Program PWSCF v.5.1.1 starts on 28Jul2015 at 6:39:49 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 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 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: ./SiC.save/ 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 112 60 18 2162 849 145 Max 113 61 19 2163 865 147 Sum 3589 1945 593 69215 27461 4663 bravais-lattice index = 14 lattice parameter (alat) = 23.9831 a.u. unit-cell volume = 693.5413 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 23.983064 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.970685 celldm(5)= 0.970685 celldm(6)= 0.970685 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.970685 0.240353 0.000000 ) a(3) = ( 0.970685 0.118389 0.209174 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -4.038575 -2.354796 ) b(2) = ( 0.000000 4.160539 -2.354796 ) b(3) = ( 0.000000 0.000000 4.780706 ) PseudoPot. # 1 for Si read from file: /home/autes/Pseudo/Si.rel-pbe-nl-rrkjus_psl.1.0.0.UPF MD5 check sum: fdd4f0c14d34ff7e95251eb8672b2767 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /home/autes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Si 4.00 28.08550 Si( 1.00) C 4.00 12.01070 C( 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= 361 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 2) = ( 0.0083333 -0.0336548 -0.0196233), wk = 0.0027701 k( 3) = ( 0.0166667 -0.0673096 -0.0392466), wk = 0.0027701 k( 4) = ( 0.0250000 -0.1009644 -0.0588699), wk = 0.0027701 k( 5) = ( 0.0333333 -0.1346191 -0.0784932), wk = 0.0027701 k( 6) = ( 0.0416667 -0.1682740 -0.0981165), wk = 0.0027701 k( 7) = ( 0.0500000 -0.2019287 -0.1177398), wk = 0.0027701 k( 8) = ( 0.0583333 -0.2355835 -0.1373631), wk = 0.0027701 k( 9) = ( 0.0666667 -0.2692383 -0.1569864), wk = 0.0027701 k( 10) = ( 0.0750000 -0.3028931 -0.1766097), wk = 0.0027701 k( 11) = ( 0.0833333 -0.3365479 -0.1962330), wk = 0.0027701 k( 12) = ( 0.0916667 -0.3702027 -0.2158563), wk = 0.0027701 k( 13) = ( 0.1000000 -0.4038575 -0.2354796), wk = 0.0027701 k( 14) = ( 0.1083333 -0.4375123 -0.2551029), wk = 0.0027701 k( 15) = ( 0.1166667 -0.4711671 -0.2747262), wk = 0.0027701 k( 16) = ( 0.1250000 -0.5048218 -0.2943495), wk = 0.0027701 k( 17) = ( 0.1333333 -0.5384766 -0.3139728), wk = 0.0027701 k( 18) = ( 0.1416667 -0.5721314 -0.3335961), wk = 0.0027701 k( 19) = ( 0.1500000 -0.6057862 -0.3532194), wk = 0.0027701 k( 20) = ( 0.1583333 -0.6394410 -0.3728426), wk = 0.0027701 k( 21) = ( 0.1666667 -0.6730958 -0.3924660), wk = 0.0027701 k( 22) = ( 0.1750000 -0.7067506 -0.4120892), wk = 0.0027701 k( 23) = ( 0.1833333 -0.7404054 -0.4317125), wk = 0.0027701 k( 24) = ( 0.1916667 -0.7740602 -0.4513358), wk = 0.0027701 k( 25) = ( 0.2000000 -0.8077150 -0.4709591), wk = 0.0027701 k( 26) = ( 0.2083333 -0.8413697 -0.4905824), wk = 0.0027701 k( 27) = ( 0.2166667 -0.8750245 -0.5102057), wk = 0.0027701 k( 28) = ( 0.2250000 -0.9086793 -0.5298290), wk = 0.0027701 k( 29) = ( 0.2333333 -0.9423341 -0.5494523), wk = 0.0027701 k( 30) = ( 0.2416667 -0.9759889 -0.5690756), wk = 0.0027701 k( 31) = ( 0.2500000 -1.0096437 -0.5886989), wk = 0.0027701 k( 32) = ( 0.2583333 -1.0432985 -0.6083222), wk = 0.0027701 k( 33) = ( 0.2666667 -1.0769533 -0.6279455), wk = 0.0027701 k( 34) = ( 0.2750000 -1.1106081 -0.6475688), wk = 0.0027701 k( 35) = ( 0.2833333 -1.1442628 -0.6671921), wk = 0.0027701 k( 36) = ( 0.2916667 -1.1779177 -0.6868154), wk = 0.0027701 k( 37) = ( 0.3000000 -1.2115724 -0.7064387), wk = 0.0027701 k( 38) = ( 0.3083333 -1.2452272 -0.7260620), wk = 0.0027701 k( 39) = ( 0.3166667 -1.2788820 -0.7456853), wk = 0.0027701 k( 40) = ( 0.3250000 -1.3125368 -0.7653086), wk = 0.0027701 k( 41) = ( 0.3333333 -1.3461916 -0.7849319), wk = 0.0027701 k( 42) = ( 0.3416667 -1.3798464 -0.8045552), wk = 0.0027701 k( 43) = ( 0.3500000 -1.4135012 -0.8241785), wk = 0.0027701 k( 44) = ( 0.3583333 -1.4471559 -0.8438018), wk = 0.0027701 k( 45) = ( 0.3666667 -1.4808108 -0.8634251), wk = 0.0027701 k( 46) = ( 0.3750000 -1.5144655 -0.8830484), wk = 0.0027701 k( 47) = ( 0.3833333 -1.5481203 -0.9026717), wk = 0.0027701 k( 48) = ( 0.3916667 -1.5817751 -0.9222950), wk = 0.0027701 k( 49) = ( 0.4000000 -1.6154299 -0.9419183), wk = 0.0027701 k( 50) = ( 0.4083333 -1.6490847 -0.9615416), wk = 0.0027701 k( 51) = ( 0.4166667 -1.6827395 -0.9811649), wk = 0.0027701 k( 52) = ( 0.4250000 -1.7163943 -1.0007882), wk = 0.0027701 k( 53) = ( 0.4333333 -1.7500490 -1.0204115), wk = 0.0027701 k( 54) = ( 0.4416667 -1.7837039 -1.0400348), wk = 0.0027701 k( 55) = ( 0.4500000 -1.8173586 -1.0596581), wk = 0.0027701 k( 56) = ( 0.4583333 -1.8510134 -1.0792814), wk = 0.0027701 k( 57) = ( 0.4666667 -1.8846682 -1.0989047), wk = 0.0027701 k( 58) = ( 0.4750000 -1.9183230 -1.1185280), wk = 0.0027701 k( 59) = ( 0.4833333 -1.9519778 -1.1381512), wk = 0.0027701 k( 60) = ( 0.4916667 -1.9856326 -1.1577746), wk = 0.0027701 k( 61) = ( 0.5000000 -2.0192874 -1.1773978), wk = 0.0027701 k( 62) = ( 0.5000000 -2.0192874 -1.1773978), wk = 0.0027701 k( 63) = ( 0.5000000 -1.9990804 -1.2120537), wk = 0.0027701 k( 64) = ( 0.5000000 -1.9788734 -1.2467095), wk = 0.0027701 k( 65) = ( 0.5000000 -1.9586664 -1.2813655), wk = 0.0027701 k( 66) = ( 0.5000000 -1.9384594 -1.3160213), wk = 0.0027701 k( 67) = ( 0.5000000 -1.9182524 -1.3506772), wk = 0.0027701 k( 68) = ( 0.5000000 -1.8980454 -1.3853330), wk = 0.0027701 k( 69) = ( 0.5000000 -1.8778384 -1.4199888), wk = 0.0027701 k( 70) = ( 0.5000000 -1.8576314 -1.4546447), wk = 0.0027701 k( 71) = ( 0.5000000 -1.8374244 -1.4893006), wk = 0.0027701 k( 72) = ( 0.5000000 -1.8172174 -1.5239565), wk = 0.0027701 k( 73) = ( 0.5000000 -1.7970104 -1.5586123), wk = 0.0027701 k( 74) = ( 0.5000000 -1.7768034 -1.5932682), wk = 0.0027701 k( 75) = ( 0.5000000 -1.7565964 -1.6279240), wk = 0.0027701 k( 76) = ( 0.5000000 -1.7363894 -1.6625799), wk = 0.0027701 k( 77) = ( 0.5000000 -1.7161824 -1.6972358), wk = 0.0027701 k( 78) = ( 0.5000000 -1.6959754 -1.7318916), wk = 0.0027701 k( 79) = ( 0.5000000 -1.6757684 -1.7665475), wk = 0.0027701 k( 80) = ( 0.5000000 -1.6555614 -1.8012033), wk = 0.0027701 k( 81) = ( 0.5000000 -1.6353544 -1.8358592), wk = 0.0027701 k( 82) = ( 0.5000000 -1.6151474 -1.8705151), wk = 0.0027701 k( 83) = ( 0.5000000 -1.5949404 -1.9051709), wk = 0.0027701 k( 84) = ( 0.5000000 -1.5747334 -1.9398268), wk = 0.0027701 k( 85) = ( 0.5000000 -1.5545264 -1.9744826), wk = 0.0027701 k( 86) = ( 0.5000000 -1.5343195 -2.0091385), wk = 0.0027701 k( 87) = ( 0.5000000 -1.5141124 -2.0437944), wk = 0.0027701 k( 88) = ( 0.5000000 -1.4939054 -2.0784502), wk = 0.0027701 k( 89) = ( 0.5000000 -1.4736984 -2.1131061), wk = 0.0027701 k( 90) = ( 0.5000000 -1.4534915 -2.1477619), wk = 0.0027701 k( 91) = ( 0.5000000 -1.4332845 -2.1824178), wk = 0.0027701 k( 92) = ( 0.5000000 -1.4130774 -2.2170737), wk = 0.0027701 k( 93) = ( 0.5000000 -1.3928704 -2.2517295), wk = 0.0027701 k( 94) = ( 0.5000000 -1.3726635 -2.2863854), wk = 0.0027701 k( 95) = ( 0.5000000 -1.3524565 -2.3210412), wk = 0.0027701 k( 96) = ( 0.5000000 -1.3322495 -2.3556971), wk = 0.0027701 k( 97) = ( 0.5000000 -1.3120425 -2.3903529), wk = 0.0027701 k( 98) = ( 0.8300112 -1.2717929 -2.3192385), wk = 0.0027701 k( 99) = ( 0.8251581 -1.2521932 -2.2846091), wk = 0.0027701 k( 100) = ( 0.8203050 -1.2325936 -2.2499797), wk = 0.0027701 k( 101) = ( 0.8154519 -1.2129940 -2.2153504), wk = 0.0027701 k( 102) = ( 0.8105988 -1.1933943 -2.1807210), wk = 0.0027701 k( 103) = ( 0.8057457 -1.1737947 -2.1460917), wk = 0.0027701 k( 104) = ( 0.8008926 -1.1541951 -2.1114624), wk = 0.0027701 k( 105) = ( 0.7960395 -1.1345954 -2.0768330), wk = 0.0027701 k( 106) = ( 0.7911864 -1.1149958 -2.0422036), wk = 0.0027701 k( 107) = ( 0.7863333 -1.0953962 -2.0075743), wk = 0.0027701 k( 108) = ( 0.7814802 -1.0757965 -1.9729449), wk = 0.0027701 k( 109) = ( 0.7766271 -1.0561969 -1.9383156), wk = 0.0027701 k( 110) = ( 0.7717740 -1.0365973 -1.9036863), wk = 0.0027701 k( 111) = ( 0.7669208 -1.0169976 -1.8690569), wk = 0.0027701 k( 112) = ( 0.7620678 -0.9973980 -1.8344276), wk = 0.0027701 k( 113) = ( 0.7572146 -0.9777984 -1.7997982), wk = 0.0027701 k( 114) = ( 0.7523615 -0.9581987 -1.7651688), wk = 0.0027701 k( 115) = ( 0.7475084 -0.9385991 -1.7305395), wk = 0.0027701 k( 116) = ( 0.7426553 -0.9189995 -1.6959102), wk = 0.0027701 k( 117) = ( 0.7378022 -0.8993998 -1.6612808), wk = 0.0027701 k( 118) = ( 0.7329491 -0.8798002 -1.6266515), wk = 0.0027701 k( 119) = ( 0.7280960 -0.8602005 -1.5920221), wk = 0.0027701 k( 120) = ( 0.7232429 -0.8406009 -1.5573927), wk = 0.0027701 k( 121) = ( 0.7183898 -0.8210013 -1.5227634), wk = 0.0027701 k( 122) = ( 0.7135367 -0.8014016 -1.4881341), wk = 0.0027701 k( 123) = ( 0.7086836 -0.7818020 -1.4535048), wk = 0.0027701 k( 124) = ( 0.7038305 -0.7622024 -1.4188754), wk = 0.0027701 k( 125) = ( 0.6989774 -0.7426027 -1.3842460), wk = 0.0027701 k( 126) = ( 0.6941243 -0.7230031 -1.3496167), wk = 0.0027701 k( 127) = ( 0.6892712 -0.7034035 -1.3149873), wk = 0.0027701 k( 128) = ( 0.6844180 -0.6838038 -1.2803580), wk = 0.0027701 k( 129) = ( 0.6795649 -0.6642042 -1.2457287), wk = 0.0027701 k( 130) = ( 0.6747118 -0.6446046 -1.2110993), wk = 0.0027701 k( 131) = ( 0.6698587 -0.6250049 -1.1764699), wk = 0.0027701 k( 132) = ( 0.6650056 -0.6054053 -1.1418406), wk = 0.0027701 k( 133) = ( 0.6601525 -0.5858057 -1.1072112), wk = 0.0027701 k( 134) = ( 0.6552994 -0.5662060 -1.0725819), wk = 0.0027701 k( 135) = ( 0.6504463 -0.5466064 -1.0379526), wk = 0.0027701 k( 136) = ( 0.6455932 -0.5270068 -1.0033232), wk = 0.0027701 k( 137) = ( 0.6407401 -0.5074072 -0.9686939), wk = 0.0027701 k( 138) = ( 0.6358870 -0.4878075 -0.9340645), wk = 0.0027701 k( 139) = ( 0.6310339 -0.4682079 -0.8994351), wk = 0.0027701 k( 140) = ( 0.6261808 -0.4486083 -0.8648058), wk = 0.0027701 k( 141) = ( 0.6213277 -0.4290086 -0.8301765), wk = 0.0027701 k( 142) = ( 0.6164745 -0.4094090 -0.7955471), wk = 0.0027701 k( 143) = ( 0.6116215 -0.3898094 -0.7609178), wk = 0.0027701 k( 144) = ( 0.6067683 -0.3702097 -0.7262884), wk = 0.0027701 k( 145) = ( 0.6019152 -0.3506101 -0.6916590), wk = 0.0027701 k( 146) = ( 0.5970621 -0.3310105 -0.6570297), wk = 0.0027701 k( 147) = ( 0.5922090 -0.3114108 -0.6224004), wk = 0.0027701 k( 148) = ( 0.5873559 -0.2918112 -0.5877711), wk = 0.0027701 k( 149) = ( 0.5825028 -0.2722116 -0.5531417), wk = 0.0027701 k( 150) = ( 0.5776497 -0.2526119 -0.5185123), wk = 0.0027701 k( 151) = ( 0.5727966 -0.2330123 -0.4838830), wk = 0.0027701 k( 152) = ( 0.5679435 -0.2134127 -0.4492536), wk = 0.0027701 k( 153) = ( 0.5630904 -0.1938130 -0.4146243), wk = 0.0027701 k( 154) = ( 0.5582373 -0.1742134 -0.3799950), wk = 0.0027701 k( 155) = ( 0.5533842 -0.1546138 -0.3453656), wk = 0.0027701 k( 156) = ( 0.5485311 -0.1350141 -0.3107362), wk = 0.0027701 k( 157) = ( 0.5436780 -0.1154145 -0.2761069), wk = 0.0027701 k( 158) = ( 0.5388249 -0.0958149 -0.2414775), wk = 0.0027701 k( 159) = ( 0.5339717 -0.0762152 -0.2068482), wk = 0.0027701 k( 160) = ( 0.5291186 -0.0566156 -0.1722188), wk = 0.0027701 k( 161) = ( 0.5242655 -0.0370160 -0.1375895), wk = 0.0027701 k( 162) = ( 0.5194124 -0.0174164 -0.1029602), wk = 0.0027701 k( 163) = ( 0.5145593 0.0021833 -0.0683308), wk = 0.0027701 k( 164) = ( 0.5097062 0.0217829 -0.0337014), wk = 0.0027701 k( 165) = ( 0.5048531 0.0413826 0.0009279), wk = 0.0027701 k( 166) = ( 0.5000000 0.0609822 0.0355573), wk = 0.0027701 k( 167) = ( 0.5000000 0.0609822 0.0355573), wk = 0.0027701 k( 168) = ( 0.4615385 0.0562913 0.0328221), wk = 0.0027701 k( 169) = ( 0.4230769 0.0516003 0.0300869), wk = 0.0027701 k( 170) = ( 0.3846154 0.0469094 0.0273517), wk = 0.0027701 k( 171) = ( 0.3461538 0.0422184 0.0246166), wk = 0.0027701 k( 172) = ( 0.3076923 0.0375275 0.0218814), wk = 0.0027701 k( 173) = ( 0.2692308 0.0328366 0.0191462), wk = 0.0027701 k( 174) = ( 0.2307692 0.0281456 0.0164110), wk = 0.0027701 k( 175) = ( 0.1923077 0.0234547 0.0136759), wk = 0.0027701 k( 176) = ( 0.1538461 0.0187638 0.0109407), wk = 0.0027701 k( 177) = ( 0.1153846 0.0140728 0.0082055), wk = 0.0027701 k( 178) = ( 0.0769231 0.0093819 0.0054703), wk = 0.0027701 k( 179) = ( 0.0384615 0.0046909 0.0027352), wk = 0.0027701 k( 180) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 181) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 182) = ( 0.0048550 -0.0196072 -0.0346428), wk = 0.0027701 k( 183) = ( 0.0097100 -0.0392145 -0.0692856), wk = 0.0027701 k( 184) = ( 0.0145650 -0.0588217 -0.1039284), wk = 0.0027701 k( 185) = ( 0.0194200 -0.0784290 -0.1385712), wk = 0.0027701 k( 186) = ( 0.0242750 -0.0980362 -0.1732140), wk = 0.0027701 k( 187) = ( 0.0291300 -0.1176435 -0.2078568), wk = 0.0027701 k( 188) = ( 0.0339849 -0.1372507 -0.2424996), wk = 0.0027701 k( 189) = ( 0.0388399 -0.1568580 -0.2771424), wk = 0.0027701 k( 190) = ( 0.0436949 -0.1764652 -0.3117852), wk = 0.0027701 k( 191) = ( 0.0485499 -0.1960724 -0.3464280), wk = 0.0027701 k( 192) = ( 0.0534049 -0.2156797 -0.3810707), wk = 0.0027701 k( 193) = ( 0.0582599 -0.2352869 -0.4157135), wk = 0.0027701 k( 194) = ( 0.0631149 -0.2548942 -0.4503563), wk = 0.0027701 k( 195) = ( 0.0679699 -0.2745014 -0.4849991), wk = 0.0027701 k( 196) = ( 0.0728249 -0.2941087 -0.5196420), wk = 0.0027701 k( 197) = ( 0.0776799 -0.3137159 -0.5542848), wk = 0.0027701 k( 198) = ( 0.0825349 -0.3333232 -0.5889276), wk = 0.0027701 k( 199) = ( 0.0873898 -0.3529304 -0.6235703), wk = 0.0027701 k( 200) = ( 0.0922448 -0.3725376 -0.6582131), wk = 0.0027701 k( 201) = ( 0.0970998 -0.3921449 -0.6928559), wk = 0.0027701 k( 202) = ( 0.1019548 -0.4117521 -0.7274987), wk = 0.0027701 k( 203) = ( 0.1068098 -0.4313594 -0.7621415), wk = 0.0027701 k( 204) = ( 0.1116648 -0.4509666 -0.7967843), wk = 0.0027701 k( 205) = ( 0.1165198 -0.4705739 -0.8314271), wk = 0.0027701 k( 206) = ( 0.1213748 -0.4901811 -0.8660699), wk = 0.0027701 k( 207) = ( 0.1262298 -0.5097884 -0.9007127), wk = 0.0027701 k( 208) = ( 0.1310848 -0.5293956 -0.9353555), wk = 0.0027701 k( 209) = ( 0.1359397 -0.5490028 -0.9699983), wk = 0.0027701 k( 210) = ( 0.1407947 -0.5686101 -1.0046411), wk = 0.0027701 k( 211) = ( 0.1456497 -0.5882173 -1.0392839), wk = 0.0027701 k( 212) = ( 0.1505047 -0.6078246 -1.0739267), wk = 0.0027701 k( 213) = ( 0.1553597 -0.6274318 -1.1085695), wk = 0.0027701 k( 214) = ( 0.1602147 -0.6470390 -1.1432122), wk = 0.0027701 k( 215) = ( 0.1650697 -0.6666463 -1.1778551), wk = 0.0027701 k( 216) = ( 0.1699247 -0.6862536 -1.2124979), wk = 0.0027701 k( 217) = ( 0.1747797 -0.7058608 -1.2471407), wk = 0.0027701 k( 218) = ( 0.1796347 -0.7254680 -1.2817835), wk = 0.0027701 k( 219) = ( 0.1844897 -0.7450753 -1.3164263), wk = 0.0027701 k( 220) = ( 0.1893447 -0.7646825 -1.3510691), wk = 0.0027701 k( 221) = ( 0.1941996 -0.7842898 -1.3857118), wk = 0.0027701 k( 222) = ( 0.1990546 -0.8038970 -1.4203546), wk = 0.0027701 k( 223) = ( 0.2039096 -0.8235042 -1.4549974), wk = 0.0027701 k( 224) = ( 0.2087646 -0.8431115 -1.4896403), wk = 0.0027701 k( 225) = ( 0.2136196 -0.8627188 -1.5242831), wk = 0.0027701 k( 226) = ( 0.2184746 -0.8823260 -1.5589259), wk = 0.0027701 k( 227) = ( 0.2233296 -0.9019332 -1.5935686), wk = 0.0027701 k( 228) = ( 0.2281846 -0.9215405 -1.6282114), wk = 0.0027701 k( 229) = ( 0.2330396 -0.9411477 -1.6628542), wk = 0.0027701 k( 230) = ( 0.2378946 -0.9607550 -1.6974970), wk = 0.0027701 k( 231) = ( 0.2427496 -0.9803622 -1.7321398), wk = 0.0027701 k( 232) = ( 0.2476045 -0.9999694 -1.7667826), wk = 0.0027701 k( 233) = ( 0.2524595 -1.0195767 -1.8014254), wk = 0.0027701 k( 234) = ( 0.2573145 -1.0391840 -1.8360682), wk = 0.0027701 k( 235) = ( 0.2621695 -1.0587912 -1.8707110), wk = 0.0027701 k( 236) = ( 0.2670245 -1.0783984 -1.9053538), wk = 0.0027701 k( 237) = ( 0.2718795 -1.0980057 -1.9399966), wk = 0.0027701 k( 238) = ( 0.2767345 -1.1176129 -1.9746394), wk = 0.0027701 k( 239) = ( 0.2815895 -1.1372202 -2.0092822), wk = 0.0027701 k( 240) = ( 0.2864445 -1.1568274 -2.0439250), wk = 0.0027701 k( 241) = ( 0.2912995 -1.1764346 -2.0785678), wk = 0.0027701 k( 242) = ( 0.2961545 -1.1960419 -2.1132105), wk = 0.0027701 k( 243) = ( 0.3010094 -1.2156491 -2.1478533), wk = 0.0027701 k( 244) = ( 0.3058644 -1.2352564 -2.1824962), wk = 0.0027701 k( 245) = ( 0.3107194 -1.2548636 -2.2171390), wk = 0.0027701 k( 246) = ( 0.3155744 -1.2744709 -2.2517818), wk = 0.0027701 k( 247) = ( 0.3204294 -1.2940781 -2.2864246), wk = 0.0027701 k( 248) = ( 0.3252844 -1.3136854 -2.3210674), wk = 0.0027701 k( 249) = ( 0.3301394 -1.3332926 -2.3557101), wk = 0.0027701 k( 250) = ( 0.3349944 -1.3528998 -2.3903529), wk = 0.0027701 k( 251) = ( 0.6650056 -1.2919177 -2.3547957), wk = 0.0027701 k( 252) = ( 0.6601525 -1.2521265 -2.3547957), wk = 0.0027701 k( 253) = ( 0.6552994 -1.2123353 -2.3547957), wk = 0.0027701 k( 254) = ( 0.6504463 -1.1725442 -2.3547957), wk = 0.0027701 k( 255) = ( 0.6455932 -1.1327530 -2.3547957), wk = 0.0027701 k( 256) = ( 0.6407401 -1.0929618 -2.3547957), wk = 0.0027701 k( 257) = ( 0.6358870 -1.0531706 -2.3547957), wk = 0.0027701 k( 258) = ( 0.6310339 -1.0133794 -2.3547957), wk = 0.0027701 k( 259) = ( 0.6261808 -0.9735883 -2.3547957), wk = 0.0027701 k( 260) = ( 0.6213277 -0.9337971 -2.3547957), wk = 0.0027701 k( 261) = ( 0.6164745 -0.8940059 -2.3547957), wk = 0.0027701 k( 262) = ( 0.6116215 -0.8542148 -2.3547957), wk = 0.0027701 k( 263) = ( 0.6067683 -0.8144236 -2.3547957), wk = 0.0027701 k( 264) = ( 0.6019152 -0.7746324 -2.3547957), wk = 0.0027701 k( 265) = ( 0.5970621 -0.7348413 -2.3547957), wk = 0.0027701 k( 266) = ( 0.5922090 -0.6950501 -2.3547957), wk = 0.0027701 k( 267) = ( 0.5873559 -0.6552589 -2.3547957), wk = 0.0027701 k( 268) = ( 0.5825028 -0.6154677 -2.3547957), wk = 0.0027701 k( 269) = ( 0.5776497 -0.5756765 -2.3547957), wk = 0.0027701 k( 270) = ( 0.5727966 -0.5358854 -2.3547957), wk = 0.0027701 k( 271) = ( 0.5679435 -0.4960942 -2.3547957), wk = 0.0027701 k( 272) = ( 0.5630904 -0.4563030 -2.3547957), wk = 0.0027701 k( 273) = ( 0.5582373 -0.4165119 -2.3547957), wk = 0.0027701 k( 274) = ( 0.5533842 -0.3767207 -2.3547957), wk = 0.0027701 k( 275) = ( 0.5485311 -0.3369295 -2.3547957), wk = 0.0027701 k( 276) = ( 0.5436780 -0.2971384 -2.3547957), wk = 0.0027701 k( 277) = ( 0.5388249 -0.2573472 -2.3547957), wk = 0.0027701 k( 278) = ( 0.5339717 -0.2175560 -2.3547957), wk = 0.0027701 k( 279) = ( 0.5291186 -0.1777648 -2.3547957), wk = 0.0027701 k( 280) = ( 0.5242655 -0.1379736 -2.3547957), wk = 0.0027701 k( 281) = ( 0.5194124 -0.0981825 -2.3547957), wk = 0.0027701 k( 282) = ( 0.5145593 -0.0583913 -2.3547957), wk = 0.0027701 k( 283) = ( 0.5097062 -0.0186001 -2.3547957), wk = 0.0027701 k( 284) = ( 0.5048531 0.0211910 -2.3547957), wk = 0.0027701 k( 285) = ( 0.5000000 0.0609822 -2.3547957), wk = 0.0027701 k( 286) = ( 0.5000000 0.0609822 -2.3547957), wk = 0.0027701 k( 287) = ( 0.5330011 0.0650072 -2.3476842), wk = 0.0027701 k( 288) = ( 0.5660023 0.0690321 -2.3405728), wk = 0.0027701 k( 289) = ( 0.5990034 0.0730571 -2.3334613), wk = 0.0027701 k( 290) = ( 0.6320045 0.0770820 -2.3263499), wk = 0.0027701 k( 291) = ( 0.6650056 0.0811070 -2.3192385), wk = 0.0027701 k( 292) = ( 0.6650056 0.0811070 -2.3192385), wk = 0.0027701 k( 293) = ( 0.6622089 0.0807659 -2.2793266), wk = 0.0027701 k( 294) = ( 0.6594122 0.0804248 -2.2394149), wk = 0.0027701 k( 295) = ( 0.6566155 0.0800837 -2.1995030), wk = 0.0027701 k( 296) = ( 0.6538188 0.0797426 -2.1595913), wk = 0.0027701 k( 297) = ( 0.6510221 0.0794015 -2.1196795), wk = 0.0027701 k( 298) = ( 0.6482254 0.0790604 -2.0797677), wk = 0.0027701 k( 299) = ( 0.6454287 0.0787193 -2.0398559), wk = 0.0027701 k( 300) = ( 0.6426320 0.0783782 -1.9999441), wk = 0.0027701 k( 301) = ( 0.6398353 0.0780371 -1.9600323), wk = 0.0027701 k( 302) = ( 0.6370386 0.0776960 -1.9201205), wk = 0.0027701 k( 303) = ( 0.6342419 0.0773549 -1.8802088), wk = 0.0027701 k( 304) = ( 0.6314452 0.0770138 -1.8402969), wk = 0.0027701 k( 305) = ( 0.6286485 0.0766727 -1.8003852), wk = 0.0027701 k( 306) = ( 0.6258517 0.0763316 -1.7604733), wk = 0.0027701 k( 307) = ( 0.6230550 0.0759905 -1.7205616), wk = 0.0027701 k( 308) = ( 0.6202583 0.0756494 -1.6806498), wk = 0.0027701 k( 309) = ( 0.6174616 0.0753083 -1.6407380), wk = 0.0027701 k( 310) = ( 0.6146649 0.0749672 -1.6008262), wk = 0.0027701 k( 311) = ( 0.6118682 0.0746261 -1.5609144), wk = 0.0027701 k( 312) = ( 0.6090715 0.0742850 -1.5210026), wk = 0.0027701 k( 313) = ( 0.6062748 0.0739439 -1.4810908), wk = 0.0027701 k( 314) = ( 0.6034781 0.0736028 -1.4411790), wk = 0.0027701 k( 315) = ( 0.6006814 0.0732617 -1.4012672), wk = 0.0027701 k( 316) = ( 0.5978847 0.0729206 -1.3613555), wk = 0.0027701 k( 317) = ( 0.5950880 0.0725795 -1.3214437), wk = 0.0027701 k( 318) = ( 0.5922913 0.0722384 -1.2815319), wk = 0.0027701 k( 319) = ( 0.5894946 0.0718974 -1.2416200), wk = 0.0027701 k( 320) = ( 0.5866979 0.0715563 -1.2017083), wk = 0.0027701 k( 321) = ( 0.5839012 0.0712152 -1.1617965), wk = 0.0027701 k( 322) = ( 0.5811045 0.0708741 -1.1218847), wk = 0.0027701 k( 323) = ( 0.5783078 0.0705330 -1.0819729), wk = 0.0027701 k( 324) = ( 0.5755111 0.0701919 -1.0420611), wk = 0.0027701 k( 325) = ( 0.5727143 0.0698508 -1.0021493), wk = 0.0027701 k( 326) = ( 0.5699176 0.0695097 -0.9622375), wk = 0.0027701 k( 327) = ( 0.5671209 0.0691686 -0.9223258), wk = 0.0027701 k( 328) = ( 0.5643242 0.0688275 -0.8824139), wk = 0.0027701 k( 329) = ( 0.5615275 0.0684864 -0.8425022), wk = 0.0027701 k( 330) = ( 0.5587308 0.0681453 -0.8025904), wk = 0.0027701 k( 331) = ( 0.5559341 0.0678042 -0.7626786), wk = 0.0027701 k( 332) = ( 0.5531374 0.0674631 -0.7227668), wk = 0.0027701 k( 333) = ( 0.5503407 0.0671220 -0.6828550), wk = 0.0027701 k( 334) = ( 0.5475440 0.0667809 -0.6429432), wk = 0.0027701 k( 335) = ( 0.5447473 0.0664398 -0.6030314), wk = 0.0027701 k( 336) = ( 0.5419506 0.0660987 -0.5631196), wk = 0.0027701 k( 337) = ( 0.5391539 0.0657576 -0.5232078), wk = 0.0027701 k( 338) = ( 0.5363572 0.0654165 -0.4832960), wk = 0.0027701 k( 339) = ( 0.5335605 0.0650754 -0.4433842), wk = 0.0027701 k( 340) = ( 0.5307638 0.0647343 -0.4034725), wk = 0.0027701 k( 341) = ( 0.5279670 0.0643932 -0.3635607), wk = 0.0027701 k( 342) = ( 0.5251704 0.0640521 -0.3236489), wk = 0.0027701 k( 343) = ( 0.5223736 0.0637110 -0.2837371), wk = 0.0027701 k( 344) = ( 0.5195769 0.0633699 -0.2438253), wk = 0.0027701 k( 345) = ( 0.5167802 0.0630288 -0.2039135), wk = 0.0027701 k( 346) = ( 0.5139835 0.0626877 -0.1640017), wk = 0.0027701 k( 347) = ( 0.5111868 0.0623466 -0.1240899), wk = 0.0027701 k( 348) = ( 0.5083901 0.0620055 -0.0841781), wk = 0.0027701 k( 349) = ( 0.5055934 0.0616644 -0.0442663), wk = 0.0027701 k( 350) = ( 0.5027967 0.0613233 -0.0043546), wk = 0.0027701 k( 351) = ( 0.5000000 0.0609822 0.0355573), wk = 0.0027701 k( 352) = ( 0.5000000 -2.0192874 -1.1773978), wk = 0.0027701 k( 353) = ( 0.5366679 -2.0125116 -1.1734470), wk = 0.0027701 k( 354) = ( 0.5733358 -2.0057358 -1.1694962), wk = 0.0027701 k( 355) = ( 0.6100037 -1.9989600 -1.1655455), wk = 0.0027701 k( 356) = ( 0.6466717 -1.9921842 -1.1615946), wk = 0.0027701 k( 357) = ( 0.6833396 -1.9854084 -1.1576438), wk = 0.0027701 k( 358) = ( 0.7200075 -1.9786326 -1.1536930), wk = 0.0027701 k( 359) = ( 0.7566754 -1.9718568 -1.1497422), wk = 0.0027701 k( 360) = ( 0.7933433 -1.9650810 -1.1457914), wk = 0.0027701 k( 361) = ( 0.8300112 -1.9583052 -1.1418406), wk = 0.0027701 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 2) = ( 0.0083333 0.0000000 0.0000000), wk = 0.0027701 k( 3) = ( 0.0166667 0.0000000 0.0000000), wk = 0.0027701 k( 4) = ( 0.0250000 0.0000000 0.0000000), wk = 0.0027701 k( 5) = ( 0.0333333 0.0000000 0.0000000), wk = 0.0027701 k( 6) = ( 0.0416667 0.0000000 0.0000000), wk = 0.0027701 k( 7) = ( 0.0500000 0.0000000 0.0000000), wk = 0.0027701 k( 8) = ( 0.0583333 0.0000000 0.0000000), wk = 0.0027701 k( 9) = ( 0.0666667 0.0000000 0.0000000), wk = 0.0027701 k( 10) = ( 0.0750000 0.0000000 0.0000000), wk = 0.0027701 k( 11) = ( 0.0833333 0.0000000 0.0000000), wk = 0.0027701 k( 12) = ( 0.0916667 -0.0000000 0.0000000), wk = 0.0027701 k( 13) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0027701 k( 14) = ( 0.1083333 0.0000000 0.0000000), wk = 0.0027701 k( 15) = ( 0.1166667 0.0000000 -0.0000000), wk = 0.0027701 k( 16) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0027701 k( 17) = ( 0.1333333 0.0000000 0.0000000), wk = 0.0027701 k( 18) = ( 0.1416667 0.0000000 0.0000000), wk = 0.0027701 k( 19) = ( 0.1500000 0.0000000 0.0000000), wk = 0.0027701 k( 20) = ( 0.1583333 0.0000000 0.0000000), wk = 0.0027701 k( 21) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0027701 k( 22) = ( 0.1750000 0.0000000 0.0000000), wk = 0.0027701 k( 23) = ( 0.1833333 0.0000000 0.0000000), wk = 0.0027701 k( 24) = ( 0.1916667 0.0000000 0.0000000), wk = 0.0027701 k( 25) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0027701 k( 26) = ( 0.2083333 0.0000000 0.0000000), wk = 0.0027701 k( 27) = ( 0.2166667 0.0000000 0.0000000), wk = 0.0027701 k( 28) = ( 0.2250000 0.0000000 0.0000000), wk = 0.0027701 k( 29) = ( 0.2333333 0.0000000 0.0000000), wk = 0.0027701 k( 30) = ( 0.2416667 0.0000000 0.0000000), wk = 0.0027701 k( 31) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0027701 k( 32) = ( 0.2583333 0.0000000 0.0000000), wk = 0.0027701 k( 33) = ( 0.2666667 0.0000000 0.0000000), wk = 0.0027701 k( 34) = ( 0.2750000 0.0000000 0.0000000), wk = 0.0027701 k( 35) = ( 0.2833333 0.0000000 0.0000000), wk = 0.0027701 k( 36) = ( 0.2916667 0.0000000 -0.0000000), wk = 0.0027701 k( 37) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0027701 k( 38) = ( 0.3083333 0.0000000 0.0000000), wk = 0.0027701 k( 39) = ( 0.3166667 0.0000000 0.0000000), wk = 0.0027701 k( 40) = ( 0.3250000 0.0000000 -0.0000000), wk = 0.0027701 k( 41) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0027701 k( 42) = ( 0.3416667 0.0000000 0.0000000), wk = 0.0027701 k( 43) = ( 0.3500000 0.0000000 0.0000000), wk = 0.0027701 k( 44) = ( 0.3583333 0.0000000 0.0000000), wk = 0.0027701 k( 45) = ( 0.3666667 0.0000000 0.0000000), wk = 0.0027701 k( 46) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0027701 k( 47) = ( 0.3833333 0.0000000 0.0000000), wk = 0.0027701 k( 48) = ( 0.3916667 0.0000000 0.0000000), wk = 0.0027701 k( 49) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0027701 k( 50) = ( 0.4083333 0.0000000 0.0000000), wk = 0.0027701 k( 51) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0027701 k( 52) = ( 0.4250000 0.0000000 0.0000000), wk = 0.0027701 k( 53) = ( 0.4333333 0.0000000 0.0000000), wk = 0.0027701 k( 54) = ( 0.4416667 0.0000000 0.0000000), wk = 0.0027701 k( 55) = ( 0.4500000 0.0000000 0.0000000), wk = 0.0027701 k( 56) = ( 0.4583333 0.0000000 0.0000000), wk = 0.0027701 k( 57) = ( 0.4666667 0.0000000 0.0000000), wk = 0.0027701 k( 58) = ( 0.4750000 0.0000000 0.0000000), wk = 0.0027701 k( 59) = ( 0.4833333 0.0000000 0.0000000), wk = 0.0027701 k( 60) = ( 0.4916667 0.0000000 0.0000000), wk = 0.0027701 k( 61) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027701 k( 62) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027701 k( 63) = ( 0.5000000 0.0048568 -0.0048568), wk = 0.0027701 k( 64) = ( 0.5000000 0.0097136 -0.0097136), wk = 0.0027701 k( 65) = ( 0.5000000 0.0145705 -0.0145705), wk = 0.0027701 k( 66) = ( 0.5000000 0.0194273 -0.0194273), wk = 0.0027701 k( 67) = ( 0.5000000 0.0242841 -0.0242841), wk = 0.0027701 k( 68) = ( 0.5000000 0.0291409 -0.0291409), wk = 0.0027701 k( 69) = ( 0.5000000 0.0339977 -0.0339977), wk = 0.0027701 k( 70) = ( 0.5000000 0.0388546 -0.0388546), wk = 0.0027701 k( 71) = ( 0.5000000 0.0437114 -0.0437114), wk = 0.0027701 k( 72) = ( 0.5000000 0.0485682 -0.0485682), wk = 0.0027701 k( 73) = ( 0.5000000 0.0534250 -0.0534250), wk = 0.0027701 k( 74) = ( 0.5000000 0.0582819 -0.0582819), wk = 0.0027701 k( 75) = ( 0.5000000 0.0631387 -0.0631387), wk = 0.0027701 k( 76) = ( 0.5000000 0.0679955 -0.0679955), wk = 0.0027701 k( 77) = ( 0.5000000 0.0728523 -0.0728523), wk = 0.0027701 k( 78) = ( 0.5000000 0.0777092 -0.0777091), wk = 0.0027701 k( 79) = ( 0.5000000 0.0825660 -0.0825660), wk = 0.0027701 k( 80) = ( 0.5000000 0.0874228 -0.0874228), wk = 0.0027701 k( 81) = ( 0.5000000 0.0922796 -0.0922796), wk = 0.0027701 k( 82) = ( 0.5000000 0.0971364 -0.0971364), wk = 0.0027701 k( 83) = ( 0.5000000 0.1019933 -0.1019933), wk = 0.0027701 k( 84) = ( 0.5000000 0.1068501 -0.1068501), wk = 0.0027701 k( 85) = ( 0.5000000 0.1117069 -0.1117069), wk = 0.0027701 k( 86) = ( 0.5000000 0.1165637 -0.1165637), wk = 0.0027701 k( 87) = ( 0.5000000 0.1214206 -0.1214205), wk = 0.0027701 k( 88) = ( 0.5000000 0.1262774 -0.1262774), wk = 0.0027701 k( 89) = ( 0.5000000 0.1311342 -0.1311342), wk = 0.0027701 k( 90) = ( 0.5000000 0.1359910 -0.1359910), wk = 0.0027701 k( 91) = ( 0.5000000 0.1408478 -0.1408478), wk = 0.0027701 k( 92) = ( 0.5000000 0.1457047 -0.1457047), wk = 0.0027701 k( 93) = ( 0.5000000 0.1505615 -0.1505615), wk = 0.0027701 k( 94) = ( 0.5000000 0.1554183 -0.1554183), wk = 0.0027701 k( 95) = ( 0.5000000 0.1602751 -0.1602751), wk = 0.0027701 k( 96) = ( 0.5000000 0.1651319 -0.1651319), wk = 0.0027701 k( 97) = ( 0.5000000 0.1699888 -0.1699888), wk = 0.0027701 k( 98) = ( 0.8300112 0.5000000 0.1699888), wk = 0.0027701 k( 99) = ( 0.8251581 0.5000000 0.1748419), wk = 0.0027701 k( 100) = ( 0.8203050 0.5000000 0.1796950), wk = 0.0027701 k( 101) = ( 0.8154519 0.5000000 0.1845481), wk = 0.0027701 k( 102) = ( 0.8105988 0.5000000 0.1894012), wk = 0.0027701 k( 103) = ( 0.8057457 0.5000000 0.1942543), wk = 0.0027701 k( 104) = ( 0.8008926 0.5000000 0.1991074), wk = 0.0027701 k( 105) = ( 0.7960395 0.5000000 0.2039605), wk = 0.0027701 k( 106) = ( 0.7911864 0.5000000 0.2088136), wk = 0.0027701 k( 107) = ( 0.7863333 0.5000000 0.2136667), wk = 0.0027701 k( 108) = ( 0.7814802 0.5000000 0.2185198), wk = 0.0027701 k( 109) = ( 0.7766271 0.5000000 0.2233729), wk = 0.0027701 k( 110) = ( 0.7717740 0.5000000 0.2282260), wk = 0.0027701 k( 111) = ( 0.7669208 0.5000000 0.2330792), wk = 0.0027701 k( 112) = ( 0.7620678 0.5000000 0.2379322), wk = 0.0027701 k( 113) = ( 0.7572146 0.5000000 0.2427854), wk = 0.0027701 k( 114) = ( 0.7523615 0.5000000 0.2476385), wk = 0.0027701 k( 115) = ( 0.7475084 0.5000000 0.2524916), wk = 0.0027701 k( 116) = ( 0.7426553 0.5000000 0.2573447), wk = 0.0027701 k( 117) = ( 0.7378022 0.5000000 0.2621978), wk = 0.0027701 k( 118) = ( 0.7329491 0.5000000 0.2670509), wk = 0.0027701 k( 119) = ( 0.7280960 0.5000000 0.2719040), wk = 0.0027701 k( 120) = ( 0.7232429 0.5000000 0.2767571), wk = 0.0027701 k( 121) = ( 0.7183898 0.5000000 0.2816102), wk = 0.0027701 k( 122) = ( 0.7135367 0.5000000 0.2864633), wk = 0.0027701 k( 123) = ( 0.7086836 0.5000000 0.2913164), wk = 0.0027701 k( 124) = ( 0.7038305 0.5000000 0.2961695), wk = 0.0027701 k( 125) = ( 0.6989774 0.5000000 0.3010226), wk = 0.0027701 k( 126) = ( 0.6941243 0.5000000 0.3058757), wk = 0.0027701 k( 127) = ( 0.6892712 0.5000000 0.3107289), wk = 0.0027701 k( 128) = ( 0.6844180 0.5000000 0.3155820), wk = 0.0027701 k( 129) = ( 0.6795649 0.5000000 0.3204351), wk = 0.0027701 k( 130) = ( 0.6747118 0.5000000 0.3252882), wk = 0.0027701 k( 131) = ( 0.6698587 0.5000000 0.3301413), wk = 0.0027701 k( 132) = ( 0.6650056 0.5000000 0.3349944), wk = 0.0027701 k( 133) = ( 0.6601525 0.5000000 0.3398475), wk = 0.0027701 k( 134) = ( 0.6552994 0.5000000 0.3447006), wk = 0.0027701 k( 135) = ( 0.6504463 0.5000000 0.3495537), wk = 0.0027701 k( 136) = ( 0.6455932 0.5000000 0.3544068), wk = 0.0027701 k( 137) = ( 0.6407401 0.5000000 0.3592599), wk = 0.0027701 k( 138) = ( 0.6358870 0.5000000 0.3641130), wk = 0.0027701 k( 139) = ( 0.6310339 0.5000000 0.3689661), wk = 0.0027701 k( 140) = ( 0.6261808 0.5000000 0.3738192), wk = 0.0027701 k( 141) = ( 0.6213277 0.5000000 0.3786723), wk = 0.0027701 k( 142) = ( 0.6164745 0.5000000 0.3835254), wk = 0.0027701 k( 143) = ( 0.6116215 0.5000000 0.3883785), wk = 0.0027701 k( 144) = ( 0.6067683 0.5000000 0.3932317), wk = 0.0027701 k( 145) = ( 0.6019152 0.5000000 0.3980848), wk = 0.0027701 k( 146) = ( 0.5970621 0.5000000 0.4029379), wk = 0.0027701 k( 147) = ( 0.5922090 0.5000000 0.4077910), wk = 0.0027701 k( 148) = ( 0.5873559 0.5000000 0.4126441), wk = 0.0027701 k( 149) = ( 0.5825028 0.5000000 0.4174972), wk = 0.0027701 k( 150) = ( 0.5776497 0.5000000 0.4223503), wk = 0.0027701 k( 151) = ( 0.5727966 0.5000000 0.4272034), wk = 0.0027701 k( 152) = ( 0.5679435 0.5000000 0.4320565), wk = 0.0027701 k( 153) = ( 0.5630904 0.5000000 0.4369096), wk = 0.0027701 k( 154) = ( 0.5582373 0.5000000 0.4417627), wk = 0.0027701 k( 155) = ( 0.5533842 0.5000000 0.4466158), wk = 0.0027701 k( 156) = ( 0.5485311 0.5000000 0.4514689), wk = 0.0027701 k( 157) = ( 0.5436780 0.5000000 0.4563220), wk = 0.0027701 k( 158) = ( 0.5388249 0.5000000 0.4611752), wk = 0.0027701 k( 159) = ( 0.5339717 0.5000000 0.4660283), wk = 0.0027701 k( 160) = ( 0.5291186 0.5000000 0.4708814), wk = 0.0027701 k( 161) = ( 0.5242655 0.5000000 0.4757345), wk = 0.0027701 k( 162) = ( 0.5194124 0.5000000 0.4805876), wk = 0.0027701 k( 163) = ( 0.5145593 0.5000000 0.4854407), wk = 0.0027701 k( 164) = ( 0.5097062 0.5000000 0.4902938), wk = 0.0027701 k( 165) = ( 0.5048531 0.5000000 0.4951469), wk = 0.0027701 k( 166) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027701 k( 167) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027701 k( 168) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0027701 k( 169) = ( 0.4230769 0.4230769 0.4230769), wk = 0.0027701 k( 170) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0027701 k( 171) = ( 0.3461538 0.3461538 0.3461538), wk = 0.0027701 k( 172) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0027701 k( 173) = ( 0.2692308 0.2692308 0.2692308), wk = 0.0027701 k( 174) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0027701 k( 175) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0027701 k( 176) = ( 0.1538461 0.1538461 0.1538462), wk = 0.0027701 k( 177) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0027701 k( 178) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0027701 k( 179) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0027701 k( 180) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 181) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 182) = ( 0.0048550 0.0000000 -0.0048550), wk = 0.0027701 k( 183) = ( 0.0097100 0.0000000 -0.0097100), wk = 0.0027701 k( 184) = ( 0.0145650 0.0000000 -0.0145650), wk = 0.0027701 k( 185) = ( 0.0194200 0.0000000 -0.0194200), wk = 0.0027701 k( 186) = ( 0.0242750 0.0000000 -0.0242750), wk = 0.0027701 k( 187) = ( 0.0291300 0.0000000 -0.0291300), wk = 0.0027701 k( 188) = ( 0.0339849 0.0000000 -0.0339849), wk = 0.0027701 k( 189) = ( 0.0388399 0.0000000 -0.0388399), wk = 0.0027701 k( 190) = ( 0.0436949 0.0000000 -0.0436949), wk = 0.0027701 k( 191) = ( 0.0485499 0.0000000 -0.0485499), wk = 0.0027701 k( 192) = ( 0.0534049 0.0000000 -0.0534049), wk = 0.0027701 k( 193) = ( 0.0582599 0.0000000 -0.0582599), wk = 0.0027701 k( 194) = ( 0.0631149 0.0000000 -0.0631149), wk = 0.0027701 k( 195) = ( 0.0679699 0.0000000 -0.0679699), wk = 0.0027701 k( 196) = ( 0.0728249 0.0000000 -0.0728249), wk = 0.0027701 k( 197) = ( 0.0776799 0.0000000 -0.0776799), wk = 0.0027701 k( 198) = ( 0.0825349 0.0000000 -0.0825348), wk = 0.0027701 k( 199) = ( 0.0873898 0.0000000 -0.0873898), wk = 0.0027701 k( 200) = ( 0.0922448 0.0000000 -0.0922448), wk = 0.0027701 k( 201) = ( 0.0970998 0.0000000 -0.0970998), wk = 0.0027701 k( 202) = ( 0.1019548 0.0000000 -0.1019548), wk = 0.0027701 k( 203) = ( 0.1068098 0.0000000 -0.1068098), wk = 0.0027701 k( 204) = ( 0.1116648 0.0000000 -0.1116648), wk = 0.0027701 k( 205) = ( 0.1165198 0.0000000 -0.1165198), wk = 0.0027701 k( 206) = ( 0.1213748 0.0000000 -0.1213748), wk = 0.0027701 k( 207) = ( 0.1262298 0.0000000 -0.1262298), wk = 0.0027701 k( 208) = ( 0.1310848 0.0000000 -0.1310848), wk = 0.0027701 k( 209) = ( 0.1359397 0.0000000 -0.1359397), wk = 0.0027701 k( 210) = ( 0.1407947 0.0000000 -0.1407947), wk = 0.0027701 k( 211) = ( 0.1456497 0.0000000 -0.1456497), wk = 0.0027701 k( 212) = ( 0.1505047 0.0000000 -0.1505047), wk = 0.0027701 k( 213) = ( 0.1553597 0.0000000 -0.1553597), wk = 0.0027701 k( 214) = ( 0.1602147 0.0000000 -0.1602147), wk = 0.0027701 k( 215) = ( 0.1650697 0.0000000 -0.1650697), wk = 0.0027701 k( 216) = ( 0.1699247 0.0000000 -0.1699247), wk = 0.0027701 k( 217) = ( 0.1747797 0.0000000 -0.1747797), wk = 0.0027701 k( 218) = ( 0.1796347 0.0000000 -0.1796347), wk = 0.0027701 k( 219) = ( 0.1844897 0.0000000 -0.1844897), wk = 0.0027701 k( 220) = ( 0.1893447 0.0000000 -0.1893446), wk = 0.0027701 k( 221) = ( 0.1941996 0.0000000 -0.1941996), wk = 0.0027701 k( 222) = ( 0.1990546 0.0000000 -0.1990546), wk = 0.0027701 k( 223) = ( 0.2039096 0.0000000 -0.2039096), wk = 0.0027701 k( 224) = ( 0.2087646 0.0000000 -0.2087646), wk = 0.0027701 k( 225) = ( 0.2136196 0.0000000 -0.2136196), wk = 0.0027701 k( 226) = ( 0.2184746 0.0000000 -0.2184746), wk = 0.0027701 k( 227) = ( 0.2233296 0.0000000 -0.2233296), wk = 0.0027701 k( 228) = ( 0.2281846 0.0000000 -0.2281846), wk = 0.0027701 k( 229) = ( 0.2330396 0.0000000 -0.2330396), wk = 0.0027701 k( 230) = ( 0.2378946 0.0000000 -0.2378946), wk = 0.0027701 k( 231) = ( 0.2427496 0.0000000 -0.2427495), wk = 0.0027701 k( 232) = ( 0.2476045 -0.0000000 -0.2476045), wk = 0.0027701 k( 233) = ( 0.2524595 -0.0000000 -0.2524595), wk = 0.0027701 k( 234) = ( 0.2573145 0.0000000 -0.2573145), wk = 0.0027701 k( 235) = ( 0.2621695 0.0000000 -0.2621695), wk = 0.0027701 k( 236) = ( 0.2670245 0.0000000 -0.2670245), wk = 0.0027701 k( 237) = ( 0.2718795 0.0000000 -0.2718795), wk = 0.0027701 k( 238) = ( 0.2767345 0.0000000 -0.2767345), wk = 0.0027701 k( 239) = ( 0.2815895 0.0000000 -0.2815895), wk = 0.0027701 k( 240) = ( 0.2864445 0.0000000 -0.2864445), wk = 0.0027701 k( 241) = ( 0.2912995 0.0000000 -0.2912995), wk = 0.0027701 k( 242) = ( 0.2961545 0.0000000 -0.2961544), wk = 0.0027701 k( 243) = ( 0.3010094 0.0000000 -0.3010094), wk = 0.0027701 k( 244) = ( 0.3058644 0.0000000 -0.3058644), wk = 0.0027701 k( 245) = ( 0.3107194 0.0000000 -0.3107194), wk = 0.0027701 k( 246) = ( 0.3155744 0.0000000 -0.3155744), wk = 0.0027701 k( 247) = ( 0.3204294 0.0000000 -0.3204294), wk = 0.0027701 k( 248) = ( 0.3252844 0.0000000 -0.3252844), wk = 0.0027701 k( 249) = ( 0.3301394 -0.0000000 -0.3301394), wk = 0.0027701 k( 250) = ( 0.3349944 0.0000000 -0.3349944), wk = 0.0027701 k( 251) = ( 0.6650056 0.3349944 0.0000000), wk = 0.0027701 k( 252) = ( 0.6601525 0.3398475 0.0000000), wk = 0.0027701 k( 253) = ( 0.6552994 0.3447006 0.0000000), wk = 0.0027701 k( 254) = ( 0.6504463 0.3495537 0.0000000), wk = 0.0027701 k( 255) = ( 0.6455932 0.3544068 0.0000000), wk = 0.0027701 k( 256) = ( 0.6407401 0.3592599 0.0000000), wk = 0.0027701 k( 257) = ( 0.6358870 0.3641130 0.0000000), wk = 0.0027701 k( 258) = ( 0.6310339 0.3689661 0.0000000), wk = 0.0027701 k( 259) = ( 0.6261808 0.3738192 0.0000000), wk = 0.0027701 k( 260) = ( 0.6213277 0.3786723 0.0000000), wk = 0.0027701 k( 261) = ( 0.6164745 0.3835254 -0.0000000), wk = 0.0027701 k( 262) = ( 0.6116215 0.3883785 0.0000000), wk = 0.0027701 k( 263) = ( 0.6067683 0.3932317 0.0000000), wk = 0.0027701 k( 264) = ( 0.6019152 0.3980848 0.0000000), wk = 0.0027701 k( 265) = ( 0.5970621 0.4029379 0.0000000), wk = 0.0027701 k( 266) = ( 0.5922090 0.4077910 -0.0000000), wk = 0.0027701 k( 267) = ( 0.5873559 0.4126441 0.0000000), wk = 0.0027701 k( 268) = ( 0.5825028 0.4174972 0.0000000), wk = 0.0027701 k( 269) = ( 0.5776497 0.4223503 0.0000000), wk = 0.0027701 k( 270) = ( 0.5727966 0.4272034 0.0000000), wk = 0.0027701 k( 271) = ( 0.5679435 0.4320565 -0.0000000), wk = 0.0027701 k( 272) = ( 0.5630904 0.4369096 0.0000000), wk = 0.0027701 k( 273) = ( 0.5582373 0.4417627 0.0000000), wk = 0.0027701 k( 274) = ( 0.5533842 0.4466158 -0.0000000), wk = 0.0027701 k( 275) = ( 0.5485311 0.4514689 0.0000000), wk = 0.0027701 k( 276) = ( 0.5436780 0.4563220 -0.0000000), wk = 0.0027701 k( 277) = ( 0.5388249 0.4611751 -0.0000000), wk = 0.0027701 k( 278) = ( 0.5339717 0.4660283 0.0000000), wk = 0.0027701 k( 279) = ( 0.5291186 0.4708814 0.0000000), wk = 0.0027701 k( 280) = ( 0.5242655 0.4757345 -0.0000000), wk = 0.0027701 k( 281) = ( 0.5194124 0.4805876 -0.0000000), wk = 0.0027701 k( 282) = ( 0.5145593 0.4854407 -0.0000000), wk = 0.0027701 k( 283) = ( 0.5097062 0.4902938 -0.0000000), wk = 0.0027701 k( 284) = ( 0.5048531 0.4951469 -0.0000000), wk = 0.0027701 k( 285) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027701 k( 286) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027701 k( 287) = ( 0.5330011 0.5330011 0.0339978), wk = 0.0027701 k( 288) = ( 0.5660023 0.5660023 0.0679955), wk = 0.0027701 k( 289) = ( 0.5990034 0.5990034 0.1019933), wk = 0.0027701 k( 290) = ( 0.6320045 0.6320045 0.1359910), wk = 0.0027701 k( 291) = ( 0.6650056 0.6650056 0.1699888), wk = 0.0027701 k( 292) = ( 0.6650056 0.6650056 0.1699888), wk = 0.0027701 k( 293) = ( 0.6622089 0.6622089 0.1755822), wk = 0.0027701 k( 294) = ( 0.6594122 0.6594122 0.1811756), wk = 0.0027701 k( 295) = ( 0.6566155 0.6566155 0.1867690), wk = 0.0027701 k( 296) = ( 0.6538188 0.6538188 0.1923624), wk = 0.0027701 k( 297) = ( 0.6510221 0.6510221 0.1979558), wk = 0.0027701 k( 298) = ( 0.6482254 0.6482254 0.2035492), wk = 0.0027701 k( 299) = ( 0.6454287 0.6454287 0.2091426), wk = 0.0027701 k( 300) = ( 0.6426320 0.6426320 0.2147361), wk = 0.0027701 k( 301) = ( 0.6398353 0.6398353 0.2203295), wk = 0.0027701 k( 302) = ( 0.6370386 0.6370386 0.2259229), wk = 0.0027701 k( 303) = ( 0.6342419 0.6342419 0.2315163), wk = 0.0027701 k( 304) = ( 0.6314452 0.6314452 0.2371097), wk = 0.0027701 k( 305) = ( 0.6286485 0.6286485 0.2427031), wk = 0.0027701 k( 306) = ( 0.6258517 0.6258517 0.2482965), wk = 0.0027701 k( 307) = ( 0.6230550 0.6230550 0.2538899), wk = 0.0027701 k( 308) = ( 0.6202583 0.6202583 0.2594833), wk = 0.0027701 k( 309) = ( 0.6174616 0.6174616 0.2650768), wk = 0.0027701 k( 310) = ( 0.6146649 0.6146649 0.2706702), wk = 0.0027701 k( 311) = ( 0.6118682 0.6118682 0.2762636), wk = 0.0027701 k( 312) = ( 0.6090715 0.6090715 0.2818570), wk = 0.0027701 k( 313) = ( 0.6062748 0.6062748 0.2874504), wk = 0.0027701 k( 314) = ( 0.6034781 0.6034781 0.2930438), wk = 0.0027701 k( 315) = ( 0.6006814 0.6006814 0.2986372), wk = 0.0027701 k( 316) = ( 0.5978847 0.5978847 0.3042306), wk = 0.0027701 k( 317) = ( 0.5950880 0.5950880 0.3098240), wk = 0.0027701 k( 318) = ( 0.5922913 0.5922913 0.3154174), wk = 0.0027701 k( 319) = ( 0.5894946 0.5894946 0.3210109), wk = 0.0027701 k( 320) = ( 0.5866979 0.5866979 0.3266043), wk = 0.0027701 k( 321) = ( 0.5839012 0.5839012 0.3321977), wk = 0.0027701 k( 322) = ( 0.5811045 0.5811045 0.3377911), wk = 0.0027701 k( 323) = ( 0.5783078 0.5783077 0.3433845), wk = 0.0027701 k( 324) = ( 0.5755111 0.5755111 0.3489779), wk = 0.0027701 k( 325) = ( 0.5727143 0.5727143 0.3545713), wk = 0.0027701 k( 326) = ( 0.5699176 0.5699176 0.3601647), wk = 0.0027701 k( 327) = ( 0.5671209 0.5671209 0.3657581), wk = 0.0027701 k( 328) = ( 0.5643242 0.5643242 0.3713516), wk = 0.0027701 k( 329) = ( 0.5615275 0.5615275 0.3769450), wk = 0.0027701 k( 330) = ( 0.5587308 0.5587308 0.3825384), wk = 0.0027701 k( 331) = ( 0.5559341 0.5559341 0.3881318), wk = 0.0027701 k( 332) = ( 0.5531374 0.5531374 0.3937252), wk = 0.0027701 k( 333) = ( 0.5503407 0.5503407 0.3993186), wk = 0.0027701 k( 334) = ( 0.5475440 0.5475440 0.4049120), wk = 0.0027701 k( 335) = ( 0.5447473 0.5447473 0.4105054), wk = 0.0027701 k( 336) = ( 0.5419506 0.5419506 0.4160988), wk = 0.0027701 k( 337) = ( 0.5391539 0.5391539 0.4216923), wk = 0.0027701 k( 338) = ( 0.5363572 0.5363572 0.4272857), wk = 0.0027701 k( 339) = ( 0.5335605 0.5335605 0.4328791), wk = 0.0027701 k( 340) = ( 0.5307638 0.5307638 0.4384725), wk = 0.0027701 k( 341) = ( 0.5279670 0.5279670 0.4440659), wk = 0.0027701 k( 342) = ( 0.5251704 0.5251703 0.4496593), wk = 0.0027701 k( 343) = ( 0.5223736 0.5223736 0.4552527), wk = 0.0027701 k( 344) = ( 0.5195769 0.5195769 0.4608461), wk = 0.0027701 k( 345) = ( 0.5167802 0.5167802 0.4664395), wk = 0.0027701 k( 346) = ( 0.5139835 0.5139835 0.4720330), wk = 0.0027701 k( 347) = ( 0.5111868 0.5111868 0.4776264), wk = 0.0027701 k( 348) = ( 0.5083901 0.5083901 0.4832198), wk = 0.0027701 k( 349) = ( 0.5055934 0.5055934 0.4888132), wk = 0.0027701 k( 350) = ( 0.5027967 0.5027967 0.4944066), wk = 0.0027701 k( 351) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027701 k( 352) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027701 k( 353) = ( 0.5366679 0.0372216 0.0372216), wk = 0.0027701 k( 354) = ( 0.5733358 0.0744432 0.0744432), wk = 0.0027701 k( 355) = ( 0.6100037 0.1116648 0.1116648), wk = 0.0027701 k( 356) = ( 0.6466717 0.1488864 0.1488864), wk = 0.0027701 k( 357) = ( 0.6833396 0.1861080 0.1861080), wk = 0.0027701 k( 358) = ( 0.7200075 0.2233296 0.2233296), wk = 0.0027701 k( 359) = ( 0.7566754 0.2605512 0.2605512), wk = 0.0027701 k( 360) = ( 0.7933433 0.2977728 0.2977728), wk = 0.0027701 k( 361) = ( 0.8300112 0.3349944 0.3349944), wk = 0.0027701 Dense grid: 69215 G-vectors FFT dimensions: ( 144, 144, 144) Smooth grid: 27461 G-vectors FFT dimensions: ( 108, 108, 108) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 230, 48) NL pseudopotentials 0.25 Mb ( 115, 140) Each V/rho on FFT grid 1.58 Mb ( 103680) Each G-vector array 0.02 Mb ( 2163) G-vector shells 0.01 Mb ( 1807) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.67 Mb ( 230, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.21 Mb ( 140, 2, 48) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./SiC.