093 ( 14418 PWs) bands (ev): -18.4880 -18.4873 -18.4774 -18.4750 -18.4691 -18.4657 -18.4634 -18.4633 -16.0104 -16.0073 -15.9379 -15.9354 -15.9232 -15.9224 -15.9196 -15.9186 -15.9003 -15.9001 -15.8776 -15.8771 -13.8115 -13.8095 -12.3694 -12.3655 -8.2189 -8.2181 -6.7093 -6.7088 -4.3287 -4.3182 -3.4611 -3.4415 -3.1925 -3.1534 -2.3854 -2.3670 -1.9462 -1.8870 -1.0918 -1.0892 0.3744 0.3866 2.3536 2.3566 2.7757 2.8722 3.2779 3.2834 k = 0.1667 0.0018-0.0100 ( 14416 PWs) bands (ev): -18.4877 -18.4870 -18.4775 -18.4749 -18.4690 -18.4654 -18.4632 -18.4631 -16.0090 -16.0056 -15.9380 -15.9355 -15.9229 -15.9216 -15.9188 -15.9175 -15.9007 -15.9004 -15.8786 -15.8781 -13.7863 -13.7841 -12.3626 -12.3584 -8.2698 -8.2688 -6.7841 -6.7833 -4.3110 -4.3005 -3.4249 -3.4026 -3.1591 -3.1160 -2.3551 -2.3336 -1.8871 -1.8219 -1.1239 -1.1202 0.4058 0.4191 2.3238 2.3360 2.7274 2.8219 3.2849 3.3007 k = 0.1795 0.0019-0.0108 ( 14411 PWs) bands (ev): -18.4874 -18.4867 -18.4775 -18.4749 -18.4687 -18.4651 -18.4630 -18.4630 -16.0075 -16.0037 -15.9381 -15.9358 -15.9226 -15.9208 -15.9179 -15.9163 -15.9011 -15.9007 -15.8797 -15.8791 -13.7591 -13.7568 -12.3559 -12.3515 -8.3219 -8.3207 -6.8621 -6.8611 -4.2903 -4.2798 -3.3866 -3.3613 -3.1236 -3.0763 -2.3245 -2.3001 -1.8262 -1.7551 -1.1581 -1.1531 0.4386 0.4530 2.2730 2.2984 2.6968 2.7822 3.2623 3.3128 k = 0.1923 0.0020-0.0116 ( 14416 PWs) bands (ev): -18.4871 -18.4864 -18.4775 -18.4748 -18.4685 -18.4648 -18.4628 -18.4628 -16.0060 -16.0018 -15.9383 -15.9361 -15.9223 -15.9200 -15.9170 -15.9151 -15.9015 -15.9009 -15.8808 -15.8801 -13.7302 -13.7277 -12.3493 -12.3447 -8.3749 -8.3735 -6.9430 -6.9417 -4.2665 -4.2561 -3.3462 -3.3177 -3.0860 -3.0344 -2.2935 -2.2665 -1.7645 -1.6874 -1.1940 -1.1871 0.4723 0.4877 2.2036 2.2429 2.6823 2.7553 3.2139 3.3066 k = 0.2051 0.0022-0.0124 ( 14423 PWs) bands (ev): -18.4867 -18.4861 -18.4776 -18.4748 -18.4682 -18.4646 -18.4626 -18.4625 -16.0044 -15.9998 -15.9386 -15.9365 -15.9219 -15.9191 -15.9160 -15.9139 -15.9019 -15.9011 -15.8819 -15.8811 -13.6994 -13.6968 -12.3431 -12.3383 -8.4281 -8.4265 -7.0263 -7.0246 -4.2397 -4.2294 -3.3038 -3.2720 -3.0464 -2.9906 -2.2624 -2.2329 -1.7037 -1.6203 -1.2306 -1.2212 0.5065 0.5225 2.1220 2.1726 2.6776 2.7378 3.1551 3.2730 k = 0.2179 0.0023-0.0131 ( 14425 PWs) bands (ev): -18.4864 -18.4858 -18.4776 -18.4749 -18.4678 -18.4643 -18.4624 -18.4623 -16.0028 -15.9977 -15.9389 -15.9371 -15.9216 -15.9182 -15.9150 -15.9127 -15.9022 -15.9011 -15.8830 -15.8821 -13.6669 -13.6641 -12.3374 -12.3325 -8.4811 -8.4793 -7.1114 -7.1094 -4.2100 -4.1998 -3.2595 -3.2244 -3.0052 -2.9449 -2.2312 -2.1994 -1.6459 -1.5559 -1.2661 -1.2534 0.5403 0.5567 2.0346 2.0927 2.6755 2.7221 3.0974 3.2201 k = 0.2308 0.0024-0.0139 ( 14428 PWs) bands (ev): -18.4860 -18.4855 -18.4777 -18.4749 -18.4675 -18.4641 -18.4622 -18.4620 -16.0011 -15.9956 -15.9392 -15.9377 -15.9213 -15.9173 -15.9141 -15.9115 -15.9025 -15.9011 -15.8841 -15.8830 -13.6327 -13.6298 -12.3324 -12.3274 -8.5333 -8.5314 -7.1980 -7.1956 -4.1774 -4.1673 -3.2135 -3.1748 -2.9624 -2.8977 -2.2000 -2.1661 -1.5954 -1.4998 -1.2951 -1.2796 0.5728 0.5891 1.9463 2.0086 2.6689 2.6985 3.0503 3.1619 k = 0.2436 0.0026-0.0147 ( 14423 PWs) bands (ev): -18.4856 -18.4852 -18.4777 -18.4750 -18.4671 -18.4638 -18.4620 -18.4617 -15.9995 -15.9935 -15.9396 -15.9385 -15.9209 -15.9164 -15.9132 -15.9104 -15.9028 -15.9010 -15.8852 -15.8839 -13.5969 -13.5939 -12.3283 -12.3233 -8.5843 -8.5823 -7.2857 -7.2830 -4.1421 -4.1321 -3.1659 -3.1236 -2.9184 -2.8493 -2.1692 -2.1334 -1.5596 -1.4668 -1.3031 -1.2925 0.6028 0.6182 1.8611 1.9248 2.6508 2.6585 3.0205 3.1085 k = 0.2564 0.0027-0.0155 ( 14430 PWs) bands (ev): -18.4853 -18.4849 -18.4778 -18.4751 -18.4667 -18.4636 -18.4617 -18.4615 -15.9977 -15.9913 -15.9401 -15.9394 -15.9205 -15.9155 -15.9123 -15.9093 -15.9030 -15.9008 -15.8862 -15.8848 -13.5595 -13.5563 -12.3254 -12.3203 -8.6336 -8.6315 -7.3740 -7.3709 -4.1040 -4.0941 -3.1169 -3.0708 -2.8734 -2.7998 -2.1389 -2.1013 -1.5476 -1.4724 -1.2832 -1.2745 0.6288 0.6423 1.7824 1.8452 2.5996 2.6153 3.0065 3.0637 k = 0.2692 0.0028-0.0162 ( 14429 PWs) bands (ev): -18.4849 -18.4846 -18.4779 -18.4753 -18.4663 -18.4634 -18.4615 -18.4612 -15.9960 -15.9892 -15.9406 -15.9404 -15.9201 -15.9146 -15.9115 -15.9083 -15.9031 -15.9004 -15.8872 -15.8856 -13.5206 -13.5173 -12.3237 -12.3186 -8.6807 -8.6786 -7.4626 -7.4593 -4.0634 -4.0536 -3.0666 -3.0167 -2.8278 -2.7499 -2.1094 -2.0703 -1.5598 -1.5029 -1.2511 -1.2233 0.6491 0.6590 1.7138 1.7733 2.5256 2.5603 2.9798 3.0215 k = 0.2821 0.0030-0.0170 ( 14426 PWs) bands (ev): -18.4845 -18.4843 -18.4779 -18.4754 -18.4658 -18.4632 -18.4613 -18.4609 -15.9943 -15.9870 -15.9415 -15.9412 -15.9197 -15.9137 -15.9108 -15.9074 -15.9031 -15.9000 -15.8881 -15.8863 -13.4802 -13.4769 -12.3236 -12.3186 -8.7251 -8.7230 -7.5512 -7.5475 -4.0203 -4.0106 -3.0153 -2.9615 -2.7821 -2.6999 -2.0811 -2.0407 -1.5876 -1.5423 -1.2047 -1.1654 0.6618 0.6663 1.6585 1.7126 2.4417 2.4886 2.9105 2.9677 k = 0.2949 0.0031-0.0178 ( 14418 PWs) bands (ev): -18.4841 -18.4839 -18.4780 -18.4756 -18.4654 -18.4630 -18.4611 -18.4606 -15.9926 -15.9849 -15.9426 -15.9419 -15.9193 -15.9128 -15.9102 -15.9068 -15.9029 -15.8994 -15.8890 -15.8870 -13.4386 -13.4352 -12.3253 -12.3204 -8.7664 -8.7643 -7.6394 -7.6355 -3.9748 -3.9653 -2.9632 -2.9054 -2.7370 -2.6507 -2.0543 -2.0127 -1.6225 -1.5841 -1.1522 -1.1073 0.6622 0.6654 1.6190 1.6658 2.3517 2.4050 2.8348 2.9010 k = 0.3077 0.0032-0.0185 ( 14422 PWs) bands (ev): -18.4838 -18.4836 -18.4781 -18.4758 -18.4650 -18.4627 -18.4609 -18.4604 -15.9909 -15.9828 -15.9439 -15.9426 -15.9188 -15.9120 -15.9097 -15.9063 -15.9025 -15.8988 -15.8898 -15.8876 -13.3957 -13.3922 -12.3289 -12.3242 -8.8041 -8.8021 -7.7269 -7.7227 -3.9271 -3.9176 -2.9106 -2.8490 -2.6932 -2.6032 -2.0293 -1.9867 -1.6593 -1.6254 -1.0984 -1.0519 0.6463 0.6590 1.5966 1.6349 2.2582 2.3137 2.7626 2.8305 k = 0.3205 0.0034-0.0193 ( 14425 PWs) bands (ev): -18.4834 -18.4833 -18.4782 -18.4760 -18.4646 -18.4625 -18.4607 -18.4602 -15.9892 -15.9807 -15.9452 -15.9434 -15.9184 -15.9113 -15.9092 -15.9061 -15.9019 -15.8981 -15.8906 -15.8881 -13.3516 -13.3482 -12.3348 -12.3302 -8.8378 -8.8359 -7.8134 -7.8090 -3.8772 -3.8678 -2.8581 -2.7927 -2.6516 -2.5587 -2.0064 -1.9629 -1.6947 -1.6640 -1.0462 -1.0010 0.6199 0.6436 1.5909 1.6203 2.1627 2.2179 2.6961 2.7623 k = 0.3333 0.0035-0.0201 ( 14418 PWs) bands (ev): -18.4831 -18.4830 -18.4782 -18.4762 -18.4641 -18.4623 -18.4605 -18.4599 -15.9875 -15.9787 -15.9465 -15.9443 -15.9179 -15.9105 -15.9088 -15.9061 -15.9013 -15.8974 -15.8913 -15.8885 -13.3066 -13.3031 -12.3430 -12.3386 -8.8672 -8.8655 -7.8986 -7.8941 -3.8252 -3.8160 -2.8064 -2.7376 -2.6132 -2.5185 -1.9854 -1.9415 -1.7258 -1.6981 -0.9977 -0.9564 0.5860 0.6214 1.5992 1.6210 2.0662 2.1204 2.6364 2.6996 k = 0.3462 0.0036-0.0209 ( 14418 PWs) bands (ev): -18.4828 -18.4827 -18.4783 -18.4764 -18.4637 -18.4621 -18.4604 -18.4598 -15.9858 -15.9768 -15.9480 -15.9452 -15.9173 -15.9099 -15.9085 -15.9061 -15.9006 -15.8967 -15.8919 -15.8888 -13.2606 -13.2571 -12.3537 -12.3497 -8.8919 -8.8905 -7.9823 -7.9776 -3.7713 -3.7622 -2.7567 -2.6861 -2.5780 -2.4844 -1.9662 -1.9223 -1.7500 -1.7261 -0.9549 -0.9198 0.5488 0.5962 1.6171 1.6345 1.9698 2.0242 2.5845 2.6438 k = 0.3590 0.0038-0.0216 ( 14411 PWs) bands (ev): -18.4825 -18.4823 -18.4784 -18.4766 -18.4633 -18.4618 -18.4602 -18.4596 -15.9841 -15.9749 -15.9494 -15.9461 -15.9168 -15.9093 -15.9082 -15.9062 -15.8999 -15.8959 -15.8924 -15.8891 -13.2138 -13.2104 -12.3672 -12.3634 -8.9116 -8.9105 -8.0641 -8.0594 -3.7156 -3.7066 -2.7111 -2.6431 -2.5436 -2.4570 -1.9478 -1.9049 -1.7652 -1.7465 -0.9198 -0.8931 0.5127 0.5719 1.6373 1.6573 1.8749 1.9346 2.5411 2.5962 k = 0.3718 0.0039-0.0224 ( 14410 PWs) bands (ev): -18.4822 -18.4820 -18.4785 -18.4769 -18.4630 -18.4616 -18.4601 -18.4595 -15.9825 -15.9731 -15.9509 -15.9471 -15.9162 -15.9088 -15.9078 -15.9063 -15.8993 -15.8952 -15.8929 -15.8893 -13.1664 -13.1630 -12.3834 -12.3800 -8.9262 -8.9253 -8.1439 -8.1390 -3.6583 -3.6493 -2.6729 -2.6167 -2.5042 -2.4351 -1.9295 -1.8897 -1.7689 -1.7584 -0.8945 -0.8777 0.4819 0.5527 