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 9.2 secs Computing kpt #: 2 total cpu time spent up to now is 14.6 secs Computing kpt #: 3 total cpu time spent up to now is 20.8 secs Computing kpt #: 4 total cpu time spent up to now is 27.0 secs Computing kpt #: 5 total cpu time spent up to now is 33.3 secs Computing kpt #: 6 total cpu time spent up to now is 39.6 secs Computing kpt #: 7 total cpu time spent up to now is 46.1 secs Computing kpt #: 8 total cpu time spent up to now is 52.7 secs Computing kpt #: 9 total cpu time spent up to now is 60.3 secs Computing kpt #: 10 total cpu time spent up to now is 67.1 secs Computing kpt #: 11 total cpu time spent up to now is 73.8 secs Computing kpt #: 12 total cpu time spent up to now is 80.3 secs Computing kpt #: 13 total cpu time spent up to now is 87.3 secs Computing kpt #: 14 total cpu time spent up to now is 93.8 secs Computing kpt #: 15 total cpu time spent up to now is 100.3 secs Computing kpt #: 16 total cpu time spent up to now is 106.7 secs Computing kpt #: 17 total cpu time spent up to now is 112.9 secs Computing kpt #: 18 total cpu time spent up to now is 119.2 secs Computing kpt #: 19 total cpu time spent up to now is 124.7 secs Computing kpt #: 20 total cpu time spent up to now is 130.3 secs Computing kpt #: 21 total cpu time spent up to now is 135.7 secs Computing kpt #: 22 total cpu time spent up to now is 141.2 secs Computing kpt #: 23 total cpu time spent up to now is 146.5 secs Computing kpt #: 24 total cpu time spent up to now is 151.8 secs Computing kpt #: 25 total cpu time spent up to now is 157.1 secs Computing kpt #: 26 total cpu time spent up to now is 162.3 secs Computing kpt #: 27 total cpu time spent up to now is 167.5 secs Computing kpt #: 28 total cpu time spent up to now is 172.7 secs Computing kpt #: 29 total cpu time spent up to now is 177.7 secs Computing kpt #: 30 total cpu time spent up to now is 182.8 secs Computing kpt #: 31 total cpu time spent up to now is 187.9 secs Computing kpt #: 32 total cpu time spent up to now is 192.9 secs Computing kpt #: 33 total cpu time spent up to now is 197.9 secs Computing kpt #: 34 total cpu time spent up to now is 203.0 secs Computing kpt #: 35 total cpu time spent up to now is 208.0 secs Computing kpt #: 36 total cpu time spent up to now is 213.1 secs Computing kpt #: 37 total cpu time spent up to now is 218.1 secs Computing kpt #: 38 total cpu time spent up to now is 223.2 secs Computing kpt #: 39 total cpu time spent up to now is 228.2 secs Computing kpt #: 40 total cpu time spent up to now is 233.3 secs Computing kpt #: 41 total cpu time spent up to now is 238.3 secs Computing kpt #: 42 total cpu time spent up to now is 243.3 secs Computing kpt #: 43 total cpu time spent up to now is 248.4 secs Computing kpt #: 44 total cpu time spent up to now is 255.7 secs Computing kpt #: 45 total cpu time spent up to now is 261.2 secs Computing kpt #: 46 total cpu time spent up to now is 266.3 secs Computing kpt #: 47 total cpu time spent up to now is 271.3 secs Computing kpt #: 48 total cpu time spent up to now is 276.3 secs Computing kpt #: 49 total cpu time spent up to now is 281.4 secs Computing kpt #: 50 total cpu time spent up to now is 286.5 secs Computing kpt #: 51 total cpu time spent up to now is 291.5 secs Computing kpt #: 52 total cpu time spent up to now is 296.5 secs Computing kpt #: 53 total cpu time spent up to now is 301.6 secs Computing kpt #: 54 total cpu time spent up to now is 306.5 secs Computing kpt #: 55 total cpu time spent up to now is 311.5 secs Computing kpt #: 56 total cpu time spent up to now is 316.5 secs Computing kpt #: 57 total cpu time spent up to now is 321.5 secs Computing kpt #: 58 total cpu time spent up to now is 326.5 secs Computing kpt #: 59 total cpu time spent up to now is 331.4 secs Computing kpt #: 60 total cpu time spent up to now is 336.3 secs Computing kpt #: 61 total cpu time spent up to now is 341.3 secs Computing kpt #: 62 total cpu time spent up to now is 346.2 secs Computing kpt #: 63 total cpu time spent up to now is 351.2 secs Computing kpt #: 64 total cpu time spent up to now is 356.1 secs Computing kpt #: 65 total cpu time spent up to now is 361.1 secs Computing kpt #: 66 total cpu time spent up to now is 366.0 secs Computing kpt #: 67 total cpu time spent up to now is 371.0 secs Computing kpt #: 68 total cpu time spent up to now is 376.0 secs Computing kpt #: 69 total cpu time spent up to now is 381.0 secs Computing kpt #: 70 total cpu time spent up to now is 386.0 secs Computing kpt #: 71 total cpu time spent up to now is 391.0 secs Computing kpt #: 72 total cpu time spent up to now is 396.1 secs Computing kpt #: 73 total cpu time spent up to now is 401.1 secs Computing kpt #: 74 total cpu time spent up to now is 406.1 secs Computing kpt #: 75 total cpu time spent up to now is 411.1 secs Computing kpt #: 76 total cpu time spent up to now is 416.1 secs Computing kpt #: 77 total cpu time spent up to now is 421.1 secs Computing kpt #: 78 total cpu time spent up to now is 426.1 secs Computing kpt #: 79 total cpu time spent up to now is 431.1 secs Computing kpt #: 80 total cpu time spent up to now is 436.1 secs Computing kpt #: 81 total cpu time spent up to now is 441.2 secs Computing kpt #: 82 total cpu time spent up to now is 446.3 secs Computing kpt #: 83 total cpu time spent up to now is 451.6 secs Computing kpt #: 84 total cpu time spent up to now is 456.6 secs Computing kpt #: 85 total cpu time spent up to now is 461.7 secs Computing kpt #: 86 total cpu time spent up to now is 466.6 secs Computing kpt #: 87 total cpu time spent up to now is 471.6 secs Computing kpt #: 88 total cpu time spent up to now is 476.5 secs Computing kpt #: 89 total cpu time spent up to now is 481.5 secs Computing kpt #: 90 total cpu time spent up to now is 486.5 secs Computing kpt #: 91 total cpu time spent up to now is 491.4 secs Computing kpt #: 92 total cpu time spent up to now is 496.3 secs Computing kpt #: 93 total cpu time spent up to now is 501.2 secs Computing kpt #: 94 total cpu time spent up to now is 506.1 secs Computing kpt #: 95 total cpu time spent up to now is 511.1 secs Computing kpt #: 96 total cpu time spent up to now is 516.0 secs Computing kpt #: 97 total cpu time spent up to now is 520.9 secs Computing kpt #: 98 total cpu time spent up to now is 525.8 secs Computing kpt #: 99 total cpu time spent up to now is 530.8 secs Computing kpt #: 100 total cpu time spent up to now is 535.7 secs Computing kpt #: 101 total cpu time spent up to now is 540.7 secs Computing kpt #: 102 total cpu time spent up to now is 545.6 secs Computing kpt #: 103 total cpu time spent up to now is 550.6 secs Computing kpt #: 104 total cpu time spent up to now is 557.9 secs Computing kpt #: 105 total cpu time spent up to now is 562.9 secs Computing kpt #: 106 total cpu time spent up to now is 568.0 secs Computing kpt #: 107 total cpu time spent up to now is 573.1 secs Computing kpt #: 108 total cpu time spent up to now is 579.1 secs Computing kpt #: 109 total cpu time spent up to now is 585.0 secs Computing kpt #: 110 total cpu time spent up to now is 591.1 secs Computing kpt #: 111 total cpu time spent up to now is 598.0 secs Computing kpt #: 112 total cpu time spent up to now is 604.9 secs Computing kpt #: 113 total cpu time spent up to now is 611.7 secs Computing kpt #: 114 total cpu time spent up to now is 618.6 secs Computing kpt #: 115 total cpu time spent up to now is 625.4 secs Computing kpt #: 116 total cpu time spent up to now is 631.5 secs Computing kpt #: 117 total cpu time spent up to now is 637.4 secs Computing kpt #: 118 total cpu time spent up to now is 643.4 secs Computing kpt #: 119 total cpu time spent up to now is 649.4 secs Computing kpt #: 120 total cpu time spent up to now is 655.3 secs Computing kpt #: 121 total cpu time spent up to now is 661.3 secs Computing kpt #: 122 total cpu time spent up to now is 666.6 secs Computing kpt #: 123 total cpu time spent up to now is 671.9 secs Computing kpt #: 124 total cpu time spent up to now is 677.1 secs Computing kpt #: 125 total cpu time spent up to now is 682.5 secs Computing kpt #: 126 total cpu time spent up to now is 687.9 secs Computing kpt #: 127 total cpu time spent up to now is 693.3 secs Computing kpt #: 128 total cpu time spent up to now is 698.7 secs Computing kpt #: 129 total cpu time spent up to now is 704.1 secs Computing kpt #: 130 total cpu time spent up to now is 709.5 secs Computing kpt #: 131 total cpu time spent up to now is 715.0 secs Computing kpt #: 132 total cpu time spent up to now is 720.5 secs Computing kpt #: 133 total cpu time spent up to now is 726.0 secs Computing kpt #: 134 total cpu time spent up to now is 731.6 secs Computing kpt #: 135 total cpu time spent up to now is 737.0 secs Computing kpt #: 136 total cpu time spent up to now is 742.7 secs Computing kpt #: 137 total cpu time spent up to now is 748.4 secs Computing kpt #: 138 total cpu time spent up to now is 754.1 secs Computing kpt #: 139 total cpu time spent up to now is 759.9 secs Computing kpt #: 140 total cpu time spent up to now is 765.6 secs Computing kpt #: 141 total cpu time spent up to now is 771.4 secs Computing kpt #: 142 total cpu time spent up to now is 777.7 secs Computing kpt #: 143 total cpu time spent up to now is 784.2 secs Computing kpt #: 144 total cpu time spent up to now is 790.7 secs Computing kpt #: 145 total cpu time spent up to now is 797.0 secs Computing kpt #: 146 total cpu time spent up to now is 803.4 secs Computing kpt #: 147 total cpu time spent up to now is 809.7 secs Computing kpt #: 148 total cpu time spent up to now is 815.5 secs Computing kpt #: 149 total cpu time spent up to now is 822.2 secs Computing kpt #: 150 total cpu time spent up to now is 828.1 secs Computing kpt #: 151 total cpu time spent up to now is 833.9 secs Computing kpt #: 152 total cpu time spent up to now is 840.4 secs Computing kpt #: 153 total cpu time spent up to now is 846.8 secs Computing kpt #: 154 total cpu time spent up to now is 856.0 secs Computing kpt #: 155 total cpu time spent up to now is 863.4 secs Computing kpt #: 156 total cpu time spent up to now is 870.0 secs Computing kpt #: 157 total cpu time spent up to now is 878.2 secs Computing kpt #: 158 total cpu time spent up to now is 886.5 secs Computing kpt #: 159 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 895.9 secs Computing kpt #: 160 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 905.2 secs Computing kpt #: 161 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 914.5 secs Computing kpt #: 162 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 923.7 secs Computing kpt #: 163 total cpu time spent up to now is 931.8 secs Computing kpt #: 164 total cpu time spent up to now is 939.1 secs Computing kpt #: 165 total cpu time spent up to now is 946.2 secs Computing kpt #: 166 total cpu time spent up to now is 953.1 secs Computing kpt #: 167 total cpu time spent up to now is 960.1 secs Computing kpt #: 168 total cpu time spent up to now is 967.1 secs Computing kpt #: 169 total cpu time spent up to now is 974.1 secs Computing kpt #: 170 total cpu time spent up to now is 980.9 secs Computing kpt #: 171 total cpu time spent up to now is 987.2 secs Computing kpt #: 172 total cpu time spent up to now is 993.3 secs Computing kpt #: 173 total cpu time spent up to now is 999.4 secs Computing kpt #: 174 total cpu time spent up to now is 1005.4 secs Computing kpt #: 175 total cpu time spent up to now is 1011.6 secs Computing kpt #: 176 total cpu time spent up to now is 1017.7 secs Computing kpt #: 177 total cpu time spent up to now is 1023.9 secs Computing kpt #: 178 total cpu time spent up to now is 1030.0 secs Computing kpt #: 179 total cpu time spent up to now is 1036.0 secs Computing kpt #: 180 total cpu time spent up to now is 1041.5 secs Computing kpt #: 181 total cpu time spent up to now is 1046.9 secs Computing kpt #: 182 total cpu time spent up to now is 1053.0 secs Computing kpt #: 183 total cpu time spent up to now is 1058.6 secs Computing kpt #: 184 total cpu time spent up to now is 1064.2 secs Computing kpt #: 185 total cpu time spent up to now is 1069.9 secs Computing kpt #: 186 total cpu time spent up to now is 1076.2 secs Computing kpt #: 187 total cpu time spent up to now is 1082.7 secs Computing kpt #: 188 total cpu time spent up to now is 1089.3 secs Computing kpt #: 189 total cpu time spent up to now is 1097.7 secs Computing kpt #: 190 total cpu time spent up to now is 1105.2 secs Computing kpt #: 191 total cpu time spent up to now is 1111.8 secs Computing kpt #: 192 total cpu time spent up to now is 1118.3 secs Computing kpt #: 193 total cpu time spent up to now is 1124.9 secs Computing kpt #: 194 total cpu time spent up to now is 1131.3 secs Computing kpt #: 195 total cpu time spent up to now is 1137.7 secs Computing kpt #: 196 total cpu time spent up to now is 1143.5 secs Computing kpt #: 197 total cpu time spent up to now is 1149.3 secs Computing kpt #: 198 total cpu time spent up to now is 1157.0 secs Computing kpt #: 199 total cpu time spent up to now is 1163.3 secs Computing kpt #: 200 total cpu time spent up to now is 1169.0 secs Computing kpt #: 201 total cpu time spent up to now is 1174.7 secs Computing kpt #: 202 total cpu time spent up to now is 1180.3 secs Computing kpt #: 203 total cpu time spent up to now is 1185.9 secs Computing kpt #: 204 total cpu time spent up to now is 1191.4 secs Computing kpt #: 205 total cpu time spent up to now is 1196.9 secs Computing kpt #: 206 total cpu time spent up to now is 1202.3 secs Computing kpt #: 207 total cpu time spent up to now is 1207.7 secs Computing kpt #: 208 total cpu time spent up to now is 1213.0 secs Computing kpt #: 209 total cpu time spent up to now is 1218.3 secs Computing kpt #: 210 total cpu time spent up to now is 1223.6 secs Computing kpt #: 211 total cpu time spent up to now is 1228.8 secs Computing kpt #: 212 total cpu time spent up to now is 1234.0 secs Computing kpt #: 213 total cpu time spent up to now is 1239.2 secs Computing kpt #: 214 total cpu time spent up to now is 1244.4 secs Computing kpt #: 215 total cpu time spent up to now is 1249.6 secs Computing kpt #: 216 total cpu time spent up to now is 1254.8 secs Computing kpt #: 217 total cpu time spent up to now is 1259.9 secs Computing kpt #: 218 total cpu time spent up to now is 1265.0 secs Computing kpt #: 219 total cpu time spent up to now is 1270.0 secs Computing kpt #: 220 total cpu time spent up to now is 1275.1 secs Computing kpt #: 221 total cpu time spent up to now is 1280.2 secs Computing kpt #: 222 total cpu time spent up to now is 1285.1 secs Computing kpt #: 223 total cpu time spent up to now is 1290.1 secs Computing kpt #: 224 total cpu time spent up to now is 1294.5 secs Computing kpt #: 225 total cpu time spent up to now is 1298.9 secs Computing kpt #: 226 total cpu time spent up to now is 1303.3 secs Computing kpt #: 227 total cpu time spent up to now is 1308.2 secs Computing kpt #: 228 total cpu time spent up to now is 1312.5 secs Computing kpt #: 229 total cpu time spent up to now is 1317.4 secs Computing kpt #: 230 total cpu time spent up to now is 1322.4 secs Computing kpt #: 231 total cpu time spent up to now is 1327.3 secs Computing kpt #: 232 total cpu time spent up to now is 1332.2 secs Computing kpt #: 233 total cpu time spent up to now is 1337.1 secs Computing kpt #: 234 total cpu time spent up to now is 1342.0 secs Computing kpt #: 235 total cpu time spent up to now is 1347.0 secs Computing kpt #: 236 total cpu time spent up to now is 1351.9 secs Computing kpt #: 237 total cpu time spent up to now is 1356.8 secs Computing kpt #: 238 total cpu time spent up to now is 1361.8 secs Computing kpt #: 239 total cpu time spent up to now is 1366.7 secs Computing kpt #: 240 total cpu time spent up to now is 1371.7 secs Computing kpt #: 241 total cpu time spent up to now is 1376.6 secs Computing kpt #: 242 total cpu time spent up to now is 1381.7 secs Computing kpt #: 243 total cpu time spent up to now is 1386.7 secs Computing kpt #: 244 total cpu time spent up to now is 1391.7 secs Computing kpt #: 245 total cpu time spent up to now is 1396.7 secs Computing kpt #: 246 total cpu time spent up to now is 1401.6 secs Computing kpt #: 247 total cpu time spent up to now is 1406.6 secs Computing kpt #: 248 total cpu time spent up to now is 1411.5 secs Computing kpt #: 249 total cpu time spent up to now is 1416.5 secs Computing kpt #: 250 total cpu time spent up to now is 1421.5 secs Computing kpt #: 251 total cpu time spent up to now is 1426.5 secs Computing kpt #: 252 total cpu time spent up to now is 1431.4 secs Computing kpt #: 253 total cpu time spent up to now is 1436.5 secs Computing kpt #: 254 total cpu time spent up to now is 1441.5 secs Computing kpt #: 255 total cpu time spent up to now is 1446.5 secs Computing kpt #: 256 total cpu time spent up to now is 1451.7 secs Computing kpt #: 257 total cpu time spent up to now is 1459.5 secs Computing kpt #: 258 total cpu time spent up to now is 1464.7 secs Computing kpt #: 259 total cpu time spent up to now is 1470.5 secs Computing kpt #: 260 total cpu time spent up to now is 1475.7 secs Computing kpt #: 261 total cpu time spent up to now is 1481.5 secs Computing kpt #: 262 total cpu time spent up to now is 1486.7 secs Computing kpt #: 263 total cpu time spent up to now is 1491.9 secs Computing kpt #: 264 total cpu time spent up to now is 1497.0 secs Computing kpt #: 265 total cpu time spent up to now is 1502.2 secs Computing kpt #: 266 total cpu time spent up to now is 1507.2 secs Computing kpt #: 267 total cpu time spent up to now is 1512.3 secs Computing kpt #: 268 total cpu time spent up to now is 1517.3 secs Computing kpt #: 269 total cpu time spent up to now is 1522.3 secs Computing kpt #: 270 total cpu time spent up to now is 1527.4 secs Computing kpt #: 271 total cpu time spent up to now is 1532.4 secs Computing kpt #: 272 total cpu time spent up to now is 1537.4 secs Computing kpt #: 273 total cpu time spent up to now is 1542.5 secs Computing kpt #: 274 total cpu time spent up to now is 1547.5 secs Computing kpt #: 275 total cpu time spent up to now is 1552.5 secs Computing kpt #: 276 total cpu time spent up to now is 1557.5 secs Computing kpt #: 277 total cpu time spent up to now is 1562.5 secs Computing kpt #: 278 total cpu time spent up to now is 1567.6 secs Computing kpt #: 279 total cpu time spent up to now is 1572.9 secs Computing kpt #: 280 total cpu time spent up to now is 1578.7 secs Computing kpt #: 281 total cpu time spent up to now is 1583.8 secs Computing kpt #: 282 total cpu time spent up to now is 1589.0 secs Computing kpt #: 283 total cpu time spent up to now is 1594.1 secs Computing kpt #: 284 total cpu time spent up to now is 1599.3 secs Computing kpt #: 285 total cpu time spent up to now is 1604.4 secs Computing kpt #: 286 total cpu time spent up to now is 1609.6 secs Computing kpt #: 287 total cpu time spent up to now is 1614.7 secs Computing kpt #: 288 total cpu time spent up to now is 1619.7 secs Computing kpt #: 289 total cpu time spent up to now is 1624.7 secs Computing kpt #: 290 total cpu time spent up to now is 1629.7 secs Computing kpt #: 291 total cpu time spent up to now is 1634.7 secs Computing kpt #: 292 total cpu time spent up to now is 1639.7 secs Computing kpt #: 293 total cpu time spent up to now is 1644.6 secs Computing kpt #: 294 total cpu time spent up to now is 1649.6 secs Computing kpt #: 295 total cpu time spent up to now is 1654.6 secs Computing kpt #: 296 total cpu time spent up to now is 1659.6 secs Computing kpt #: 297 total cpu time spent up to now is 1664.6 secs Computing kpt #: 298 total cpu time spent up to now is 1669.6 secs Computing kpt #: 299 total cpu time spent up to now is 1674.6 secs Computing kpt #: 300 total cpu time spent up to now is 1679.6 secs Computing kpt #: 301 total cpu time spent up to now is 1684.6 secs Computing kpt #: 302 total cpu time spent up to now is 1689.7 secs Computing kpt #: 303 total cpu time spent up to now is 1694.7 secs Computing kpt #: 304 total cpu time spent up to now is 1699.7 secs Computing kpt #: 305 total cpu time spent up to now is 1704.8 secs Computing kpt #: 306 total cpu time spent up to now is 1709.9 secs Computing kpt #: 307 total cpu time spent up to now is 1714.9 secs Computing kpt #: 308 total cpu time spent up to now is 1720.0 secs Computing kpt #: 309 total cpu time spent up to now is 1725.1 secs Computing kpt #: 310 total cpu time spent up to now is 1730.2 secs Computing kpt #: 311 total cpu time spent up to now is 1735.2 secs Computing kpt #: 312 total cpu time spent up to now is 1740.5 secs Computing kpt #: 313 total cpu time spent up to now is 1745.6 secs Computing kpt #: 314 total cpu time spent up to now is 1750.8 secs Computing kpt #: 315 total cpu time spent up to now is 1758.8 secs Computing kpt #: 316 total cpu time spent up to now is 1764.0 secs Computing kpt #: 317 total cpu time spent up to now is 1769.2 secs Computing kpt #: 318 total cpu time spent up to now is 1774.4 secs Computing kpt #: 319 total cpu time spent up to now is 1779.7 secs Computing kpt #: 320 total cpu time spent up to now is 1784.9 secs Computing kpt #: 321 total cpu time spent up to now is 1790.2 secs Computing kpt #: 322 total cpu time spent up to now is 1795.4 secs Computing kpt #: 323 total cpu time spent up to now is 1800.7 secs Computing kpt #: 324 total cpu time spent up to now is 1805.9 secs Computing kpt #: 325 total cpu time spent up to now is 1811.2 secs Computing kpt #: 326 total cpu time spent up to now is 1816.4 secs Computing kpt #: 327 total cpu time spent up to now is 1821.7 secs Computing kpt #: 328 total cpu time spent up to now is 1826.9 secs Computing kpt #: 329 total cpu time spent up to now is 1832.1 secs Computing kpt #: 330 total cpu time spent up to now is 1837.4 secs Computing kpt #: 331 total cpu time spent up to now is 1842.7 secs Computing kpt #: 332 total cpu time spent up to now is 1848.0 secs Computing kpt #: 333 total cpu time spent up to now is 1853.3 secs Computing kpt #: 334 total cpu time spent up to now is 1858.8 secs Computing kpt #: 335 total cpu time spent up to now is 1864.3 secs Computing kpt #: 336 total cpu time spent up to now is 1870.5 secs Computing kpt #: 337 total cpu time spent up to now is 1876.7 secs Computing kpt #: 338 total cpu time spent up to now is 1883.1 secs Computing kpt #: 339 total cpu time spent up to now is 1889.6 secs Computing kpt #: 340 total cpu time spent up to now is 1896.1 secs Computing kpt #: 341 total cpu time spent up to now is 1903.4 secs Computing kpt #: 342 total cpu time spent up to now is 1911.6 secs Computing kpt #: 343 total cpu time spent up to now is 1920.0 secs Computing kpt #: 344 total cpu time spent up to now is 1928.4 secs Computing kpt #: 345 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1937.7 secs Computing kpt #: 346 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1947.1 secs Computing kpt #: 347 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1956.3 secs Computing kpt #: 348 total cpu time spent up to now is 1964.4 secs Computing kpt #: 349 total cpu time spent up to now is 1971.4 secs Computing kpt #: 350 total cpu time spent up to now is 1978.5 secs Computing kpt #: 351 total cpu time spent up to now is 1985.5 secs Computing kpt #: 352 total cpu time spent up to now is 1990.4 secs Computing kpt #: 353 total cpu time spent up to now is 1995.3 secs Computing kpt #: 354 total cpu time spent up to now is 2000.3 secs Computing kpt #: 355 total cpu time spent up to now is 2005.2 secs Computing kpt #: 356 total cpu time spent up to now is 2010.1 secs Computing kpt #: 357 total cpu time spent up to now is 2015.0 secs Computing kpt #: 358 total cpu time spent up to now is 2020.0 secs Computing kpt #: 359 total cpu time spent up to now is 2024.9 secs Computing kpt #: 360 total cpu time spent up to now is 2029.9 secs Computing kpt #: 361 total cpu time spent up to now is 2034.9 secs ethr = 2.50E-11, avg # of iterations = 37.0 total cpu time spent up to now is 2034.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3393 PWs) bands (ev): -5.9206 -5.9206 -5.2015 -5.2015 -5.0727 -5.0727 -3.0734 -3.0734 -3.0322 -3.0322 1.9902 1.9902 2.0355 2.0355 6.3805 6.3805 6.4386 6.4386 8.4537 8.4537 8.4691 8.4691 8.5451 8.5451 8.5605 8.5605 9.1326 9.1326 9.1449 9.1449 9.1718 9.1718 9.1843 9.1843 9.5486 9.5486 9.6101 9.6101 9.6188 9.6188 14.8239 14.8239 14.9806 14.9806 15.8448 15.8448 15.9676 15.9676 k = 0.0083-0.0337-0.0196 ( 3398 PWs) bands (ev): -5.9193 -5.9193 -5.2005 -5.2005 -5.0713 -5.0713 -3.0733 -3.0732 -3.0302 -3.0301 1.9891 1.9891 2.0385 2.0385 6.3777 6.3780 6.4413 6.4416 8.4481 8.4484 8.4645 8.4645 8.5400 8.5404 8.5562 8.5562 9.1272 9.1277 9.1400 9.1401 9.1701 9.1706 9.1823 9.1824 9.5474 9.5479 9.6067 9.6073 9.6166 9.6167 14.8289 14.8291 14.9855 14.9857 15.8483 15.8489 15.9704 15.9706 k = 0.0167-0.0673-0.0392 ( 3396 PWs) bands (ev): -5.9157 -5.9157 -5.1973 -5.1973 -5.0673 -5.0673 -3.0727 -3.0725 -3.0243 -3.0241 1.9868 1.9868 2.0468 2.0469 6.3708 6.3713 6.4486 6.4490 8.4283 8.4291 8.4541 8.4543 8.5219 8.5227 8.5463 8.5465 9.1081 9.1092 9.1308 9.1308 9.1625 9.1636 9.1782 9.1784 9.5439 9.5451 9.5936 9.5950 9.6137 9.6138 14.8439 14.8443 15.0000 15.0004 15.8591 15.8602 15.9787 15.9792 k = 0.0250-0.1010-0.0589 ( 3385 PWs) bands (ev): -5.9096 -5.9096 -5.1920 -5.1920 -5.0606 -5.0606 -3.0712 -3.0709 -3.0150 -3.0147 1.9845 1.9847 2.0590 2.0591 6.3616 6.3623 6.4584 6.4590 8.3923 8.3934 8.4408 8.4409 8.4888 8.4899 8.5337 8.5338 9.0751 9.0766 9.1194 9.1195 9.1451 9.1465 9.1740 9.1742 9.5368 9.5400 9.5703 9.5737 9.6110 9.6112 14.8684 14.8690 15.0237 15.0242 15.8762 15.8780 15.9921 15.9930 k = 0.0333-0.1346-0.0785 ( 3382 PWs) bands (ev): -5.9010 -5.9010 -5.1846 -5.1846 -5.0513 -5.0512 -3.0682 -3.0679 -3.0028 -3.0024 1.9834 1.9835 2.0742 2.0743 6.3512 6.3522 6.4694 6.4704 8.3414 8.3428 8.4236 8.4237 8.4419 8.4433 8.5174 8.5176 9.0305 9.0325 9.1044 9.1051 9.1184 9.1198 9.1687 9.1688 9.5199 9.5267 9.5437 9.5508 9.6078 9.6079 14.9014 14.9021 15.0554 15.0560 15.8980 15.9003 16.0101 16.0113 k = 0.0417-0.1683-0.0981 ( 3389 PWs) bands (ev): -5.8901 -5.8901 -5.1751 -5.1750 -5.0393 -5.0393 -3.0636 -3.0632 -2.9879 -2.9874 1.9836 1.9838 2.0918 2.0920 6.3402 6.3414 6.4811 6.4823 8.2770 8.2787 8.3823 8.3841 8.4024 8.4025 8.4973 8.4974 8.9754 8.9778 9.0772 9.0800 9.0913 9.0917 9.1614 9.1615 9.4836 9.4885 9.5311 9.5364 9.6035 9.6036 14.9414 14.9424 15.0937 15.0943 15.9217 15.9244 16.0315 16.0330 k = 0.0500-0.2019-0.1177 ( 3397 PWs) bands (ev): -5.8767 -5.8767 -5.1634 -5.1633 -5.0247 -5.0246 -3.0571 -3.0566 -2.9705 -2.9699 1.9856 1.9858 2.1117 2.1119 6.3287 6.3301 6.4928 6.4943 8.2002 8.2022 8.3112 8.3132 8.3771 8.3772 8.4734 8.4735 8.9105 8.9133 9.0322 9.0354 9.0707 9.0710 9.1518 9.1519 9.4334 9.4371 9.5215 9.5255 9.5982 9.5983 14.9867 14.9877 15.1363 15.1369 15.9432 15.9462 16.0542 16.0562 k = 0.0583-0.2356-0.1374 ( 3392 PWs) bands (ev): -5.8609 -5.8609 -5.1496 -5.1495 -5.0075 -5.0074 -3.0487 -3.0480 -2.9508 -2.9501 1.9894 1.9897 2.1337 2.1340 6.3167 6.3183 6.5044 6.5061 8.1120 8.1143 8.2294 8.2317 8.3480 8.3481 8.4458 8.4459 8.8364 8.8396 8.9777 8.9812 9.0485 9.0487 9.1398 9.1398 9.3735 9.3767 9.5109 9.5145 9.5917 9.5918 15.0344 15.0354 15.1805 15.1810 15.9572 15.9605 16.0717 16.0750 k = 0.0667-0.2692-0.1570 ( 3404 PWs) bands (ev): -5.8426 -5.8426 -5.1336 -5.1334 -4.9877 -4.9876 -3.0382 -3.0375 -2.9288 -2.9280 1.9950 1.9953 2.1577 2.1580 6.3041 6.3060 6.5153 6.5172 8.0135 8.0160 8.1379 8.1405 8.3154 8.3155 8.4148 8.4148 8.7539 8.7575 8.9150 8.9189 9.0241 9.0242 9.1252 9.1253 9.3053 9.3083 9.4990 9.5024 9.5838 9.5839 15.0808 15.0817 15.2222 15.2225 15.9583 15.9616 16.0671 16.0738 k = 0.0750-0.3029-0.1766 ( 3410 PWs) bands (ev): -5.8219 -5.8219 -5.1154 -5.1152 -4.9654 -4.9652 -3.0256 -3.0248 -2.9046 -2.9037 2.0025 2.0029 2.1836 2.1839 6.2907 6.2929 6.5252 6.5274 7.9059 7.9086 8.0378 8.0407 8.2796 8.2796 8.3805 8.3806 8.6637 8.6677 8.8451 8.8494 8.9974 8.9975 9.1081 9.1082 9.2295 9.2325 9.4857 9.4890 9.5745 9.5746 15.1211 15.1218 15.2563 15.2565 15.9437 15.9462 16.0462 16.0542 k = 0.0833-0.3365-0.1962 ( 3407 PWs) bands (ev): -5.7988 -5.7988 -5.0950 -5.0948 -4.9405 -4.9403 -3.0110 -3.0101 -2.8782 -2.8772 2.0119 2.0124 2.2114 2.2117 6.2762 6.2786 6.5336 6.5361 7.7901 7.7931 7.9301 7.9332 8.2408 8.2409 8.3434 8.3434 8.5666 8.5710 8.7688 8.7734 8.9686 8.9686 9.0886 9.0886 9.1469 9.1499 9.4709 9.4742 9.5637 9.5638 15.1489 15.1492 15.2768 15.2775 15.9174 15.9185 16.0270 16.0339 k = 0.0917-0.3702-0.2159 ( 3403 PWs) bands (ev): -5.7733 -5.7733 -5.0724 -5.0722 -4.9131 -4.9129 -2.9942 -2.9932 -2.8497 -2.8486 2.0233 2.0237 2.2409 2.2412 6.2601 6.2628 6.5399 6.5428 7.6674 7.6705 7.8158 7.8193 8.1995 8.1995 8.3036 8.3036 8.4637 8.4684 8.6869 8.6919 8.9378 8.9378 9.0576 9.0608 9.0669 9.0670 9.4545 9.4579 9.5513 9.5514 15.1573 15.1577 15.2782 15.2796 15.8873 15.8876 16.0133 16.0187 k = 0.1000-0.4039-0.2355 ( 3404 PWs) bands (ev): -5.7454 -5.7454 -5.0476 -5.0474 -4.8832 -4.8830 -2.9754 -2.9743 -2.8190 -2.8178 2.0364 2.0369 2.2722 2.2725 6.2419 6.2450 6.5434 6.5467 7.5387 7.5421 7.6963 7.7000 8.1558 8.1558 8.2614 8.2614 8.3558 8.3608 8.6004 8.6057 8.9050 8.9051 8.9635 8.9666 9.0423 9.0424 9.4366 9.4400 9.5373 9.5374 15.1414 15.1424 15.2572 15.2592 15.8561 15.8575 16.0063 16.0105 k = 0.1083-0.4375-0.2551 ( 3404 PWs) bands (ev): -5.7151 -5.7151 -5.0205 -5.0204 -4.8508 -4.8506 -2.9544 -2.9533 -2.7863 -2.7850 2.0515 2.0520 2.3051 2.3053 6.2210 6.2243 6.5431 6.5467 7.4053 7.4088 7.5726 7.5765 8.1101 8.1102 8.2170 8.2171 8.2441 8.2493 8.5101 8.5157 8.8621 8.8663 8.8717 8.8725 9.0158 9.0158 9.4171 9.4206 9.5216 9.5217 15.1009 15.1025 15.2142 15.2168 15.8206 15.8227 16.0063 16.0101 k = 0.1167-0.4712-0.2747 ( 3402 PWs) bands (ev): -5.6824 -5.6824 -4.9913 -4.9911 -4.8160 -4.8158 -2.9314 -2.9301 -2.7516 -2.7502 2.0683 2.0689 2.3395 2.3398 6.1963 6.2000 6.5377 6.5415 7.2681 7.2718 7.4463 7.4505 8.0627 8.0627 8.1292 8.1350 8.1709 8.1710 8.4170 8.4230 8.7596 8.7634 8.8351 8.8353 8.9871 8.9871 9.3960 9.3996 9.5044 9.5045 15.0391 15.0412 15.1525 15.1554 15.7754 15.7778 16.0091 16.0135 k = 0.1250-0.5048-0.2943 ( 3404 PWs) bands (ev): -5.6473 -5.6473 -4.9598 -4.9596 -4.7788 -4.7786 -2.9063 -2.9049 -2.7149 -2.7133 2.0870 2.0876 2.3754 2.3757 6.1668 6.1707 6.5252 6.5293 7.1285 7.1323 7.3193 7.3236 8.0107 8.0134 8.0160 8.0194 8.1230 8.1231 8.3224 8.3286 8.6522 8.6561 8.7978 8.7980 8.9564 8.9565 9.3732 9.3769 9.4856 9.4857 14.9613 14.9637 15.0762 15.0792 15.7188 15.7211 16.0053 16.0111 k = 0.1333-0.5385-0.3140 ( 3398 PWs) bands (ev): -5.6099 -5.6099 -4.9261 -4.9259 -4.7392 -4.7389 -2.8790 -2.8776 -2.6761 -2.6745 2.1073 2.1080 2.4127 2.4129 6.1309 6.1351 6.5031 6.5075 6.9876 6.9915 7.1938 7.1983 7.8960 7.9024 7.9638 7.9639 8.0738 8.0739 8.2271 8.2336 8.5419 8.5459 8.7594 8.7595 8.9239 8.9239 9.3488 9.3526 9.4652 9.4653 14.8721 14.8746 14.9890 14.9922 15.6519 15.6540 15.9868 15.9941 k = 0.1417-0.5721-0.3336 ( 3399 PWs) bands (ev): -5.5701 -5.5701 -4.8901 -4.8899 -4.6972 -4.6969 -2.8498 -2.8483 -2.6355 -2.6337 2.1294 2.1300 2.4512 2.4514 6.0868 6.0912 6.4684 6.4727 6.8468 6.8507 7.0730 7.0774 7.7803 7.7869 7.9127 7.9127 8.0235 8.0235 8.1325 8.1391 8.4297 8.4339 8.7199 8.7200 8.8897 8.8897 9.3226 9.3266 9.4433 9.4434 14.7750 14.7777 14.8942 14.8973 15.5768 15.5787 15.9518 15.9604 k = 0.1500-0.6058-0.3532 ( 3395 PWs) bands (ev): -5.5279 -5.5279 -4.8520 -4.8517 -4.6529 -4.6526 -2.8185 -2.8169 -2.5929 -2.5910 2.1530 2.1537 2.4908 2.4909 6.0323 6.0367 6.4171 6.4211 6.7075 6.7112 6.9604 6.9645 7.6668 7.6737 7.8608 7.8608 7.9721 7.9721 8.0395 8.0462 8.3167 8.3212 8.6795 8.6796 8.8539 8.8540 9.2948 9.2989 9.4201 9.4202 14.6728 14.6755 14.7939 14.7970 15.4954 15.4971 15.9037 15.9131 k = 0.1583-0.6394-0.3728 ( 3393 PWs) bands (ev): -5.4834 -5.4834 -4.8116 -4.8113 -4.6063 -4.6059 -2.7852 -2.7836 -2.5485 -2.5465 2.1781 2.1789 2.5313 2.5314 5.9650 5.9692 6.3467 6.3500 6.5706 6.5740 6.8588 6.8622 7.5569 7.5639 7.8083 7.8083 7.9200 7.9201 7.9490 7.9556 8.2047 8.2095 8.6384 8.6384 8.8168 8.8169 9.2653 9.2695 9.3955 9.3956 14.5672 14.5698 14.6899 14.6930 15.4094 15.4109 15.8467 15.8566 k = 0.1667-0.6731-0.3925 ( 3401 PWs) bands (ev): -5.4366 -5.4366 -4.7690 -4.7687 -4.5573 -4.5570 -2.7499 -2.7482 -2.5022 -2.5001 2.2047 2.2054 2.5725 2.5726 5.8828 5.8866 6.2566 6.2590 6.4367 6.4398 6.7681 6.7706 7.4518 7.4588 7.7554 7.7554 7.8603 7.8664 7.8680 7.8684 8.0959 8.1011 8.5966 8.5967 8.7785 8.7785 9.2341 9.2384 9.3697 9.3699 14.4594 14.4619 14.5836 14.5866 15.3200 15.3212 15.7842 15.7944 k = 0.1750-0.7068-0.4121 ( 3406 PWs) bands (ev): -5.3875 -5.3875 -4.7242 -4.7239 -4.5061 -4.5058 -2.7127 -2.7109 -2.4542 -2.4520 2.2325 2.2333 2.6142 2.6143 5.7848 5.7880 6.1495 6.1509 6.3065 6.3091 6.6850 6.6866 7.3519 7.3588 7.7023 7.7024 7.7748 7.7811 7.8145 7.8146 7.9937 7.9992 8.5545 8.5545 8.7391 8.7392 9.2013 9.2056 9.3429 9.3430 14.3503 14.3527 14.4760 14.4789 15.2281 15.2292 15.7185 15.7289 k = 0.1833-0.7404-0.4317 ( 3408 PWs) bands (ev): -5.3361 -5.3361 -4.6772 -4.6769 -4.4527 -4.4523 -2.6735 -2.6716 -2.4045 -2.4021 2.2615 2.2623 2.6561 2.6562 5.6717 5.6740 6.0288 6.0292 6.1798 6.1819 6.6044 6.6054 7.2571 7.2638 7.6490 7.6493 7.6894 7.6952 7.7613 7.7613 7.9022 7.9081 8.5120 8.5120 8.6989 8.6989 9.1667 9.1711 9.3150 9.3151 14.2406 14.2428 14.3679 14.3707 15.1346 15.1356 15.6512 15.6616 k = 0.1917-0.7741-0.4513 ( 3408 PWs) bands (ev): -5.2824 -5.2824 -4.6280 -4.6278 -4.3970 -4.3966 -2.6324 -2.6305 -2.3531 -2.3506 2.2915 2.2923 2.6979 2.6981 5.5456 5.5471 5.8974 5.8979 6.0557 6.0572 6.5221 6.5227 7.1662 7.1724 7.5951 7.5963 7.6043 7.6087 7.7080 7.7080 7.8254 7.8314 8.4693 8.4694 8.6579 8.6579 9.1306 9.1350 9.2863 9.2864 14.1307 14.1327 14.2600 14.2628 15.0402 15.0412 15.5832 15.5936 k = 0.2000-0.8077-0.4710 ( 3406 PWs) bands (ev): -5.2265 -5.2264 -4.5767 -4.5764 -4.3392 -4.3388 -2.5895 -2.5875 -2.3002 -2.2976 2.3223 2.3230 2.7391 2.7395 5.4095 5.4102 5.7588 5.7600 5.9320 5.9331 6.4354 6.4360 7.0764 7.0821 7.5176 7.5234 7.5435 7.5439 7.6549 7.6549 7.7643 7.7703 8.4266 8.4267 8.6164 8.6164 9.0929 9.0974 9.2569 9.2570 14.0210 14.0229 14.1529 14.1556 14.9454 14.9463 15.5151 15.5254 k = 0.2083-0.8414-0.4906 ( 3407 PWs) bands (ev): -5.1683 -5.1682 -4.5232 -4.5230 -4.2793 -4.2788 -2.5448 -2.5427 -2.2457 -2.2430 2.3535 2.3543 2.7794 2.7798 5.2664 5.2665 5.6161 5.6179 5.8067 5.8076 6.3434 6.3441 6.9841 6.9893 7.4378 7.4434 7.4912 7.4913 7.6020 7.6020 7.7175 7.7231 8.3840 8.3841 8.5744 8.5744 9.0537 9.0582 9.2268 9.2269 13.9119 13.9135 14.0470 14.0496 14.8507 14.8516 15.4473 15.4575 k = 0.2167-0.8750-0.5102 ( 3409 PWs) bands (ev): -5.1079 -5.1078 -4.4677 -4.4674 -4.2172 -4.2168 -2.4983 -2.4962 -2.1898 -2.1870 2.3850 2.3857 2.8180 2.8186 5.1183 5.1188 5.4716 5.4738 5.6788 5.6797 6.2460 6.2470 6.8860 6.8907 7.3674 7.3730 7.4393 7.4394 7.5495 7.5495 7.6822 7.6873 8.3416 8.3417 8.5322 8.5322 9.0131 9.0176 9.1963 9.1964 13.8035 13.8049 13.9427 13.9452 14.7565 14.7573 15.3802 15.3901 k = 0.2250-0.9087-0.5298 ( 3408 PWs) bands (ev): -5.0453 -5.0452 -4.4100 -4.4097 -4.1531 -4.1526 -2.4502 -2.4479 -2.1326 -2.1296 2.4164 2.4170 2.8542 2.8550 4.9676 4.9686 5.3269 5.3295 5.5480 5.5490 6.1441 6.1455 6.7797 6.7840 7.3093 7.3148 7.3880 7.3882 7.4975 7.4975 7.6558 7.6603 8.2995 8.2996 8.4898 8.4898 8.9712 8.9757 9.1653 9.1654 13.6961 13.6974 13.8402 13.8427 14.6630 14.6639 15.3138 15.3235 k = 0.2333-0.9423-0.5495 ( 3409 PWs) bands (ev): -4.9806 -4.9805 -4.3502 -4.3500 -4.0869 -4.0864 -2.4004 -2.3980 -2.0742 -2.0711 2.4471 2.4477 2.8872 2.8882 4.8161 4.8175 5.1832 5.1861 5.4149 5.4161 6.0387 6.0405 6.6650 6.6690 7.2638 7.2689 7.3375 7.3376 7.4461 7.4461 7.6359 7.6397 8.2579 8.2579 8.4474 8.4475 8.9282 8.9327 9.1342 9.1343 13.5899 13.5911 13.7398 13.7423 14.5706 14.5715 15.2484 15.2579 k = 0.2417-0.9760-0.5691 ( 3408 PWs) bands (ev): -4.9137 -4.9136 -4.2884 -4.2882 -4.0188 -4.0183 -2.3490 -2.3466 -2.0147 -2.0114 2.4766 2.4771 2.9157 2.9169 4.6650 4.6667 5.0418 5.0450 5.2803 5.2818 5.9312 5.9335 6.5429 6.5468 7.2292 7.2340 7.2878 7.2880 7.3954 7.3954 7.6206 7.6239 8.2167 8.2167 8.4052 8.4053 8.8842 8.8886 9.1029 9.1030 13.4853 13.4862 13.6417 13.6441 14.4796 14.4804 15.1840 15.1932 k = 0.2500-1.0096-0.5887 ( 3409 PWs) bands (ev): -4.8447 -4.8446 -4.2246 -4.2244 -3.9487 -3.9482 -2.2962 -2.2937 -1.9542 -1.9508 2.5041 2.5046 2.9386 2.9400 4.5155 4.5173 4.9037 4.9071 5.1453 5.1473 5.8231 5.8259 6.4150 6.4189 7.2034 7.2079 7.2390 7.2393 7.3456 7.3456 7.6085 7.6112 8.1762 8.1762 8.3633 8.3633 8.8393 8.8436 9.0715 9.0716 13.3823 13.3831 13.5461 13.5484 14.3900 14.3909 15.1206 15.1296 k = 0.2583-1.0433-0.6083 ( 3404 PWs) bands (ev): -4.7737 -4.7735 -4.1588 -4.1586 -3.8768 -3.8763 -2.2419 -2.2394 -1.8929 -1.8893 2.5289 2.5292 2.9541 2.9557 4.3683 4.3703 4.7700 4.7735 5.0114 5.0138 5.7159 5.7193 6.2829 6.2867 7.1836 7.1879 7.1918 7.1924 7.2966 7.2966 7.5983 7.6004 8.1363 8.1364 8.3217 8.3217 8.7938 8.7980 9.0403 9.0404 13.2812 13.2819 13.4530 13.4552 14.3023 14.3032 15.0583 15.0670 k = 0.2667-1.0770-0.6279 ( 3407 PWs) bands (ev): -4.7006 -4.7004 -4.0911 -4.0909 -3.8031 -3.8026 -2.1864 -2.1838 -1.8309 -1.8272 2.5497 2.5499 2.9604 2.9622 4.2245 4.2266 4.6416 4.6451 4.8799 4.8828 5.6113 5.6152 6.1477 6.1515 7.1441 7.1444 7.1711 7.1741 7.2487 7.2487 7.5891 7.5907 8.0973 8.0973 8.2805 8.2806 8.7480 8.7521 9.0093 9.0094 13.1822 13.1829 13.3625 13.3647 14.2164 14.2173 14.9971 15.0055 k = 0.2750-1.1106-0.6476 ( 3408 PWs) bands (ev): -4.6255 -4.6253 -4.0216 -4.0213 -3.7277 -3.7271 -2.1297 -2.1270 -1.7685 -1.7647 2.5653 2.5653 2.9558 2.9577 4.0847 4.0868 4.5193 4.5228 4.7527 4.7561 5.5112 5.5157 6.0104 6.0143 7.0987 7.0988 7.1604 7.1629 7.2018 7.2018 7.5801 7.5811 8.0591 8.0591 8.2400 8.2400 8.7020 8.7060 8.9785 8.9786 13.0857 13.0862 13.2747 13.2768 14.1327 14.1336 14.9370 14.9450 k = 0.2833-1.1443-0.6672 ( 3415 PWs) bands (ev): -4.5485 -4.5483 -3.9502 -3.9499 -3.6506 -3.6500 -2.0720 -2.0692 -1.7059 -1.7020 2.5738 2.5739 2.9384 2.9404 3.9493 3.9513 4.4039 4.4072 4.6317 4.6357 5.4175 5.4226 5.8719 5.8757 7.0544 7.0544 7.1514 7.1530 7.1564 7.1569 7.5707 7.5713 8.0218 8.0219 8.2001 8.2001 8.6562 8.6600 8.9482 8.9482 12.9917 12.9922 13.1897 13.1917 14.0512 14.0521 14.8777 14.8854 k = 0.2917-1.1779-0.6868 ( 3415 PWs) bands (ev): -4.4696 -4.4693 -3.8770 -3.8768 -3.5719 -3.5714 -2.0134 -2.0106 -1.6433 -1.6392 2.5736 2.5738 2.9071 2.9091 3.8183 3.8201 4.2953 4.2984 4.5192 4.5237 5.3325 5.3382 5.7327 5.7366 7.0113 7.0113 7.1115 7.1115 7.1439 7.1454 7.5605 7.5607 7.9856 7.9856 8.1610 8.1610 8.6108 8.6144 8.9183 8.9183 12.9005 12.9009 13.1075 13.1094 13.9721 13.9730 14.8194 14.8266 k = 0.3000-1.2116-0.7064 ( 3416 PWs) bands (ev): -4.3889 -4.3886 -3.8021 -3.8019 -3.4918 -3.4912 -1.9541 -1.9512 -1.5811 -1.5769 2.5627 2.5630 2.8619 2.8637 3.6911 3.6926 4.1930 4.1958 4.4174 4.4225 5.2583 5.2646 5.5936 5.5975 6.9695 6.9695 7.0683 7.0683 7.1356 7.1364 7.5494 7.5494 7.9504 7.9504 8.1228 8.1228 8.5661 8.5694 8.8890 8.8890 12.8123 12.8128 13.0280 13.0298 13.8955 13.8964 14.7617 14.7685 k = 0.3083-1.2452-0.7261 ( 3416 PWs) bands (ev): -4.3063 -4.3060 -3.7256 -3.7254 -3.4103 -3.4097 -1.8942 -1.8913 -1.5195 -1.5151 2.5391 2.5394 2.8037 2.8053 3.5667 3.5680 4.0955 4.0979 4.3286 4.3343 5.1970 5.2038 5.4553 5.4592 6.9291 6.9291 7.0265 7.0265 7.1256 7.1257 7.5372 7.5374 7.9163 7.9164 8.0855 8.0855 8.5223 8.5254 8.8603 8.8603 12.7274 12.7278 12.9515 12.9532 13.8216 13.8225 14.7045 14.7109 k = 0.3167-1.2789-0.7457 ( 3417 PWs) bands (ev): -4.2221 -4.2218 -3.6475 -3.6473 -3.3275 -3.3269 -1.8341 -1.8311 -1.4589 -1.4545 2.5014 2.5016 2.7352 2.7365 3.4439 3.4449 4.0008 4.0027 4.2549 4.2611 5.1497 5.1568 5.3188 5.3228 6.8901 6.8901 6.9860 6.9861 7.1121 7.1128 7.5244 7.5248 7.8835 7.8835 8.0492 8.0492 8.4797 8.4826 8.8323 8.8324 12.6458 12.6462 12.8778 12.8794 13.7504 13.7512 14.6477 14.6536 k = 0.3250-1.3125-0.7653 ( 3422 PWs) bands (ev): -4.1363 -4.1360 -3.5680 -3.5678 -3.2437 -3.2431 -1.7739 -1.7709 -1.3999 -1.3952 2.4486 2.4487 2.6594 2.6604 3.3216 3.3222 3.9065 3.9079 4.1972 4.2039 5.1140 5.1209 5.1883 5.1928 6.8526 6.8526 6.9470 6.9471 7.0946 7.0961 7.5113 7.5117 7.8518 7.8518 8.0140 8.0140 8.4385 8.4411 8.8051 8.8052 12.5678 12.5682 12.8070 12.8086 13.6820 13.6829 14.5910 14.5964 k = 0.3333-1.3462-0.7849 ( 3426 PWs) bands (ev): -4.0490 -4.0486 -3.4871 -3.4870 -3.1590 -3.1584 -1.7141 -1.7109 -1.3428 -1.3380 2.3812 2.3813 2.5795 2.5802 3.1989 3.1994 3.8105 3.8115 4.1552 4.1622 5.0382 5.0424 5.1164 5.1239 6.8166 6.8166 6.9096 6.9096 7.0720 7.0744 7.4983 7.4987 7.8214 7.8214 7.9800 7.9800 8.3987 8.4011 8.7788 8.7788 12.4935 12.4940 12.7392 12.7406 13.6166 13.6174 14.5342 14.5392 k = 0.3417-1.3798-0.8046 ( 3425 PWs) bands (ev): -3.9602 -3.9597 -3.4050 -3.4049 -3.0735 -3.0728 -1.6548 -1.6516 -1.2881 -1.2833 2.3013 2.3017 2.4977 2.4981 3.0759 3.0763 3.7117 3.7124 4.1268 4.1339 4.9153 4.9193 5.1111 5.1189 6.7822 6.7822 6.8737 6.8737 7.0438 7.0470 7.4856 7.4860 7.7923 7.7924 7.9472 7.9472 8.3606 8.3628 8.7534 8.7534 12.4231 12.4236 12.6743 12.6757 13.5541 13.5549 14.4774 14.4817 k = 0.3500-1.4135-0.8242 ( 3421 PWs) bands (ev): -3.8701 -3.8696 -3.3218 -3.3218 -2.9874 -2.9868 -1.5965 -1.5933 -1.2366 -1.2317 2.2123 2.2129 2.4153 2.4154 2.9530 2.9533 3.6098 3.6102 4.1080 4.1149 4.7955 4.7997 5.1232 5.1310 6.7493 6.7494 6.8393 6.8394 7.0093 7.0133 7.4733 7.4737 7.7646 7.7647 7.9157 7.9157 8.3243 8.3263 8.7290 8.7290 12.3566 12.3571 12.6125 12.6137 13.4948 13.4956 14.4204 14.4242 k = 0.3583-1.4472-0.8438 ( 3424 PWs) bands (ev): -3.7788 -3.7783 -3.2378 -3.2377 -2.9011 -2.9005 -1.5397 -1.5364 -1.1889 -1.1839 2.1177 2.1185 2.3330 2.3331 2.8311 2.8314 3.5048 3.5052 4.0921 4.0987 4.6868 4.6913 5.1475 5.1552 6.7181 6.7182 6.8067 6.8067 6.9686 6.9733 7.4611 7.4615 7.7383 7.7383 7.8855 7.8855 8.2899 8.2917 8.7056 8.7056 12.2942 12.2947 12.5536 12.5548 13.4386 13.4393 14.3634 14.3668 k = 0.3667-1.4808-0.8634 ( 3424 PWs) bands (ev): -3.6864 -3.6859 -3.1530 -3.1530 -2.8149 -2.8142 -1.4848 -1.4815 -1.1456 -1.1405 2.0208 2.0217 2.2515 2.2519 2.7114 2.7117 3.3976 3.3978 4.0697 4.0758 4.5973 4.6023 5.1819 5.1894 6.6885 6.6886 6.7757 6.7757 6.9219 6.9271 7.4487 7.4492 7.7134 7.7134 7.8567 7.8567 8.2575 8.2591 8.6833 8.6833 12.2358 12.2364 12.4978 12.4989 13.3855 13.3862 14.3069 14.3098 k = 0.3750-1.5145-0.8830 ( 3428 PWs) bands (ev): -3.5933 -3.5927 -3.0677 -3.0677 -2.7289 -2.7283 -1.4325 -1.4292 -1.1075 -1.1024 1.9238 1.9248 2.1721 2.1727 2.5954 2.5957 3.2888 3.2890 4.0295 4.0347 4.5366 4.5423 5.2242 5.2315 6.6606 6.6607 6.7464 6.7464 6.8696 6.8753 7.4355 7.4360 7.6899 7.6899 7.8294 7.8294 8.2273 8.2287 8.6621 8.6621 12.1815 12.1822 12.4451 12.4461 13.3356 13.3363 14.2511 14.2536 k = 0.3833-1.5481-0.9027 ( 3430 PWs) bands (ev): -3.4995 -3.4988 -2.9823 -2.9822 -2.6438 -2.6431 -1.3834 -1.3800 -1.0752 -1.0701 1.8286 1.8297 2.0954 2.0962 2.4849 2.4854 3.1792 3.1794 3.9643 3.9688 4.5103 4.5166 5.2730 5.2801 6.6344 6.6345 6.7188 6.7189 6.8124 6.8185 7.4207 7.4214 7.6679 7.6679 7.8035 7.8036 8.1994 8.2006 8.6421 8.6421 12.1314 12.1320 12.3956 12.3965 13.2890 13.2896 14.1967 14.1988 k = 0.3917-1.5818-0.9223 ( 3426 PWs) bands (ev): -3.4052 -3.4045 -2.8969 -2.8968 -2.5598 -2.5592 -1.3381 -1.3347 -1.0494 -1.0443 1.7365 1.7377 2.0219 2.0228 2.3823 2.3829 3.0696 3.0699 3.8768 3.8806 4.5146 4.5214 5.3266 5.3335 6.6099 6.6100 6.6931 6.6931 6.7511 6.7574 7.4037 7.4047 7.6474 7.6474 7.7793 7.7793 8.1740 8.1750 8.6233 8.6233 12.0853 12.0860 12.3492 12.3500 13.2457 13.2462 14.1441 14.1458 k = 0.4000-1.6154-0.9419 ( 3427 PWs) bands (ev): -3.3109 -3.3101 -2.8121 -2.8120 -2.4777 -2.4770 -1.2974 -1.2941 -1.0304 -1.0255 1.6486 1.6498 1.9515 1.9524 2.2903 2.2910 2.9609 2.9611 3.7748 3.7782 4.5407 4.5476 5.3840 5.3906 6.5871 6.5873 6.6690 6.6692 6.6865 6.6929 7.3841 7.3854 7.6283 7.6284 7.7566 7.7566 8.1514 8.1522 8.6058 8.6058 12.0433 12.0439 12.3060 12.3067 13.2056 13.2061 14.0937 14.0952 k = 0.4083-1.6491-0.9615 ( 3431 PWs) bands (ev): -3.2168 -3.2160 -2.7283 -2.7281 -2.3979 -2.3973 -1.2621 -1.2588 -1.0186 -1.0138 1.5655 1.5667 1.8837 1.8846 2.2120 2.2129 2.8538 2.8540 3.6650 3.6681 4.5808 4.5878 5.4437 5.4500 6.5659 6.5663 6.6193 6.6258 6.6470 6.6470 7.3615 7.3630 7.6108 7.6108 7.7355 7.7356 8.1315 8.1321 8.5895 8.5895 12.0052 12.0058 12.2660 12.2666 13.1687 13.1692 14.0461 14.0473 k = 0.4167-1.6827-0.9812 ( 3429 PWs) bands (ev): -3.1234 -3.1225 -2.6461 -2.6459 -2.3213 -2.3207 -1.2327 -1.2295 -1.0139 -1.0093 1.4875 1.4887 1.8182 1.8191 2.1501 2.1511 2.7490 2.7493 3.5519 3.5548 4.6300 4.6370 5.5046 5.5106 6.5437 6.5469 6.5535 6.5572 6.6267 6.6267 7.3358 7.3375 7.5948 7.5948 7.7161 7.7162 8.1144 8.1149 8.5746 8.5746 11.9709 11.9716 12.2293 12.2299 13.1351 13.1356 14.0016 14.0026 k = 0.4250-1.7164-1.0008 ( 3425 PWs) bands (ev): -3.0311 -3.0302 -2.5662 -2.5660 -2.2487 -2.2481 -1.2099 -1.2068 -1.0158 -1.0115 1.4148 1.4159 1.7555 1.7564 2.1061 2.1071 2.6475 2.6477 3.4381 3.4408 4.6851 4.6919 5.5655 5.5712 6.4802 6.4874 6.5298 6.5302 6.6083 6.6083 7.3070 7.3090 7.5803 7.5804 7.6985 7.6985 8.1001 8.1005 8.5610 8.5610 11.9405 11.9411 12.1960 12.1965 13.1048 13.1052 13.9606 13.9614 k = 0.4333-1.7500-1.0204 ( 3430 PWs) bands (ev): -2.9408 -2.9398 -2.4897 -2.4894 -2.1811 -2.1805 -1.1939 -1.1910 -1.0237 -1.0197 1.3473 1.3482 1.6976 1.6984 2.0799 2.0809 2.5501 2.5503 3.3254 3.3279 4.7437 4.7504 5.6252 5.6304 6.4116 6.4183 6.5142 6.5143 6.5917 6.5918 7.2758 7.2779 7.5674 7.5674 7.6825 7.6826 8.0885 8.0887 8.5488 8.5488 11.9136 11.9142 12.1660 12.1665 13.0778 13.0781 13.9233 13.9240 k = 0.4417-1.7837-1.0400 ( 3428 PWs) bands (ev): -2.8531 -2.8521 -2.4176 -2.4173 -2.1194 -2.1188 -1.1845 -1.1818 -1.0365 -1.0328 1.2849 1.2857 1.6469 1.6477 2.0699 2.0708 2.4580 2.4582 3.2152 3.2175 4.8041 4.8105 5.6820 5.6867 6.3448 6.3511 6.5004 6.5005 6.5771 6.5772 7.2429 7.2451 7.5560 7.5560 7.6684 7.6684 8.0792 8.0793 8.5379 8.5379 11.8903 11.8909 12.1395 