1.6434 1.6817 1.7871 1.8659 2.5067 2.5576 k = 0.3846 0.0041-0.0232 ( 14418 PWs) bands (ev): -18.4819 -18.4817 -18.4786 -18.4771 -18.4626 -18.4614 -18.4600 -18.4594 -15.9809 -15.9713 -15.9525 -15.9481 -15.9156 -15.9084 -15.9076 -15.9065 -15.8987 -15.8945 -15.8933 -15.8894 -13.1185 -13.1152 -12.4025 -12.3995 -8.9352 -8.9348 -8.2212 -8.2164 -3.5993 -3.5904 -2.6478 -2.6111 -2.4572 -2.4144 -1.9114 -1.8788 -1.7612 -1.7581 -0.8806 -0.8749 0.4603 0.5417 1.6085 1.6578 1.7540 1.8434 2.4817 2.5286 k = 0.3974 0.0042-0.0240 ( 14414 PWs) bands (ev): -18.4816 -18.4815 -18.4787 -18.4773 -18.4622 -18.4612 -18.4599 -18.4593 -15.9792 -15.9696 -15.9540 -15.9491 -15.9149 -15.9080 -15.9073 -15.9067 -15.8982 -15.8939 -15.8937 -15.8895 -13.0702 -13.0671 -12.4244 -12.4219 -8.9388 -8.9387 -8.2960 -8.2911 -3.5390 -3.5301 -2.6413 -2.6237 -2.4055 -2.3884 -1.8962 -1.8746 -1.7510 -1.7326 -0.8854 -0.8796 0.4505 0.5413 1.5345 1.5742 1.7857 1.8639 2.4656 2.5093 k = 0.4103 0.0043-0.0247 ( 14407 PWs) bands (ev): -18.4813 -18.4812 -18.4788 -18.4776 -18.4619 -18.4609 -18.4599 -18.4592 -15.9777 -15.9680 -15.9556 -15.9502 -15.9143 -15.9077 -15.9071 -15.9069 -15.8977 -15.8940 -15.8933 -15.8895 -13.0219 -13.0189 -12.4492 -12.4471 -8.9369 -8.9366 -8.3679 -8.3631 -3.4774 -3.4685 -2.6550 -2.6505 -2.3541 -2.3522 -1.8879 -1.8776 -1.7265 -1.6930 -0.9088 -0.8920 0.4543 0.5526 1.4446 1.4837 1.8281 1.9028 2.4568 2.4990 k = 0.4231 0.0045-0.0255 ( 14408 PWs) bands (ev): -18.4810 -18.4809 -18.4789 -18.4778 -18.4616 -18.4607 -18.4598 -18.4592 -15.9761 -15.9665 -15.9572 -15.9513 -15.9136 -15.9075 -15.9072 -15.9069 -15.8973 -15.8943 -15.8927 -15.8895 -12.9735 -12.9707 -12.4769 -12.4752 -8.9296 -8.9288 -8.4366 -8.4319 -3.4147 -3.4058 -2.6881 -2.6853 -2.3129 -2.2989 -1.8887 -1.8867 -1.6876 -1.6430 -0.9441 -0.9175 0.4721 0.5755 1.3500 1.3934 1.8737 1.9483 2.4511 2.4947 k = 0.4359 0.0046-0.0263 ( 14398 PWs) bands (ev): -18.4808 -18.4807 -18.4791 -18.4781 -18.4613 -18.4605 -18.4598 -18.4592 -15.9745 -15.9650 -15.9588 -15.9524 -15.9129 -15.9075 -15.9072 -15.9067 -15.8969 -15.8946 -15.8922 -15.8896 -12.9254 -12.9228 -12.5073 -12.5061 -8.9165 -8.9153 -8.5020 -8.4974 -3.3510 -3.3421 -2.7339 -2.7275 -2.2678 -2.2467 -1.9018 -1.8967 -1.6375 -1.5857 -0.9898 -0.9547 0.5033 0.6093 1.2546 1.3046 1.9210 1.9961 2.4397 2.4872 k = 0.4487 0.0047-0.0270 ( 14398 PWs) bands (ev): -18.4805 -18.4804 -18.4792 -18.4783 -18.4610 -18.4603 -18.4599 -18.4592 -15.9729 -15.9636 -15.9603 -15.9535 -15.9123 -15.9079 -15.9071 -15.9066 -15.8966 -15.8948 -15.8917 -15.8896 -12.8777 -12.8754 -12.5403 -12.5396 -8.8978 -8.8962 -8.5637 -8.5593 -3.2867 -3.2777 -2.7859 -2.7776 -2.2212 -2.1963 -1.9216 -1.9116 -1.5793 -1.5232 -1.0440 -1.0018 0.5467 0.6528 1.1602 1.2178 1.9699 2.0448 2.4115 2.4616 k = 0.4615 0.0049-0.0278 ( 14412 PWs) bands (ev): -18.4803 -18.4801 -18.4793 -18.4786 -18.4608 -18.4601 -18.4599 -18.4593 -15.9714 -15.9622 -15.9619 -15.9547 -15.9116 -15.9083 -15.9069 -15.9066 -15.8963 -15.8950 -15.8912 -15.8897 -12.8307 -12.8287 -12.5758 -12.5755 -8.8736 -8.8716 -8.6215 -8.6174 -3.2219 -3.2128 -2.8423 -2.8333 -2.1747 -2.1482 -1.9462 -1.9320 -1.5157 -1.4572 -1.1047 -1.0569 0.6006 0.7047 1.0678 1.1334 2.0205 2.0940 2.3648 2.4158 k = 0.4744 0.0050-0.0286 ( 14407 PWs) bands (ev): -18.4801 -18.4799 -18.4795 -18.4788 -18.4606 -18.4600 -18.4599 -18.4594 -15.9698 -15.9635 -15.9609 -15.9559 -15.9110 -15.9087 -15.9068 -15.9065 -15.8961 -15.8952 -15.8908 -15.8898 -12.7846 -12.7829 -12.6136 -12.6135 -8.8440 -8.8416 -8.6752 -8.6713 -3.1568 -3.1477 -2.9020 -2.8927 -2.1294 -2.1029 -1.9753 -1.9575 -1.4485 -1.3890 -1.1700 -1.1178 0.6635 0.7638 0.9782 1.0519 2.0735 2.1442 2.3076 2.3611 k = 0.4872 0.0051-0.0294 ( 14403 PWs) bands (ev): -18.4800 -18.4797 -18.4796 -18.4791 -18.4604 -18.4601 -18.4598 -18.4595 -15.9682 -15.9651 -15.9596 -15.9571 -15.9104 -15.9092 -15.9067 -15.9066 -15.8958 -15.8954 -15.8905 -15.8900 -12.7397 -12.7383 -12.6538 -12.6533 -8.8092 -8.8064 -8.7245 -8.7209 -3.0919 -3.0827 -2.9639 -2.9546 -2.0862 -2.0608 -2.0086 -1.9877 -1.3790 -1.3198 -1.2385 -1.1830 0.7338 0.8289 0.8921 0.9736 2.1290 2.1958 2.2472 2.3047 k = 0.5000 0.0053-0.0301 ( 14398 PWs) bands (ev): -18.4798 -18.4798 -18.4793 -18.4793 -18.4602 -18.4602 -18.4596 -18.4596 -15.9667 -15.9667 -15.9583 -15.9583 -15.9098 -15.9098 -15.9066 -15.9066 -15.8956 -15.8956 -15.8902 -15.8902 -12.6978 -12.6978 -12.6931 -12.6931 -8.7708 -8.7708 -8.7645 -8.7645 -3.0279 -3.0279 -3.0176 -3.0176 -2.0459 -2.0459 -2.0220 -2.0220 -1.3086 -1.3086 -1.2507 -1.2507 0.8104 0.8104 0.8991 0.8991 2.1870 2.1870 2.2493 2.2493 k = 0.5000 0.0053 0.0560 ( 14410 PWs) bands (ev): -18.4798 -18.4798 -18.4793 -18.4793 -18.4602 -18.4602 -18.4596 -18.4596 -15.9667 -15.9667 -15.9583 -15.9583 -15.9098 -15.9098 -15.9066 -15.9066 -15.8956 -15.8956 -15.8902 -15.8902 -12.6978 -12.6978 -12.6931 -12.6931 -8.7708 -8.7708 -8.7645 -8.7645 -3.0279 -3.0279 -3.0176 -3.0176 -2.0459 -2.0459 -2.0220 -2.0220 -1.3086 -1.3086 -1.2507 -1.2507 0.8104 0.8104 0.8991 0.8991 2.1870 2.1870 2.2493 2.2493 k = 0.4872 0.0051 0.0545 ( 14412 PWs) bands (ev): -18.4800 -18.4797 -18.4796 -18.4791 -18.4604 -18.4601 -18.4598 -18.4595 -15.9682 -15.9651 -15.9596 -15.9571 -15.9104 -15.9092 -15.9067 -15.9066 -15.8958 -15.8954 -15.8905 -15.8900 -12.7397 -12.7383 -12.6538 -12.6533 -8.8092 -8.8064 -8.7245 -8.7209 -3.0919 -3.0827 -2.9639 -2.9546 -2.0862 -2.0608 -2.0086 -1.9877 -1.3790 -1.3198 -1.2385 -1.1830 0.7338 0.8289 0.8921 0.9736 2.1290 2.1958 2.2472 2.3047 k = 0.4744 0.0050 0.0531 ( 14402 PWs) bands (ev): -18.4801 -18.4799 -18.4795 -18.4788 -18.4606 -18.4600 -18.4599 -18.4594 -15.9698 -15.9635 -15.9609 -15.9559 -15.9110 -15.9087 -15.9068 -15.9065 -15.8960 -15.8952 -15.8908 -15.8898 -12.7846 -12.7829 -12.6136 -12.6135 -8.8440 -8.8416 -8.6752 -8.6713 -3.1568 -3.1477 -2.9020 -2.8927 -2.1294 -2.1029 -1.9753 -1.9575 -1.4485 -1.3890 -1.1700 -1.1178 0.6635 0.7638 0.9782 1.0519 2.0735 2.1442 2.3076 2.3611 k = 0.4615 0.0049 0.0517 ( 14409 PWs) bands (ev): -18.4803 -18.4801 -18.4793 -18.4786 -18.4608 -18.4601 -18.4599 -18.4593 -15.9714 -15.9622 -15.9619 -15.9547 -15.9116 -15.9083 -15.9069 -15.9066 -15.8963 -15.8950 -15.8912 -15.8897 -12.8307 -12.8287 -12.5758 -12.5755 -8.8736 -8.8716 -8.6215 -8.6174 -3.2219 -3.2128 -2.8423 -2.8333 -2.1747 -2.1482 -1.9462 -1.9320 -1.5157 -1.4572 -1.1047 -1.0569 0.6006 0.7047 1.0678 1.1334 2.0205 2.0940 2.3648 2.4158 k = 0.4487 0.0047 0.0502 ( 14402 PWs) bands (ev): -18.4805 -18.4804 -18.4792 -18.4783 -18.4610 -18.4603 -18.4599 -18.4592 -15.9729 -15.9636 -15.9603 -15.9535 -15.9123 -15.9079 -15.9071 -15.9066 -15.8966 -15.8948 -15.8917 -15.8896 -12.8777 -12.8754 -12.5403 -12.5396 -8.8978 -8.8962 -8.5637 -8.5593 -3.2867 -3.2777 -2.7859 -2.7776 -2.2212 -2.1963 -1.9216 -1.9116 -1.5793 -1.5232 -1.0440 -1.0018 0.5467 0.6528 1.1602 1.2178 1.9699 2.0448 2.4115 2.4616 k = 0.4359 0.0046 0.0488 ( 14402 PWs) bands (ev): -18.4808 -18.4807 -18.4791 -18.4781 -18.4613 -18.4605 -18.4598 -18.4592 -15.9745 -15.9650 -15.9588 -15.9524 -15.9129 -15.9075 -15.9072 -15.9067 -15.8969 -15.8946 -15.8922 -15.8896 -12.9254 -12.9228 -12.5073 -12.5061 -8.9165 -8.9153 -8.5020 -8.4974 -3.3510 -3.3421 -2.7339 -2.7275 -2.2678 -2.2467 -1.9018 -1.8967 -1.6375 -1.5857 -0.9898 -0.9547 0.5033 0.6093 1.2546 1.3046 1.9210 1.9961 2.4397 2.4872 k = 0.4231 0.0045 0.0473 ( 14394 PWs) bands (ev): -18.4810 -18.4809 -18.4789 -18.4778 -18.4616 -18.4607 -18.4598 -18.4592 -15.9761 -15.9665 -15.9572 -15.9513 -15.9136 -15.9075 -15.9072 -15.9069 -15.8973 -15.8943 -15.8927 -15.8895 -12.9735 -12.9707 -12.4769 -12.4752 -8.9296 -8.9288 -8.4366 -8.4319 -3.4147 -3.4058 -2.6881 -2.6853 -2.3129 -2.2989 -1.8887 -1.8867 -1.6876 -1.6430 -0.9441 -0.9175 0.4721 0.5755 1.3500 1.3934 1.8737 1.9483 2.4511 2.4947 k = 0.4103 0.0043 0.0459 ( 14404 PWs) bands (ev): -18.4813 -18.4812 -18.4788 -18.4776 -18.4619 -18.4609 -18.4599 -18.4592 -15.9777 -15.9680 -15.9556 -15.9502 -15.9143 -15.9077 -15.9071 -15.9069 -15.8977 -15.8940 -15.8933 -15.8895 -13.0219 -13.0189 -12.4492 -12.4471 -8.9369 -8.9366 -8.3679 -8.3631 -3.4774 -3.4685 -2.6550 -2.6505 -2.3541 -2.3522 -1.8879 -1.8776 -1.7265 -1.6930 -0.9088 -0.8920 0.4543 0.5526 1.4446 1.4837 1.8281 1.9028 2.4568 2.4990 k = 0.3974 0.0042 0.0445 ( 14397 PWs) bands (ev): -18.4816 -18.4815 -18.4787 -18.4773 -18.4622 -18.4612 -18.4599 -18.4593 -15.9792 -15.9696 -15.9540 -15.9491 -15.9149 -15.9080 -15.9073 -15.9067 -15.8982 -15.8939 -15.8937 -15.8895 -13.0702 -13.0671 -12.4244 -12.4219 -8.9388 -8.9387 -8.2960 -8.2911 -3.5390 -3.5301 -2.6413 -2.6237 -2.4055 -2.3884 -1.8962 -1.8746 -1.7510 -1.7326 -0.8853 -0.8796 0.4505 0.5413 1.5345 1.5742 1.7857 1.8639 2.4656 2.5093 k = 0.3846 0.0041 0.0430 ( 14402 PWs) bands (ev): -18.4819 -18.4817 -18.4786 -18.4771 -18.4626 -18.4614 -18.4600 -18.4594 -15.9809 -15.9713 -15.9525 -15.9481 -15.9156 -15.9084 -15.9076 -15.9065 -15.8987 -15.8945 -15.8933 -15.8894 -13.1185 -13.1152 -12.4025 -12.3995 -8.9352 -8.9348 -8.2212 -8.2164 -3.5993 -3.5904 -2.6478 -2.6111 -2.4572 -2.4144 -1.9114 -1.8788 -1.7612 -1.7581 -0.8806 -0.8749 0.4603 0.5417 1.6085 1.6578 1.7540 1.8434 2.4817 2.5286 k = 0.3718 0.0039 0.0416 ( 14405 PWs) bands (ev): -18.4822 -18.4820 -18.4785 -18.4769 -18.4630 -18.4616 -18.4601 -18.4595 -15.9825 -15.9731 -15.9509 -15.9471 -15.9162 -15.9088 -15.9078 -15.9063 -15.8993 -15.8952 -15.8929 -15.8893 -13.1664 -13.1630 -12.3834 -12.3800 -8.9262 -8.9253 -8.1439 -8.1390 -3.6583 -3.6493 -2.6729 -2.6167 -2.5042 -2.4351 -1.9295 -1.8897 -1.7689 -1.7584 -0.8944 -0.8777 0.4819 0.5527 1.6434 1.6817 1.7871 1.8659 2.5067 2.5576 k = 0.3590 0.0038 0.0402 ( 14408 PWs) bands (ev): -18.4825 -18.4823 -18.4784 -18.4766 -18.4633 -18.4618 -18.4602 -18.4596 -15.9841 -15.9749 -15.9494 -15.9461 -15.9168 -15.9093 -15.9082 -15.9062 -15.8999 -15.8959 -15.8924 -15.8891 -13.2138 -13.2104 -12.3672 -12.3634 -8.9116 -8.9105 -8.0641 -8.0594 -3.7156 -3.7066 -2.7111 -2.6431 -2.5436 -2.4570 -1.9478 -1.9049 -1.7652 -1.7465 -0.9198 -0.8931 0.5127 0.5719 1.6373 1.6573 1.8749 1.9346 2.5411 2.5962 k = 0.3462 0.0036 0.0387 ( 14408 PWs) bands (ev): -18.4828 -18.4827 -18.4783 -18.4764 -18.4637 -18.4621 -18.4604 -18.4598 -15.9858 -15.9768 -15.9480 -15.9452 -15.9173 -15.9099 -15.9085 -15.9061 -15.9006 -15.8967 -15.8919 -15.8888 -13.2606 -13.2571 -12.3537 -12.3497 -8.8919 -8.8905 -7.9823 -7.9776 -3.7713 -3.7622 -2.7567 -2.6861 -2.5780 -2.4844 -1.9662 -1.9223 -1.7500 -1.7261 -0.9549 -0.9198 0.5488 0.5962 1.6171 1.6345 1.9698 2.0242 2.5845 2.6438 k = 0.3333 0.0035 0.0373 ( 14409 PWs) bands (ev): -18.4831 -18.4830 -18.4782 -18.4762 -18.4641 -18.4623 -18.4605 -18.4599 -15.9875 -15.9787 -15.9465 -15.9443 -15.9179 -15.9105 -15.9088 -15.9061 -15.9013 -15.8974 -15.8913 -15.8885 -13.3066 -13.3031 -12.3430 -12.3386 -8.8672 -8.8655 -7.8986 -7.8941 -3.8252 -3.8160 -2.8064 -2.7376 -2.6132 -2.5185 -1.9854 -1.9415 -1.7258 -1.6981 -0.9977 -0.9564 0.5860 0.6215 1.5992 1.6210 2.0662 2.1204 2.6364 2.6996 k = 0.3205 0.0034 0.0359 ( 14419 PWs) bands (ev): -18.4834 -18.4833 -18.4782 -18.4760 -18.4646 -18.4625 -18.4607 -18.4602 -15.9891 -15.9807 -15.9452 -15.9434 -15.9184 -15.9113 -15.9092 -15.9061 -15.9019 -15.8981 -15.8906 -15.8881 -13.3516 -13.3482 -12.3348 -12.3302 -8.8378 -8.8359 -7.8134 -7.8090 -3.8772 -3.8678 -2.8581 -2.7927 -2.6516 -2.5587 -2.0064 -1.9629 -1.6947 -1.6640 -1.0462 -1.0010 0.6199 0.6436 1.5909 1.6203 2.1627 2.2179 2.6961 2.7623 k = 0.3077 0.0032 0.0344 ( 14420 PWs) bands (ev): -18.4838 -18.4836 -18.4781 -18.4758 -18.4650 -18.4627 -18.4609 -18.4604 -15.9909 -15.9828 -15.9439 -15.9426 -15.9188 -15.9120 -15.9097 -15.9063 -15.9025 -15.8988 -15.8898 -15.8876 -13.3957 -13.3922 -12.3289 -12.3242 -8.8041 -8.8021 -7.7269 -7.7227 -3.9271 -3.9176 -2.9106 -2.8490 -2.6932 -2.6032 -2.0293 -1.9867 -1.6593 -1.6254 -1.0984 -1.0519 0.6463 0.6590 1.5966 1.6348 2.2582 2.3137 2.7626 2.8305 k = 0.2949 0.0031 0.0330 ( 14424 PWs) bands (ev): -18.4841 -18.4839 -18.4780 -18.4756 -18.4654 -18.4630 -18.4611 -18.4606 -15.9926 -15.9849 -15.9426 -15.9419 -15.9193 -15.9128 -15.9102 -15.9068 -15.9029 -15.8994 -15.8890 -15.8870 -13.4386 -13.4352 -12.3253 -12.3204 -8.7664 -8.7643 -7.6394 -7.6355 -3.9748 -3.9653 -2.9632 -2.9054 -2.7370 -2.6507 -2.0543 -2.0127 -1.6225 -1.5841 -1.1522 -1.1073 0.6622 0.6654 1.6190 1.6658 2.3518 2.4050 2.8347 2.9010 k = 0.2821 0.0030 0.0316 ( 14435 PWs) bands (ev): -18.4845 -18.4843 -18.4779 -18.4754 -18.4658 -18.4632 -18.4613 -18.4609 -15.9943 -15.9870 -15.9415 -15.9412 -15.9197 -15.9137 -15.9108 -15.9074 -15.9031 -15.9000 -15.8881 -15.8863 -13.4802 -13.4769 -12.3236 -12.3186 -8.7251 -8.7230 -7.5512 -7.5475 -4.0203 -4.0106 -3.0153 -2.9615 -2.7821 -2.6999 -2.0811 -2.0407 -1.5876 -1.5423 -1.2047 -1.1654 0.6618 0.6663 1.6585 1.7126 2.4417 2.4887 2.9104 2.9679 k = 0.2692 0.0028 0.0301 ( 14441 PWs) bands (ev): -18.4849 -18.4846 -18.4779 -18.4753 -18.4663 -18.4634 -18.4615 -18.4612 -15.9960 -15.9892 -15.9406 -15.9404 -15.9201 -15.9146 -15.9115 -15.9083 -15.9031 -15.9004 -15.8872 -15.8856 -13.5206 -13.5173 -12.3237 -12.3186 -8.6807 -8.6786 -7.4626 -7.4593 -4.0634 -4.0536 -3.0666 -3.0167 -2.8278 -2.7499 -2.1094 -2.0703 -1.5598 -1.5029 -1.2511 -1.2233 0.6491 0.6590 1.7138 1.7733 2.5256 2.5603 2.9799 3.0220 k = 0.2564 0.0027 0.0287 ( 14441 PWs) bands (ev): -18.4853 -18.4849 -18.4778 -18.4751 -18.4667 -18.4636 -18.4617 -18.4615 -15.9977 -15.9913 -15.9401 -15.9394 -15.9205 -15.9155 -15.9123 -15.9093 -15.9030 -15.9008 -15.8862 -15.8848 -13.5595 -13.5563 -12.3254 -12.3203 -8.6336 -8.6315 -7.3740 -7.3709 -4.1040 -4.0941 -3.1169 -3.0708 -2.8734 -2.7998 -2.1389 -2.1014 -1.5476 -1.4724 -1.2832 -1.2745 0.6288 0.6423 1.7824 1.8452 2.5996 2.6154 3.0074 3.0647 k = 0.2436 0.0026 0.0273 ( 14437 PWs) bands (ev): -18.4856 -18.4852 -18.4777 -18.4750 -18.4671 -18.4638 -18.4620 -18.4617 -15.9995 -15.9935 -15.9396 -15.9385 -15.9209 -15.9164 -15.9132 -15.9104 -15.9028 -15.9010 -15.8852 -15.8839 -13.5969 -13.5939 -12.3283 -12.3233 -8.5843 -8.5823 -7.2857 -7.2830 -4.1421 -4.1321 -3.1659 -3.1236 -2.9184 -2.8493 -2.1692 -2.1334 -1.5596 -1.4668 -1.3031 -1.2925 0.6028 0.6182 1.8611 1.9248 2.6509 2.6587 3.0216 3.1098 k = 0.2308 0.0024 0.0258 ( 14437 PWs) bands (ev): -18.4860 -18.4855 -18.4777 -18.4749 -18.4675 -18.4641 -18.4622 -18.4620 -16.0011 -15.9956 -15.9392 -15.9377 -15.9213 -15.9173 -15.9141 -15.9115 -15.9025 -15.9011 -15.8841 -15.8830 -13.6327 -13.6298 -12.3324 -12.3274 -8.5333 -8.5314 -7.1980 -7.1956 -4.1774 -4.1673 -3.2135 -3.1748 -2.9624 -2.8977 -2.2000 -2.1661 -1.5954 -1.4998 -1.2951 -1.2796 0.5728 0.5891 1.9463 2.0086 2.6692 2.6988 3.0515 3.1636 k = 0.2179 0.0023 0.0244 ( 14429 PWs) bands (ev): -18.4864 -18.4858 -18.4776 -18.4749 -18.4678 -18.4643 -18.4624 -18.4623 -16.0028 -15.9977 -15.9389 -15.9371 -15.9216 -15.9182 -15.9150 -15.9127 -15.9022 -15.9011 -15.8830 -15.8821 -13.6669 -13.6641 -12.3374 -12.3325 -8.4811 -8.4793 -7.1114 -7.1094 -4.2100 -4.1998 -3.2595 -3.2244 -3.0052 -2.9449 -2.2312 -2.1994 -1.6459 -1.5559 -1.2661 -1.2534 0.5403 0.5567 2.0346 2.0927 2.6758 2.7225 3.0986 3.2221 k = 0.2051 0.0022 0.0230 ( 14426 PWs) bands (ev): -18.4867 -18.4861 -18.4776 -18.4748 -18.4682 -18.4646 -18.4626 -18.4625 -16.0044 -15.9998 -15.9386 -15.9365 -15.9219 -15.9191 -15.9160 -15.9139 -15.9019 -15.9011 -15.8819 -15.8811 -13.6994 -13.6968 -12.3431 -12.3383 -8.4281 -8.4265 -7.0263 -7.0246 -4.2397 -4.2294 -3.3038 -3.2720 -3.0464 -2.9906 -2.2624 -2.2329 -1.7037 -1.6203 -1.2306 -1.2212 0.5065 0.5225 2.1220 2.1726 2.6780 2.7383 3.1563 3.2749 k = 0.1923 0.0020 0.0215 ( 14411 PWs) bands (ev): -18.4871 -18.4864 -18.4775 -18.4748 -18.4685 -18.4648 -18.4628 -18.4628 -16.0060 -16.0018 -15.9383 -15.9361 -15.9223 -15.9200 -15.9170 -15.9151 -15.9015 -15.9009 -15.8808 -15.8801 -13.7302 -13.7277 -12.3493 -12.3447 -8.3749 -8.3735 -6.9430 -6.9417 -4.2665 -4.2561 -3.3462 -3.3177 -3.0860 -3.0344 -2.2935 -2.2665 -1.7645 -1.6874 -1.1940 -1.1871 0.4723 0.4877 2.2036 2.2429 2.6827 2.7559 3.2152 3.3060 k = 0.1795 0.0019 0.0201 ( 14410 PWs) bands (ev): -18.4874 -18.4867 -18.4775 -18.4749 -18.4687 -18.4651 -18.4630 -18.4630 -16.0075 -16.0037 -15.9381 -15.9358 -15.9226 -15.9208 -15.9179 -15.9163 -15.9011 -15.9007 -15.8797 -15.8791 -13.7591 -13.7568 -12.3559 -12.3515 -8.3219 -8.3207 -6.8621 -6.8611 -4.2903 -4.2798 -3.3866 -3.3613 -3.1236 -3.0763 -2.3245 -2.3001 -1.8262 -1.7551 -1.1581 -1.1531 0.4386 0.4530 2.2730 2.2985 2.6972 2.7827 3.2625 3.3085 k = 0.1667 0.0018 0.0187 ( 14414 PWs) bands (ev): -18.4877 -18.4870 -18.4775 -18.4749 -18.4690 -18.4654 -18.4632 -18.4631 -16.0090 -16.0056 -15.9380 -15.9355 -15.9229 -15.9216 -15.9188 -15.9175 -15.9007 -15.9004 -15.8786 -15.8781 -13.7863 -13.7841 -12.3626 -12.3584 -8.2698 -8.2688 -6.7841 -6.7833 -4.3110 -4.3005 -3.4249 -3.4026 -3.1591 -3.1160 -2.3551 -2.3336 -1.8871 -1.8219 -1.1239 -1.1202 0.4058 0.4191 2.3239 2.3361 2.7278 2.8223 3.2811 3.2949 k = 0.1538 0.0016 0.0172 ( 14410 PWs) bands (ev): -18.4880 -18.4873 -18.4774 -18.4750 -18.4691 -18.4657 -18.4634 -18.4633 -16.0104 -16.0073 -15.9379 -15.9354 -15.9232 -15.9224 -15.9196 -15.9186 -15.9003 -15.9001 -15.8776 -15.8771 -13.8115 -13.8095 -12.3694 -12.3655 -8.2189 -8.2181 -6.7093 -6.7088 -4.3287 -4.3182 -3.4611 -3.4415 -3.1925 -3.1534 -2.3854 -2.3670 -1.9462 -1.8870 -1.0918 -1.0892 0.3744 0.3866 2.3537 2.3567 2.7759 2.8725 3.2703 3.2792 k = 0.1410 0.0015 0.0158 ( 14416 PWs) bands (ev): -18.4883 -18.4876 -18.4774 -18.4752 -18.4693 -18.4660 -18.4635 -18.4635 -16.0117 -16.0090 -15.9379 -15.9354 -15.9235 -15.9231 -15.9204 -15.9196 -15.8999 -15.8998 -15.8766 -15.8762 -13.8348 -13.8330 -12.3761 -12.3724 -8.1698 -8.1692 -6.6383 -6.6381 -4.3433 -4.3329 -3.4948 -3.4779 -3.2235 -3.1884 -2.4154 -2.4003 -2.0027 -1.9495 -1.0622 -1.0602 0.3448 0.3559 2.3642 2.3661 2.8365 2.9270 3.2497 3.2624 k = 0.1282 0.0014 0.0143 ( 14419 PWs) bands (ev): -18.4886 -18.4879 -18.4774 -18.4753 -18.4694 -18.4663 -18.4637 -18.4636 -16.0129 -16.0106 -15.9378 -15.9355 -15.9238 -15.9237 -15.9212 -15.9206 -15.8995 -15.8994 -15.8756 -15.8753 -13.8562 -13.8546 -12.3825 -12.3792 -8.1230 -8.1225 -6.5717 -6.5716 -4.3549 -4.3448 -3.5261 -3.5116 -3.2521 -3.2208 -2.4450 -2.4333 -2.0556 -2.0087 -1.0351 -1.0337 0.3173 0.3273 2.3633 2.3670 2.9010 2.9787 3.2287 3.2445 k = 0.1154 0.0012 0.0129 ( 14416 PWs) bands (ev): -18.4888 -18.4881 -18.4774 -18.4755 -18.4694 -18.4666 -18.4638 -18.4638 -16.0141 -16.0120 -15.9378 -15.9357 -15.9243 -15.9241 -15.9219 -15.9215 -15.8991 -15.8991 -15.8747 -15.8745 -13.8757 -13.8742 -12.3887 -12.3856 -8.0789 -8.0786 -6.5099 -6.5097 -4.3637 -4.3539 -3.5549 -3.5425 -3.2782 -3.2506 -2.4742 -2.4660 -2.1043 -2.0636 -1.0108 -1.0097 0.2920 0.3009 2.3575 2.3615 2.9612 3.0215 3.2090 3.2273 k = 0.1026 0.0011 0.0115 ( 14429 PWs) bands (ev): -18.4890 -18.4883 -18.4773 -18.4757 -18.4694 -18.4669 -18.4639 -18.4639 -16.0151 -16.0133 -15.9379 -15.9359 -15.9248 -15.9244 -15.9225 -15.9223 -15.8987 -15.8987 -15.8739 -15.8737 -13.8931 -13.8918 -12.3944 -12.3916 -8.0380 -8.0378 -6.4533 -6.4531 -4.3699 -4.3605 -3.5809 -3.5706 -3.3017 -3.2775 -2.5030 -2.4982 -2.1481 -2.1137 -0.9891 -0.9884 0.2692 0.2770 2.3491 2.3529 3.0110 3.0524 3.1911 3.2112 k = 0.0897 0.0009 0.0100 ( 14428 PWs) bands (ev): -18.4892 -18.4886 -18.4773 -18.4759 -18.4694 -18.4672 -18.4640 -18.4640 -16.0160 -16.0145 -15.9379 -15.9362 -15.9252 -15.9246 -15.9231 -15.9230 -15.8984 -15.8983 -15.8731 -15.8730 -13.9085 -13.9074 -12.3996 -12.3971 -8.0007 -8.0007 -6.4024 -6.4021 -4.3737 -4.3649 -3.6041 -3.5956 -3.3224 -3.3017 -2.5312 -2.5293 -2.1866 -2.1584 -0.9702 -0.9697 0.2490 0.2557 2.3398 2.3431 3.0471 3.0720 3.1750 3.1962 k = 0.0769 0.0008 0.0086 ( 14428 PWs) bands (ev): -18.4893 -18.4888 -18.4773 -18.4761 -18.4694 -18.4675 -18.4641 -18.4641 -16.0168 -16.0155 -15.9380 -15.9365 -15.9255 -15.9249 -15.9236 -15.9235 -15.8981 -15.8980 -15.8724 -15.8723 -13.9219 -13.9210 -12.4042 -12.4021 -7.9676 -7.9676 -6.3575 -6.3571 -4.3755 -4.3675 -3.6244 -3.6175 -3.3404 -3.3229 -2.5587 -2.5582 -2.2197 -2.1971 -0.9540 -0.9536 0.2315 0.2372 2.3304 2.3332 3.0695 3.0835 3.1608 3.1822 k = 0.0641 0.0007 0.0072 ( 14421 PWs) bands (ev): -18.4894 -18.4889 -18.4773 -18.4763 -18.4693 -18.4677 -18.4641 -18.4641 -16.0174 -16.0164 -15.9380 -15.9368 -15.9257 -15.9252 -15.9241 -15.9239 -15.8978 -15.8978 -15.8719 -15.8718 -13.9333 -13.9325 -12.4082 -12.4064 -7.9388 -7.9388 -6.3189 -6.3186 -4.3758 -4.3686 -3.6416 -3.6362 -3.3555 -3.3412 -2.5857 -2.5835 -2.2472 -2.2298 -0.9404 -0.9401 0.2167 0.2213 2.3218 2.3241 3.0808 3.0907 3.1486 3.1691 k = 0.0513 0.0005 0.0057 ( 14425 PWs) bands (ev): -18.4895 -18.4891 -18.4772 -18.4764 -18.4692 -18.4680 -18.4642 -18.4642 -16.0180 -16.0172 -15.9380 -15.9371 -15.9259 -15.9254 -15.9244 -15.9242 -15.8976 -15.8976 -15.8714 -15.8713 -13.9426 -13.9419 -12.4115 -12.4101 -7.9149 -7.9148 -6.2870 -6.2867 -4.3749 -4.3689 -3.6557 -3.6516 -3.3677 -3.3564 -2.6093 -2.6062 -2.2692 -2.2563 -0.9295 -0.9293 0.2046 0.2083 2.3143 2.3161 3.0854 3.0953 3.1383 3.1571 k = 0.0385 0.0004 0.0043 ( 14425 PWs) bands (ev): -18.4895 -18.4892 -18.4772 -18.4766 -18.4691 -18.4682 -18.4642 -18.4642 -16.0184 -16.0178 -15.9381 -15.9373 -15.9260 -15.9257 -15.9247 -15.9245 -15.8974 -15.8974 -15.8710 -15.8709 -13.9498 -13.9493 -12.4141 -12.4130 -7.8959 -7.8958 -6.2620 -6.2617 -4.3734 -4.3687 -3.6667 -3.6637 -3.3769 -3.3685 -2.6286 -2.6254 -2.2858 -2.2768 -0.9210 -0.9209 0.1953 0.1981 2.3083 2.3096 3.0875 3.0975 3.1303 3.1465 k = 0.0256 0.0003 0.0029 ( 14427 PWs) bands (ev): -18.4896 -18.4894 -18.4771 -18.4767 -18.4690 -18.4684 -18.4643 -18.4643 -16.0186 -16.0183 -15.9380 -15.9376 -15.9261 -15.9259 -15.9248 -15.9247 -15.8973 -15.8972 -15.8707 -15.8707 -13.9549 -13.9546 -12.4159 -12.4152 -7.8822 -7.8821 -6.2439 -6.2437 -4.3716 -4.3684 -3.6744 -3.6725 -3.3832 -3.3776 -2.6427 -2.6402 -2.2973 -2.2915 -0.9150 -0.9149 0.1888 0.1906 2.3039 2.3048 3.0892 3.0976 3.1253 3.1376 k = 0.0128 0.0001 0.0014 ( 14434 PWs) bands (ev): -18.4896 -18.4894 -18.4770 -18.4768 -18.4689 -18.4686 -18.4643 -18.4643 -16.0188 -16.0186 -15.9380 -15.9378 -15.9261 -15.9260 -15.9249 -15.9249 -15.8972 -15.8972 -15.8705 -15.8705 -13.9580 -13.9578 -12.4169 -12.4165 -7.8738 -7.8738 -6.2330 -6.2329 -4.3701 -4.3685 -3.6789 -3.6779 -3.3864 -3.3836 -2.6512 -2.6498 -2.3035 -2.3008 -0.9114 -0.9114 0.1851 0.1860 2.3013 2.3018 3.0912 3.0961 3.1239 3.1306 k = 0.0000 0.0000 0.0000 ( 14431 PWs) bands (ev): -18.4895 -18.4895 -18.4770 -18.4770 -18.4687 -18.4687 -18.4643 -18.4643 -16.0187 -16.0187 -15.9379 -15.9379 -15.9261 -15.9261 -15.9249 -15.9249 -15.8972 -15.8972 -15.8705 -15.8705 -13.9589 -13.9589 -12.4171 -12.4171 -7.8710 -7.8710 -6.2294 -6.2294 -4.3690 -4.3690 -3.6800 -3.6800 -3.3866 -3.3866 -2.6535 -2.6535 -2.3047 -2.3047 -0.9102 -0.9102 0.1842 0.1842 2.3006 2.3006 3.0937 3.0937 3.1258 3.1258 Writing output data file PbS.save init_run : 3.71s CPU 11.76s WALL ( 1 calls) electrons : 1016.85s CPU 1024.91s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.43s CPU 1.59s WALL ( 1 calls) Called by electrons: c_bands : 1016.82s CPU 1024.67s WALL ( 1 calls) v_of_rho : 0.18s CPU 0.91s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.18s CPU 0.52s WALL ( 1 calls) newd : 0.74s CPU 0.94s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.12s CPU 0.37s WALL ( 327 calls) cegterg : 946.19s CPU 951.15s WALL ( 766 calls) Called by sum_band: Called by *egterg: h_psi : 550.80s CPU 559.08s WALL ( 13045 calls) s_psi : 46.56s CPU 46.71s WALL ( 13045 calls) g_psi : 2.06s CPU 2.09s WALL ( 11952 calls) cdiaghg : 202.77s CPU 200.37s WALL ( 12279 calls) cegterg:over : 83.41s CPU 79.92s WALL ( 11952 calls) cegterg:upda : 37.14s CPU 41.34s WALL ( 11952 calls) cegterg:last : 24.89s CPU 25.60s WALL ( 1747 calls) Called by h_psi: h_psi:vloc : 455.45s CPU 461.41s WALL ( 13045 calls) h_psi:vnl : 94.26s CPU 95.73s WALL ( 13045 calls) add_vuspsi : 35.64s CPU 40.24s WALL ( 13045 calls) General routines calbec : 58.56s CPU 55.39s WALL ( 13045 calls) fft : 0.45s CPU 1.60s WALL ( 19 calls) ffts : 0.02s CPU 0.05s WALL ( 4 calls) fftw : 435.98s CPU 441.11s WALL ( 1053884 calls) interpolate : 0.03s CPU 0.07s WALL ( 4 calls) davcio : 0.07s CPU 3.58s WALL ( 654 calls) Parallel routines fft_scatter : 268.96s CPU 270.06s WALL ( 1053907 calls) PWSCF : 18m38.09s CPU 22m 6.13s WALL This run was terminated on: 20:39: 2 17Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=