12.1399 13.0540 13.0543 13.8899 13.8905 k = 0.4500-1.8174-1.0597 ( 3432 PWs) bands (ev): -2.7692 -2.7682 -2.3515 -2.3513 -2.0646 -2.0640 -1.1809 -1.1784 -1.0529 -1.0496 1.2276 1.2283 1.6055 1.6063 2.0737 2.0744 2.3729 2.3731 3.1088 3.1109 4.8644 4.8706 5.7340 5.7381 6.2819 6.2877 6.4884 6.4885 6.5644 6.5644 7.2093 7.2115 7.5461 7.5461 7.6561 7.6561 8.0720 8.0720 8.5285 8.5285 11.8704 11.8709 12.1164 12.1167 13.0334 13.0336 13.8607 13.8611 k = 0.4583-1.8510-1.0793 ( 3434 PWs) bands (ev): -2.6905 -2.6895 -2.2932 -2.2930 -2.0175 -2.0169 -1.1817 -1.1796 -1.0717 -1.0688 1.1761 1.1766 1.5747 1.5754 2.0874 2.0880 2.2974 2.2976 3.0075 3.0094 4.9230 4.9286 5.7791 5.7823 6.2253 6.2303 6.4782 6.4783 6.5536 6.5537 7.1763 7.1785 7.5378 7.5378 7.6456 7.6456 8.0665 8.0665 8.5205 8.5205 11.8538 11.8542 12.0968 12.0970 13.0160 13.0162 13.8357 13.8361 k = 0.4667-1.8847-1.0989 ( 3436 PWs) bands (ev): -2.6190 -2.6180 -2.2446 -2.2445 -1.9785 -1.9780 -1.1849 -1.1832 -1.0915 -1.0891 1.1312 1.1316 1.5542 1.5548 2.1040 2.1043 2.2378 2.2379 2.9133 2.9149 4.9776 4.9826 5.8142 5.8165 6.1784 6.1824 6.4699 6.4700 6.5448 6.5448 7.1457 7.1476 7.5310 7.5310 7.6370 7.6370 8.0625 8.0625 8.5139 8.5139 11.8403 11.8407 12.0807 12.0809 13.0018 13.0020 13.8151 13.8154 k = 0.4750-1.9183-1.1185 ( 3436 PWs) bands (ev): -2.5571 -2.5563 -2.2074 -2.2074 -1.9479 -1.9475 -1.1883 -1.1870 -1.1108 -1.1090 1.0943 1.0946 1.5426 1.5431 2.1053 2.1055 2.2105 2.2106 2.8289 2.8303 5.0256 5.0297 5.8371 5.8382 6.1443 6.1470 6.4635 6.4635 6.5379 6.5380 7.1191 7.1207 7.5257 7.5257 7.6302 7.6302 8.0596 8.0597 8.5088 8.5088 11.8300 11.8302 12.0682 12.0683 12.9908 12.9909 13.7990 13.7992 k = 0.4833-1.9520-1.1382 ( 3439 PWs) bands (ev): -2.5083 -2.5076 -2.1823 -2.1822 -1.9257 -1.9254 -1.1903 -1.1895 -1.1280 -1.1267 1.0668 1.0669 1.5375 1.5378 2.0832 2.0833 2.2213 2.2213 2.7589 2.7599 5.0638 5.0669 5.8474 5.8477 6.1240 6.1255 6.4589 6.4589 6.5330 6.5330 7.0984 7.0996 7.5219 7.5219 7.6254 7.6254 8.0578 8.0578 8.5051 8.5051 11.8226 11.8228 12.0592 12.0593 12.9830 12.9830 13.7875 13.7876 k = 0.4917-1.9856-1.1578 ( 3443 PWs) bands (ev): -2.4765 -2.4761 -2.1685 -2.1684 -1.9120 -1.9119 -1.1904 -1.1900 -1.1404 -1.1397 1.0497 1.0498 1.5360 1.5362 2.0614 2.0615 2.2414 2.2414 2.7106 2.7111 5.0891 5.0907 5.8494 5.8495 6.1150 6.1156 6.4561 6.4561 6.5301 6.5301 7.0854 7.0860 7.5196 7.5196 7.6225 7.6225 8.0568 8.0568 8.5029 8.5029 11.8183 11.8184 12.0538 12.0539 12.9782 12.9783 13.7806 13.7806 k = 0.5000-2.0193-1.1774 ( 3440 PWs) bands (ev): -2.4652 -2.4652 -2.1642 -2.1642 -1.9074 -1.9074 -1.1899 -1.1899 -1.1449 -1.1449 1.0440 1.0440 1.5360 1.5360 2.0532 2.0532 2.2504 2.2504 2.6931 2.6931 5.0984 5.0984 5.8491 5.8491 6.1128 6.1128 6.4552 6.4552 6.5291 6.5291 7.0811 7.0811 7.5189 7.5189 7.6216 7.6216 8.0565 8.0565 8.5022 8.5022 11.8169 11.8169 12.0520 12.0520 12.9767 12.9767 13.7783 13.7783 k = 0.5000-2.0193-1.1774 ( 3440 PWs) bands (ev): -2.4652 -2.4652 -2.1642 -2.1642 -1.9074 -1.9074 -1.1899 -1.1899 -1.1449 -1.1449 1.0440 1.0440 1.5360 1.5360 2.0532 2.0532 2.2504 2.2504 2.6931 2.6931 5.0984 5.0984 5.8491 5.8491 6.1128 6.1128 6.4552 6.4552 6.5291 6.5291 7.0811 7.0811 7.5189 7.5189 7.6216 7.6216 8.0565 8.0565 8.5022 8.5022 11.8169 11.8169 12.0520 12.0520 12.9767 12.9767 13.7783 13.7783 k = 0.5000-1.9991-1.2121 ( 3440 PWs) bands (ev): -2.4642 -2.4641 -2.1632 -2.1631 -1.9065 -1.9065 -1.1894 -1.1893 -1.1444 -1.1443 1.0451 1.0452 1.5369 1.5370 2.0541 2.0542 2.2511 2.2513 2.6938 2.6938 5.0985 5.0988 5.8489 5.8494 6.1112 6.1119 6.4471 6.4480 6.5210 6.5221 7.0760 7.0777 7.5155 7.5169 7.6160 7.6174 8.0559 8.0562 8.4955 8.4958 11.8238 11.8244 12.0596 12.0601 12.9832 12.9836 13.7844 13.7845 k = 0.5000-1.9789-1.2467 ( 3444 PWs) bands (ev): -2.4610 -2.4609 -2.1603 -2.1601 -1.9038 -1.9037 -1.1878 -1.1876 -1.1428 -1.1425 1.0485 1.0486 1.5398 1.5401 2.0570 2.0570 2.2536 2.2539 2.6960 2.6960 5.0992 5.0998 5.8485 5.8496 6.1070 6.1083 6.4240 6.4258 6.4981 6.5004 7.0621 7.0655 7.5070 7.5097 7.6011 7.6041 8.0545 8.0550 8.4757 8.4764 11.8450 11.8461 12.0824 12.0834 13.0031 13.0038 13.8026 13.8028 k = 0.5000-1.9587-1.2814 ( 3440 PWs) bands (ev): -2.4557 -2.4555 -2.1553 -2.1551 -1.8992 -1.8991 -1.1852 -1.1849 -1.1400 -1.1396 1.0541 1.0544 1.5447 1.5451 2.0617 2.0617 2.2578 2.2582 2.6996 2.6996 5.1003 5.1012 5.8478 5.8494 6.0998 6.1019 6.3865 6.3892 6.4615 6.4651 7.0388 7.0436 7.4938 7.4972 7.5785 7.5833 8.0521 8.0527 8.4433 8.4442 11.8795 11.8812 12.1198 12.1213 13.0361 13.0371 13.8325 13.8328 k = 0.5000-1.9385-1.3160 ( 3432 PWs) bands (ev): -2.4482 -2.4480 -2.1484 -2.1482 -1.8928 -1.8926 -1.1814 -1.1811 -1.1362 -1.1355 1.0621 1.0624 1.5516 1.5521 2.0683 2.0683 2.2636 2.2642 2.7046 2.7047 5.1017 5.1029 5.8460 5.8483 6.0891 6.0920 6.3358 6.3394 6.4132 6.4181 7.0053 7.0111 7.4748 7.4784 7.5514 7.5583 8.0483 8.0491 8.3986 8.3999 11.9263 11.9284 12.1704 12.1723 13.0818 13.0831 13.8736 13.8740 k = 0.5000-1.9183-1.3507 ( 3430 PWs) bands (ev): -2.4387 -2.4385 -2.1396 -2.1393 -1.8846 -1.8844 -1.1767 -1.1762 -1.1312 -1.1304 1.0723 1.0727 1.5604 1.5610 2.0768 2.0768 2.2711 2.2719 2.7109 2.7110 5.1029 5.1045 5.8419 5.8449 6.0741 6.0779 6.2732 6.2779 6.3558 6.3623 6.9609 6.9674 7.4471 7.4507 7.5256 7.5345 8.0430 8.0439 8.3425 8.3440 11.9838 11.9863 12.2327 12.2349 13.1396 13.1412 13.9249 13.9254 k = 0.5000-1.8980-1.3853 ( 3420 PWs) bands (ev): -2.4270 -2.4268 -2.1288 -2.1284 -1.8745 -1.8744 -1.1710 -1.1704 -1.1253 -1.1243 1.0848 1.0853 1.5711 1.5718 2.0870 2.0870 2.2803 2.2811 2.7186 2.7187 5.1036 5.1057 5.8338 5.8376 6.0530 6.0579 6.2008 6.2065 6.2934 6.3017 6.9055 6.9123 7.4082 7.4122 7.5062 7.5161 8.0360 8.0370 8.2755 8.2773 12.0500 12.0528 12.3046 12.3071 13.2090 13.2107 13.9856 13.9860 k = 0.5000-1.8778-1.4200 ( 3428 PWs) bands (ev): -2.4133 -2.4130 -2.1160 -2.1156 -1.8628 -1.8625 -1.1644 -1.1637 -1.1183 -1.1172 1.0996 1.1002 1.5837 1.5846 2.0989 2.0990 2.2910 2.2920 2.7275 2.7276 5.1031 5.1057 5.8185 5.8230 6.0226 6.0285 6.1216 6.1284 6.2321 6.2423 6.8398 6.8466 7.3604 7.3652 7.4933 7.5033 8.0270 8.0280 8.1987 8.2006 12.1229 12.1259 12.3839 12.3867 13.2891 13.2911 14.0543 14.0547 k = 0.5000-1.8576-1.4546 ( 3420 PWs) bands (ev): -2.3974 -2.3971 -2.1014 -2.1009 -1.8492 -1.8490 -1.1569 -1.1561 -1.1104 -1.1091 1.1166 1.1172 1.5982 1.5992 2.1126 2.1126 2.3033 2.3045 2.7375 2.7377 5.1004 5.1035 5.7916 5.7965 5.9768 5.9822 6.0425 6.0493 6.1803 6.1915 6.7649 6.7714 7.3077 7.3133 7.4848 7.4944 8.0160 8.0169 8.1132 8.1151 12.2003 12.2035 12.4686 12.4714 13.3795 13.3815 14.1298 14.1302 k = 0.5000-1.8374-1.4893 ( 3416 PWs) bands (ev): -2.3795 -2.3791 -2.0848 -2.0842 -1.8340 -1.8337 -1.1486 -1.1477 -1.1017 -1.1003 1.1357 1.1365 1.6145 1.6156 2.1278 2.1278 2.3172 2.3184 2.7486 2.7488 5.0942 5.0979 5.7480 5.7527 5.9079 5.9095 5.9748 5.9793 6.1441 6.1553 6.6823 6.6883 7.2536 7.2600 7.4789 7.4879 8.0012 8.0024 8.0221 8.0222 12.2802 12.2835 12.5562 12.5590 13.4791 13.4813 14.2102 14.2106 k = 0.5000-1.8172-1.5240 ( 3416 PWs) bands (ev): -2.3595 -2.3591 -2.0664 -2.0658 -1.8170 -1.8167 -1.1397 -1.1387 -1.0923 -1.0906 1.1571 1.1580 1.6325 1.6337 2.1445 2.1445 2.3325 2.3339 2.7606 2.7608 5.0825 5.0869 5.6846 5.6886 5.8195 5.8227 5.9149 5.9185 6.1239 6.1340 6.5937 6.5992 7.2006 7.2077 7.4745 7.4829 7.9170 7.9201 7.9887 7.9906 12.3604 12.3637 12.6448 12.6476 13.5870 13.5892 14.2933 14.2938 k = 0.5000-1.7970-1.5586 ( 3410 PWs) bands (ev): -2.3375 -2.3370 -2.0462 -2.0455 -1.7985 -1.7981 -1.1301 -1.1290 -1.0821 -1.0803 1.1807 1.1816 1.6523 1.6536 2.1625 2.1626 2.3492 2.3507 2.7734 2.7736 5.0625 5.0675 5.6026 5.6062 5.7283 5.7336 5.8540 5.8580 6.1160 6.1250 6.5010 6.5059 7.1510 7.1586 7.4708 7.4785 7.8106 7.8135 7.9718 7.9734 12.4392 12.4424 12.7328 12.7353 13.7017 13.7039 14.3758 14.3763 k = 0.5000-1.7768-1.5933 ( 3412 PWs) bands (ev): -2.3135 -2.3129 -2.0241 -2.0234 -1.7783 -1.7779 -1.1201 -1.1189 -1.0715 -1.0695 1.2064 1.2074 1.6736 1.6751 2.1817 2.1818 2.3674 2.3690 2.7867 2.7870 5.0310 5.0366 5.5057 5.5096 5.6434 5.6502 5.7882 5.7926 6.1169 6.1248 6.4064 6.4106 7.1063 7.1143 7.4665 7.4739 7.6991 7.7018 7.9532 7.9547 12.5148 12.5179 12.8185 12.8208 13.8215 13.8236 14.4530 14.4536 k = 0.5000-1.7566-1.6279 ( 3420 PWs) bands (ev): -2.2874 -2.2869 -2.0004 -1.9995 -1.7565 -1.7561 -1.1098 -1.1084 -1.0604 -1.0583 1.2342 1.2352 1.6965 1.6981 2.2019 2.2020 2.3869 2.3886 2.8005 2.8008 4.9849 4.9907 5.3990 5.4034 5.5692 5.5767 5.7154 5.7200 6.1238 6.1309 6.3124 6.3159 7.0676 7.0758 7.4598 7.4675 7.5848 7.5872 7.9332 7.9346 12.5859 12.5889 12.9010 12.9031 13.9437 13.9457 14.5194 14.5200 k = 0.5000-1.7364-1.6626 ( 3426 PWs) bands (ev): -2.2595 -2.2588 -1.9749 -1.9740 -1.7333 -1.7329 -1.0992 -1.0978 -1.0491 -1.0468 1.2640 1.2651 1.7209 1.7226 2.2227 2.2229 2.4077 2.4096 2.8143 2.8146 4.9226 4.9280 5.2865 5.2912 5.5069 5.5141 5.6351 5.6395 6.1336 6.1398 6.2232 6.2255 7.0355 7.0437 7.4334 7.4443 7.4829 7.4871 7.9122 7.9134 12.6517 12.6544 12.9794 12.9813 14.0648 14.0666 14.5707 14.5713 k = 0.5000-1.7162-1.6972 ( 3422 PWs) bands (ev): -2.2295 -2.2288 -1.9477 -1.9468 -1.7086 -1.7082 -1.0887 -1.0871 -1.0377 -1.0351 1.2959 1.2971 1.7466 1.7484 2.2440 2.2443 2.4299 2.4318 2.8280 2.8283 4.8448 4.8496 5.1713 5.1763 5.4532 5.4592 5.5486 5.5524 6.1206 6.1250 6.1646 6.1695 7.0100 7.0180 7.3313 7.3374 7.4592 7.4594 7.8905 7.8915 12.7114 12.7139 13.0534 13.0550 14.1793 14.1810 14.6075 14.6080 k = 0.5000-1.6960-1.7319 ( 3420 PWs) bands (ev): -2.1977 -2.1970 -1.9190 -1.9179 -1.6826 -1.6821 -1.0783 -1.0766 -1.0264 -1.0236 1.3297 1.3310 1.7734 1.7753 2.2652 2.2656 2.4534 2.4554 2.8412 2.8416 4.7547 4.7587 5.0556 5.0607 5.3994 5.4038 5.4600 5.4633 6.0526 6.0558 6.1735 6.1789 6.9907 6.9986 7.2103 7.2154 7.4462 7.4468 7.8688 7.8696 12.7647 12.7669 13.1225 13.1239 14.2783 14.2799 14.6379 14.6386 k = 0.5000-1.6758-1.7665 ( 3422 PWs) bands (ev): -2.1640 -2.1632 -1.8887 -1.8876 -1.6553 -1.6548 -1.0683 -1.0665 -1.0154 -1.0124 1.3655 1.3668 1.8013 1.8033 2.2860 2.2865 2.4783 2.4803 2.8535 2.8539 4.6561 4.6592 4.9410 4.9462 5.3252 5.3304 5.3828 5.3875 5.9908 5.9935 6.1903 6.1955 6.9770 6.9844 7.0877 7.0926 7.4310 7.4317 7.8477 7.8482 12.8114 12.8134 13.1864 13.1877 14.3489 14.3507 14.6765 14.6776 k = 0.5000-1.6556-1.8012 ( 3418 PWs) bands (ev): -2.1285 -2.1276 -1.8570 -1.8558 -1.6269 -1.6263 -1.0589 -1.0570 -1.0049 -1.0018 1.4030 1.4044 1.8301 1.8322 2.3058 2.3065 2.5045 2.5065 2.8645 2.8649 4.5526 4.5549 4.8288 4.8341 5.2275 5.2326 5.3208 5.3250 5.9439 5.9466 6.2072 6.2122 6.9569 6.9617 6.9778 6.9851 7.4112 7.4127 7.8277 7.8282 12.8517 12.8534 13.2448 13.2460 14.3829 14.3850 14.7335 14.7350 k = 0.5000-1.6354-1.8359 ( 3428 PWs) bands (ev): -2.0912 -2.0903 -1.8239 -1.8226 -1.5974 -1.5968 -1.0505 -1.0484 -0.9952 -0.9919 1.4423 1.4438 1.8594 1.8617 2.3241 2.3249 2.5321 2.5340 2.8737 2.8741 4.4469 4.4486 4.7203 4.7255 5.1213 5.1258 5.2579 5.2609 5.9133 5.9163 6.2213 6.2261 6.8466 6.8508 6.9670 6.9741 7.3863 7.3888 7.8093 7.8101 12.8859 12.8874 13.2974 13.2986 14.3870 14.3892 14.8029 14.8046 k = 0.5000-1.6151-1.8705 ( 3428 PWs) bands (ev): -2.0522 -2.0513 -1.7895 -1.7882 -1.5669 -1.5663 -1.0431 -1.0410 -0.9866 -0.9831 1.4833 1.4847 1.8892 1.8915 2.3402 2.3413 2.5609 2.5628 2.8806 2.8809 4.3413 4.3425 4.6162 4.6213 5.0122 5.0162 5.1901 5.1922 5.8980 5.9012 6.2281 6.2326 6.7386 6.7427 6.9669 6.9735 7.3557 7.3591 7.7931 7.7942 12.9144 12.9158 13.3439 13.3451 14.3738 14.3760 14.8707 14.8725 k = 0.5000-1.5949-1.9052 ( 3434 PWs) bands (ev): -2.0116 -2.0105 -1.7540 -1.7526 -1.5357 -1.5351 -1.0373 -1.0350 -0.9793 -0.9756 1.5257 1.5272 1.9191 1.9215 2.3537 2.3549 2.5909 2.5927 2.8846 2.8850 4.2377 4.2385 4.5173 4.5222 4.9027 4.9062 5.1193 5.1208 5.8956 5.8989 6.2193 6.2238 6.6478 6.6517 6.9702 6.9765 7.3193 7.3236 7.7792 7.7807 12.9380 12.9391 13.3837 13.3848 14.3518 14.3540 14.9257 14.9275 k = 0.5000-1.5747-1.9398 ( 3430 PWs) bands (ev): -1.9694 -1.9683 -1.7174 -1.7160 -1.5039 -1.5032 -1.0332 -1.0308 -0.9738 -0.9699 1.5695 1.5711 1.9488 1.9512 2.3640 2.3654 2.6217 2.6233 2.8855 2.8858 4.1374 4.1380 4.4241 4.4286 4.7951 4.7982 5.0484 5.0494 5.9031 5.9064 6.1840 6.1885 6.5859 6.5895 6.9764 6.9823 7.2773 7.2824 7.7676 7.7692 12.9571 12.9581 13.4162 13.4173 14.3256 14.3279 14.9620 14.9635 k = 0.5000-1.5545-1.9745 ( 3430 PWs) bands (ev): -1.9257 -1.9245 -1.6799 -1.6784 -1.4716 -1.4709 -1.0313 -1.0288 -0.9703 -0.9662 1.6145 1.6161 1.9779 1.9804 2.3708 2.3724 2.6526 2.6541 2.8830 2.8832 4.0416 4.0423 4.3366 4.3406 4.6914 4.6942 4.9802 4.9809 5.9180 5.9211 6.1171 6.1217 6.5585 6.5620 6.9848 6.9903 7.2301 7.2359 7.7578 7.7595 12.9726 12.9734 13.4408 13.4418 14.2974 14.2997 14.9790 14.9801 k = 0.5000-1.5343-2.0091 ( 3436 PWs) bands (ev): -1.8806 -1.8793 -1.6417 -1.6401 -1.4392 -1.4384 -1.0318 -1.0293 -0.9692 -0.9649 1.6605 1.6621 2.0061 2.0086 2.3738 2.3756 2.6824 2.6837 2.8774 2.8776 3.9516 3.9524 4.2543 4.2575 4.5941 4.5970 4.9173 4.9179 5.9371 5.9393 6.0276 6.0330 6.5582 6.5616 6.9950 7.0001 7.1786 7.1849 7.7493 7.7511 12.9851 12.9858 13.4568 13.4576 14.2685 14.2708 14.9820 14.9829 k = 0.5000-1.5141-2.0438 ( 3438 PWs) bands (ev): -1.8343 -1.8329 -1.6029 -1.6012 -1.4068 -1.4060 -1.0352 -1.0326 -0.9708 -0.9664 1.7072 1.7089 2.0329 2.0353 2.3731 2.3750 2.7086 2.7098 2.8702 2.8707 3.8682 3.8692 4.1760 4.1782 4.5061 4.5095 4.8619 4.8623 5.9136 5.9152 5.9718 5.9776 6.5741 6.5774 7.0062 7.0107 7.1241 7.1305 7.7418 7.7435 12.9954 12.9960 13.4637 13.4643 14.2393 14.2416 14.9785 14.9793 k = 0.5000-1.4939-2.0785 ( 3436 PWs) bands (ev): -1.7868 -1.7854 -1.5637 -1.5620 -1.3748 -1.3741 -1.0418 -1.0391 -0.9754 -0.9708 1.7544 1.7560 2.0578 2.0602 2.3690 2.3710 2.7263 2.7276 2.8657 2.8666 3.7926 3.7937 4.1002 4.1013 4.4306 4.4348 4.8153 4.8156 5.8082 5.8113 5.9952 5.9993 6.5990 6.6023 7.0155 7.0185 7.0711 7.0764 7.7346 7.7363 13.0041 13.0047 13.4613 13.4617 14.2103 14.2126 14.9749 14.9758 k = 0.5000-1.4737-2.1131 ( 3438 PWs) bands (ev): -1.7385 -1.7370 -1.5244 -1.5226 -1.3437 -1.3430 -1.0520 -1.0492 -0.9832 -0.9785 1.8015 1.8032 2.0805 2.0827 2.3619 2.3639 2.7287 2.7301 2.8701 2.8714 3.7256 3.7270 4.0252 4.0259 4.3702 4.3753 4.7786 4.7789 5.6982 5.7015 6.0235 6.0270 6.6289 6.6322 6.9921 6.9979 7.0490 7.0515 7.7274 7.7289 13.0120 13.0125 13.4499 13.4500 14.1815 14.1838 14.9757 14.9766 k = 0.5000-1.4535-2.1478 ( 3434 PWs) bands (ev): -1.6895 -1.6879 -1.4852 -1.4833 -1.3141 -1.3133 -1.0658 -1.0631 -0.9944 -0.9896 1.8482 1.8498 2.1005 2.1025 2.3529 2.3548 2.7133 2.7145 2.8856 2.8871 3.6683 3.6699 3.9506 3.9521 4.3263 4.3322 4.7524 4.7528 5.5893 5.5926 6.0521 6.0551 6.6615 6.6649 6.9360 6.9432 7.0592 7.0628 7.7197 7.7209 13.0196 13.0201 13.4299 13.4301 14.1531 14.1553 14.9833 14.9842 k = 0.5000-1.4333-2.1824 ( 3430 PWs) bands (ev): -1.6402 -1.6385 -1.4463 -1.4444 -1.2868 -1.2859 -1.0837 -1.0810 -1.0086 -1.0038 1.8938 1.8953 2.1174 2.1190 2.3431 2.3447 2.6843 2.6854 2.9076 2.9089 3.6218 3.6236 3.8784 3.8805 4.2987 4.3052 4.7368 4.7372 5.4836 5.4868 6.0787 6.0812 6.6954 6.6989 6.8780 6.8851 7.0756 7.0790 7.7111 7.7121 13.0274 13.0278 13.4025 13.4030 14.1253 14.1275 14.9987 14.9998 k = 0.5000-1.4131-2.2171 ( 3436 PWs) bands (ev): -1.5912 -1.5894 -1.4081 -1.4062 -1.2631 -1.2622 -1.1055 -1.1029 -1.0252 -1.0204 1.9373 1.9387 2.1310 2.1321 2.3338 2.3351 2.6466 2.6474 2.9307 2.9320 3.5869 3.5889 3.8106 3.8133 4.2860 4.2929 4.7316 4.7321 5.3824 5.3856 6.1010 6.1027 6.7288 6.7324 6.8240 6.8309 7.0944 7.0975 7.7013 7.7021 13.0357 13.0362 13.3691 13.3699 14.0982 14.1003 15.0221 15.0234 k = 0.5000-1.3929-2.2517 ( 3438 PWs) bands (ev): -1.5436 -1.5417 -1.3710 -1.3691 -1.2451 -1.2438 -1.1311 -1.1289 -1.0424 -1.0377 1.9774 1.9787 2.1413 2.1419 2.3266 2.3275 2.6037 2.6042 2.9518 2.9530 3.5645 3.5667 3.7495 3.7525 4.2866 4.2935 4.7362 4.7367 5.2872 5.2902 6.1154 6.1165 6.7540 6.7560 6.7865 6.7912 7.1152 7.1180 7.6902 7.6907 13.0450 13.0455 13.3315 13.3325 14.0721 14.0742 15.0531 15.0547 k = 0.5000-1.3727-2.2864 ( 3444 PWs) bands (ev): -1.4989 -1.4969 -1.3355 -1.3338 -1.2355 -1.2336 -1.1603 -1.1584 -1.0568 -1.0524 2.0121 2.0132 2.1491 2.1497 2.3226 2.3232 2.5581 2.5583 2.9690 2.9702 3.5546 3.5571 3.6971 3.7005 4.2985 4.3056 4.7500 4.7506 5.1991 5.2019 6.1175 6.1191 6.7334 6.7366 6.8032 6.8054 7.1383 7.1408 7.6773 7.6776 13.0554 13.0559 13.2911 13.2923 14.0475 14.0495 15.0911 15.0930 k = 0.5000-1.3525-2.3210 ( 3440 PWs) bands (ev): -1.4611 -1.4589 -1.3026 -1.3015 -1.2356 -1.2326 -1.1925 -1.1906 -1.0644 -1.0604 2.0379 2.0387 2.1571 2.1585 2.3216 2.3228 2.5126 2.5130 2.9816 2.9828 3.5568 3.5596 3.6553 3.6589 4.3205 4.3275 4.7722 4.7728 5.1194 5.1219 6.1036 6.1067 6.7138 6.7162 6.8312 6.8339 7.1641 7.1663 7.6626 7.6628 13.0670 13.0676 13.2497 13.2511 14.0246 14.0265 15.1353 15.1376 k = 0.5000-1.3322-2.3557 ( 3446 PWs) bands (ev): -1.4374 -1.4349 -1.2802 -1.2791 -1.2393 -1.2359 -1.2218 -1.2186 -1.0639 -1.0601 2.0505 2.0512 2.1702 2.1721 2.3223 2.3242 2.4713 2.4722 2.9897 2.9910 3.5681 3.5716 3.6264 3.6305 4.3511 4.3580 4.8019 4.8026 5.0491 5.0515 6.0725 6.0771 6.7103 6.7115 6.8573 6.8600 7.1930 7.1950 7.6457 7.6461 13.0795 13.0803 13.2089 13.2105 14.0040 14.0058 15.1850 15.1876 k = 0.5000-1.3120-2.3904 ( 3450 PWs) bands (ev): -1.4377 -1.4353 -1.2993 -1.2976 -1.2354 -1.2313 -1.2164 -1.2129 -1.0576 -1.0539 2.0492 2.0499 2.1901 2.1922 2.3197 2.3222 2.4412 2.4425 2.9945 2.9958 3.5775 3.5809 3.6214 3.6250 4.3892 4.3961 4.8383 4.8391 4.9896 4.9916 6.0253 6.0314 6.7228 6.7230 6.8796 6.8823 7.2255 7.2273 7.6267 7.6274 13.0914 13.0926 13.1715 13.1734 13.9859 13.9875 15.2393 15.2422 k = 0.8300-1.2718-2.3192 ( 3450 PWs) bands (ev): -1.4377 -1.4353 -1.2993 -1.2976 -1.2354 -1.2313 -1.2164 -1.2129 -1.0576 -1.0539 2.0492 2.0499 2.1901 2.1922 2.3197 2.3222 2.4412 2.4425 2.9945 2.9958 3.5775 3.5809 3.6214 3.6250 4.3892 4.3961 4.8383 4.8391 4.9896 4.9916 6.0253 6.0314 6.7228 6.7230 6.8796 6.8823 7.2255 7.2273 7.6267 7.6274 13.0914 13.0926 13.1715 13.1734 13.9859 13.9875 15.2393 15.2422 k = 0.8252-1.2522-2.2846 ( 3442 PWs) bands (ev): -1.4645 -1.4624 -1.3479 -1.3458 -1.2209 -1.2179 -1.1852 -1.1831 -1.0486 -1.0446 2.0375 2.0383 2.2147 2.2167 2.3068 2.3092 2.4307 2.4320 2.9970 2.9983 3.5754 3.5774 3.6483 3.6500 4.4339 4.4408 4.8805 4.8816 4.9418 4.9436 5.9655 5.9727 6.7477 6.7487 6.8975 6.9001 7.2616 7.2631 7.6055 7.6065 13.0949 13.0970 13.1463 13.1486 13.9708 13.9723 15.2976 15.3008 k = 0.8203-1.2326-2.2500 ( 3438 PWs) bands (ev): -1.5106 -1.5088 -1.4068 -1.4043 -1.2027 -1.2010 -1.1498 -1.1477 -1.0382 -1.0336 2.0194 2.0202 2.2418 2.2437 2.2843 2.2861 2.4397 2.4407 2.9984 2.9996 3.5749 3.5766 3.6895 3.6907 4.4845 4.4913 4.9048 4.9068 4.9299 4.9302 5.8966 5.9046 6.7828 6.7844 6.9106 6.9130 7.3011 7.3025 7.5823 7.5835 13.0763 13.0783 13.1491 13.1508 13.9589 13.9602 15.3592 15.3627 k = 0.8155-1.2130-2.2154 ( 3440 PWs) bands (ev): -1.5691 -1.5674 -1.4724 -1.4698 -1.1873 -1.1861 -1.1171 -1.1142 -1.0243 -1.0191 1.9981 1.9989 2.2592 2.2605 2.2707 2.2724 2.4610 2.4619 2.9990 3.0000 3.5819 3.5837 3.7382 3.7395 4.5402 4.5470 4.8829 4.8843 4.9814 4.9820 5.8218 5.8304 6.8252 6.8273 6.9191 6.9213 7.3437 7.3450 7.5571 7.5586 13.0487 13.0504 13.1667 13.1680 13.9505 13.9517 15.4235 15.4273 k = 0.8106-1.1934-2.1807 ( 3438 PWs) bands (ev): -1.6361 -1.6344 -1.5437 -1.5410 -1.1769 -1.1756 -1.0951 -1.0921 -1.0012 -0.9958 1.9761 1.9770 2.2370 2.2381 2.3002 2.3019 2.4900 2.4911 2.9988 2.9997 3.5976 3.5996 3.7924 3.7937 4.6004 4.6072 4.8731 4.8743 5.0373 5.0381 5.7437 5.7528 6.8729 6.8753 6.9230 6.9250 7.3886 7.3897 7.5304 7.5321 13.0223 13.0239 13.1893 13.1904 13.9457 13.9467 15.4901 15.4941 k = 0.8057-1.1738-2.1461 ( 3440 PWs) bands (ev): -1.7096 -1.7079 -1.6199 -1.6172 -1.1725 -1.1709 -1.0883 -1.0858 -0.9666 -0.9616 1.9557 1.9565 2.2194 2.2203 2.3307 2.3324 2.5252 2.5263 2.9977 2.9986 3.6226 3.6249 3.8507 3.8521 4.6648 4.6716 4.8759 4.8769 5.0961 5.0972 5.6648 5.6742 6.9206 6.9216 6.9266 6.9293 7.4334 7.4339 7.5047 7.5062 12.9998 13.0013 13.2148 13.2159 13.9446 13.9455 15.5581 15.5624 k = 0.8009-1.1542-2.1115 ( 3446 PWs) bands (ev): -1.7882 -1.7866 -1.7004 -1.6979 -1.1744 -1.1726 -1.0939 -1.0918 -0.9257 -0.9210 1.9388 1.9397 2.2075 2.2083 2.3615 2.3632 2.5658 2.5670 2.9963 2.9972 3.6571 3.6598 3.9118 3.9133 4.7328 4.7395 4.8905 4.8914 5.1563 5.1576 5.5879 5.5974 6.9179 6.9191 6.9785 6.9812 7.4534 7.4556 7.5031 7.5043 12.9821 12.9834 13.2428 13.2440 13.9473 13.9480 15.6268 15.6313 k = 0.7960-1.1346-2.0768 ( 3438 PWs) bands (ev): -1.8711 -1.8695 -1.7848 -1.7823 -1.1830 -1.1810 -1.1084 -1.1065 -0.8830 -0.8784 1.9272 1.9280 2.2019 2.2026 2.3917 2.3934 2.6117 2.6130 2.9957 2.9966 3.7009 3.7039 3.9747 3.9764 4.8040 4.8107 4.9161 4.9169 5.2141 5.2160 5.5175 5.5270 6.9098 6.9108 7.0333 7.0360 7.4295 7.4324 7.5464 7.5478 12.9697 12.9709 13.2733 13.2745 13.9536 13.9542 15.6952 15.6998 k = 0.7912-1.1150-2.0422 ( 3444 PWs) bands (ev): -1.9576 -1.9561 -1.8725 -1.8702 -1.1986 -1.1965 -1.1305 -1.1286 -0.8410 -0.8363 1.9221 1.9228 2.2029 2.2035 2.4201 2.4217 2.6628 2.6642 2.9980 2.9989 3.7535 3.7567 4.0381 4.0399 4.8779 4.8847 4.9517 4.9525 5.2587 5.2618 5.4661 5.4746 6.8981 6.8990 7.0874 7.0901 7.3995 7.4026 7.5977 7.5991 12.9629 12.9640 13.3061 13.3073 13.9635 13.9639 15.7607 15.7653 k = 0.7863-1.0954-2.0076 ( 3446 PWs) bands (ev): -2.0472 -2.0458 -1.9631 -1.9609 -1.2214 -1.2192 -1.1592 -1.1574 -0.8008 -0.7960 1.9243 1.9250 2.2109 2.2115 2.4450 2.4466 2.7190 2.7205 3.0059 3.0067 3.8140 3.8174 4.1005 4.1023 4.9540 4.9608 4.9962 4.9971 5.2642 5.2698 5.4615 5.4670 6.8833 6.8840 7.1375 7.1398 7.3725 7.3754 7.6510 7.6523 12.9619 12.9629 13.3411 13.3425 13.9767 13.9769 15.8186 15.8226 k = 0.7815-1.0758-1.9729 ( 3442 PWs) bands (ev): -2.1394 -2.1380 -2.0561 -2.0540 -1.2512 -1.2490 -1.1943 -1.1924 -0.7635 -0.7584 1.9345 1.9351 2.2258 2.2264 2.4652 2.4668 2.7803 2.7818 3.0218 3.0227 3.8814 3.8850 4.1598 4.1618 5.0311 5.0378 5.0488 5.0498 5.2301 5.2373 5.5068 5.5098 6.8654 6.8662 7.1751 7.1764 7.3574 7.3597 7.7052 7.7064 12.9669 12.9677 13.3785 13.3799 13.9930 13.9931 15.8595 15.8622 k = 0.7766-1.0562-1.9383 ( 3444 PWs) bands (ev): -2.2336 -2.2323 -2.1510 -2.1491 -1.2880 -1.2857 -1.2352 -1.2333 -0.7296 -0.7243 1.9529 1.9535 2.2478 2.2484 2.4800 2.4816 2.8464 2.8480 3.0479 3.0488 3.9548 3.9584 4.2135 4.2158 5.1040 5.1061 5.1099 5.1128 5.1931 5.1990 5.5734 5.5753 6.8450 6.8458 7.1855 7.1864 7.3686 7.3699 7.7599 7.7611 12.9778 12.9786 13.4180 13.4195 14.0121 14.0122 15.8780 15.8794 k = 0.7718-1.0366-1.9037 ( 3438 PWs) bands (ev): -2.3295 -2.3283 -2.2476 -2.2458 -1.3313 -1.3290 -1.2816 -1.2797 -0.6998 -0.6943 1.9796 1.9801 2.2765 2.2771 2.4897 2.4914 2.9172 2.9188 3.0850 3.0859 4.0331 4.0367 4.2584 4.2611 5.1276 5.1356 5.1716 5.1722 5.2157 5.2205 5.6480 5.6495 6.8222 6.8232 7.1668 7.1693 7.4065 7.4082 7.8148 7.8160 12.9949 12.9955 13.4596 13.4612 14.0338 14.0340 15.8794 15.8799 k = 0.7669-1.0170-1.8691 ( 3438 PWs) bands (ev): -2.4267 -2.4256 -2.3455 -2.3438 -1.3807 -1.3784 -1.3331 -1.3312 -0.6746 -0.6689 2.0143 2.0149 2.3114 2.3120 2.4958 2.4975 2.9926 2.9942 3.1327 3.1337 4.1151 4.1186 4.2910 4.2943 5.1105 5.1190 5.2417 5.2424 5.2923 5.2982 5.7267 5.7279 6.7976 6.7989 7.1335 7.1369 7.4587 7.4608 7.8698 7.8709 13.0178 13.0184 13.5032 13.5049 14.0577 14.0581 15.8688 15.8691 k = 0.7621-0.9974-1.8344 ( 3440 PWs) bands (ev): -2.5250 -2.5239 -2.4443 -2.4427 -1.4355 -1.4333 -1.3892 -1.3873 -0.6545 -0.6486 2.0568 2.0573 2.3515 2.3522 2.5007 2.5025 3.0722 3.0739 3.1902 3.1911 4.1981 4.2011 4.3106 4.3146 5.1080 5.1159 5.3160 5.3168 5.3761 5.3822 5.8077 5.8088 6.7717 6.7731 7.0941 7.0980 7.5170 7.5193 7.9245 7.9255 13.0467 13.0472 13.5487 13.5504 14.0837 14.0841 15.8491 15.8499 k = 0.7572-0.9778-1.7998 ( 3440 PWs) bands (ev): -2.6239 -2.6229 -2.5437 -2.5422 -1.4953 -1.4931 -1.4496 -1.4477 -0.6398 -0.6337 2.1066 2.1071 2.3943 2.3951 2.5081 2.5100 3.1560 3.1578 3.2561 3.2571 4.2652 4.2667 4.3330 4.3375 5.1262 5.1334 5.3940 5.3949 5.4619 5.4680 5.8900 5.8912 6.7450 6.7467 7.0522 7.0564 7.5779 7.5802 7.9788 7.9798 13.0813 13.0819 13.5959 13.5977 14.1114 14.1120 15.8225 15.8238 k = 0.7524-0.9582-1.7652 ( 3444 PWs) bands (ev): -2.7232 -2.7223 -2.6435 -2.6422 -1.5593 -1.5572 -1.5138 -1.5119 -0.6308 -0.6246 2.1631 2.1637 2.4338 2.4346 2.5252 2.5271 3.2437 3.2456 3.3291 3.3301 4.2702 4.2746 4.4035 4.4080 5.1645 5.1709 5.4748 5.4758 5.5484 5.5544 5.9729 5.9742 6.7183 6.7202 7.0096 7.0141 7.6399 7.6423 8.0326 8.0335 13.1214 13.1221 13.6446 13.6464 14.1406 14.1413 15.7905 15.7922 k = 0.7475-0.9386-1.7305 ( 3436 PWs) bands (ev): -2.8227 -2.8218 -2.7434 -2.7422 -1.6270 -1.6249 -1.5813 -1.5794 -0.6277 -0.6213 2.2256 2.2263 2.4606 2.4615 2.5621 2.5635 3.3352 3.3371 3.4082 3.4091 4.2468 4.2524 4.4951 4.4994 5.2196 5.2253 5.5578 5.5589 5.6350 5.6407 6.0555 6.0569 6.6925 6.6947 6.9679 6.9725 7.7022 7.7046 8.0856 8.0865 13.1670 13.1679 13.6945 13.6963 14.1711 14.1718 15.7546 15.7566 k = 0.7427-0.9190-1.6959 ( 3436 PWs) bands (ev): -2.9221 -2.9213 -2.8433 -2.8421 -1.6977 -1.6957 -1.6517 -1.6498 -0.6305 -0.6239 2.2931 2.2939 2.4760 2.4771 2.6176 2.6185 3.4301 3.4322 3.4921 3.4931 4.2150 4.2212 4.5917 4.5960 5.2876 5.2928 5.6419 5.6430 5.7211 5.7265 6.1366 6.1382 6.6689 6.6713 6.9286 6.9333 7.7645 7.7669 8.1378 8.1386 13.2178 13.2188 13.7454 13.7472 14.2027 14.2034 15.7161 15.7182 k = 0.7378-0.8994-1.6613 ( 3432 PWs) bands (ev): -3.0212 -3.0205 -2.9428 -2.9417 -1.7710 -1.7690 -1.7245 -1.7226 -0.6391 -0.6325 2.3632 2.3643 2.4891 2.4904 2.6838 2.6846 3.5285 3.5307 3.5799 3.5809 4.1813 4.1880 4.6910 4.6952 5.3653 5.3701 5.7254 5.7267 5.8066 5.8114 6.2144 6.2164 6.6491 6.6518 6.8938 6.8984 7.8263 7.8286 8.1889 8.1897 13.2736 13.2747 13.7968 13.7986 14.2351 14.2359 15.6761 15.6783 k = 0.7329-0.8798-1.6267 ( 3430 PWs) bands (ev): -3.1198 -3.1192 -3.0418 -3.0408 -1.8464 -1.8444 -1.7992 -1.7974 -0.6535 -0.6468 2.4276 2.4290 2.5109 2.5121 2.7566 2.7573 3.6301 3.6323 3.6701 3.6711 4.1509 4.1577 4.7919 4.7960 5.4501 5.4545 5.8057 5.8073 5.8917 5.8957 6.2863 6.2889 6.6354 6.6385 6.8666 6.8709 7.8875 7.8897 8.2389 8.2396 13.3341 13.3354 13.8486 13.8503 14.2682 14.2690 15.6357 15.6381 k = 0.7281-0.8602-1.5920 ( 3428 PWs) bands (ev): -3.2178 -3.2172 -3.1401 -3.1392 -1.9233 -1.9214 -1.8756 -1.8738 -0.6733 -0.6665 2.4647 2.4661 2.5634 2.5637 2.8342 2.8350 3.7347 3.7371 3.7606 3.7617 4.1285 4.1351 4.8940 4.8980 5.5400 5.5442 5.8784 5.8804 5.9778 5.9807 6.3480 6.3515 6.6304 6.6340 6.8518 6.8554 7.9477 7.9498 8.2876 8.2882 13.3990 13.4004 13.9002 13.9019 14.3019 14.3028 15.5958 15.5982 k = 0.7232-0.8406-1.5574 ( 3424 PWs) bands (ev): -3.3150 -3.3144 -3.2376 -3.2367 -2.0014 -1.9995 -1.9531 -1.9514 -0.6982 -0.6914 2.4770 2.4784 2.6420 2.6423 2.9156 2.9166 3.8414 3.8436 3.8479 3.8491 4.1211 4.1269 4.9966 5.0006 5.6337 5.6375 5.9388 5.9412 6.0664 6.0684 6.3943 6.3988 6.6375 6.6419 6.8549 6.8575 8.0068 8.0088 8.3349 8.3355 13.4681 13.4696 13.9514 13.9530 14.3361 14.3370 15.5570 15.5595 k = 0.7184-0.8210-1.5228 ( 3424 PWs) bands (ev): -3.4112 -3.4107 -3.3341 -3.3334 -2.0804 -2.0785 -2.0315 -2.0298 -0.7278 -0.7210 2.4796 2.4811 2.7302 2.7309 3.0002 3.0013 3.9181 3.9217 3.9531 3.9556 4.1398 4.1439 5.0994 5.1033 5.7296 5.7332 5.9840 5.9864 6.1581 6.1595 6.4207 6.4264 6.6601 6.6652 6.8805 6.8818 8.0646 8.0665 8.3806 8.3812 13.5410 13.5427 14.0017 14.0033 14.3707 14.3717 15.5197 15.5223 k = 0.7135-0.8014-1.4881 ( 3418 PWs) bands (ev): -3.5064 -3.5059 -3.4296 -3.4289 -2.1598 -2.1580 -2.1104 -2.1087 -0.7616 -0.7549 2.4758 2.4774 2.8235 2.8243 3.0874 3.0886 3.9674 3.9732 4.0660 4.0686 4.1949 4.1971 5.2016 5.2054 5.8262 5.8294 6.0142 6.0166 6.2523 6.2536 6.4282 6.4351 6.6995 6.7054 6.9276 6.9279 8.1210 8.1228 8.4248 8.4253 13.6174 13.6192 14.0509 14.0524 14.4056 14.4066 15.4845 15.4872 k = 0.7087-0.7818-1.4535 ( 3416 PWs) bands (ev): -3.6003 -3.6000 -3.5238 -3.5232 -2.2395 -2.2377 -2.1896 -2.1880 -0.7992 -0.7926 2.4658 2.4675 2.9200 2.9211 3.1765 3.1779 4.0012 4.0083 4.1815 4.1841 4.2799 4.2815 5.3025 5.3061 5.9187 5.9211 6.0353 6.0381 6.3478 6.3495 6.4235 6.4312 6.7548 6.7611 6.9910 6.9914 8.1759 8.1775 8.4672 8.4678 13.6969 13.6988 14.0987 14.1001 14.4407 14.4417 15.4516 15.4543 k = 0.7038-0.7622-1.4189 ( 3414 PWs) bands (ev): -3.6930 -3.6927 -3.6167 -3.6162 -2.3191 -2.3174 -2.2688 -2.2672 -0.8402 -0.8336 2.4493 2.4511 3.0190 3.0202 3.2670 3.2686 4.0338 4.0414 4.2993 4.3021 4.3815 4.3831 5.4010 5.4043 5.9842 5.9861 6.0723 6.0762 6.4090 6.4181 6.4483 6.4516 6.8227 6.8295 7.0651 7.0660 8.2291 8.2306 8.5079 8.5085 13.7791 13.7812 14.1449 14.1462 14.4759 14.4769 15.4212 15.4240 k = 0.6990-0.7426-1.3842 ( 3420 PWs) bands (ev): -3.7843 -3.7840 -3.7083 -3.7077 -2.3985 -2.3968 -2.3478 -2.3461 -0.8841 -0.8776 2.4262 2.4281 3.1196 3.1211 3.3584 3.3602 4.0731 4.0808 4.4195 4.4222 4.4918 4.4935 5.4954 5.4985 5.9998 6.0020 6.1515 6.1552 6.4021 6.4116 6.5461 6.5474 6.9001 6.9071 7.1461 7.1472 8.2805 8.2818 8.5467 8.5474 13.8638 13.8659 14.1894 14.1905 14.5111 14.5121 15.3935 15.3964 k = 0.6941-0.7230-1.3496 ( 3418 PWs) bands (ev): -3.8741 -3.8739 -3.7983 -3.7978 -2.4774 -2.4757 -2.4262 -2.4247 -0.9303 -0.9240 2.3968 2.3988 3.2214 3.2230 3.4500 3.4519 4.1218 4.1295 4.5417 4.5445 4.6075 4.6093 5.5836 5.5863 5.9977 6.0001 6.2394 6.2429 6.4044 6.4141 6.6451 6.6461 6.9843 6.9915 7.2312 7.2325 8.3301 8.3313 8.5837 8.5845 13.9503 13.9526 14.2322 14.2332 14.5462 14.5472 15.3688 15.3719 k = 0.6893-0.7034-1.3150 ( 3416 PWs) bands (ev): -3.9624 -3.9621 -3.8868 -3.8863 -2.5556 -2.5540 -2.5041 -2.5026 -0.9786 -0.9724 2.3615 2.3637 3.3235 3.3253 3.5411 3.5433 4.1807 4.1882 4.6658 4.6687 4.7272 4.7290 5.6622 5.6644 5.9936 5.9960 6.3091 6.3145 6.4360 6.4444 6.7442 6.7453 7.0732 7.0805 7.3185 7.3200 8.3778 8.3788 8.6188 8.6197 14.0384 14.0407 14.2733 14.2741 14.5812 14.5822 15.3473 15.3505 k = 0.6844-0.6838-1.2804 ( 3416 PWs) bands (ev): -4.0490 -4.0488 -3.9736 -3.9732 -2.6330 -2.6314 -2.5811 -2.5796 -1.0285 -1.0224 2.3211 2.3234 3.4252 3.4273 3.6309 3.6334 4.2494 4.2567 4.7918 4.7947 4.8498 4.8517 5.7268 5.7286 5.9935 5.9956 6.3496 6.3579 6.5097 6.5160 6.8433 6.8443 7.1653 7.1727 7.4070 7.4086 8.4236 8.4244 8.6520 8.6530 14.1273 14.1297 14.3129 14.3136 14.6160 14.6170 15.3291 15.3324 k = 0.6796-0.6642-1.2457 ( 3412 PWs) bands (ev): -4.1339 -4.1337 -4.0586 -4.0583 -2.7094 -2.7078 -2.6572 -2.6558 -1.0796 -1.0736 2.2764 2.2788 3.5259 3.5282 3.7187 3.7214 4.3273 4.3344 4.9195 4.9224 4.9751 4.9769 5.7733 5.7758 6.0008 6.0026 6.3852 6.3946 6.6045 6.6098 6.9420 6.9430 7.2595 7.2669 7.4959 7.4976 8.4674 8.4681 8.6834 8.6845 14.2167 14.2191 14.3512 14.3518 14.6508 14.6518 15.3145 15.3178 k = 0.6747-0.6446-1.2111 ( 3416 PWs) bands (ev): -4.2171 -4.2169 -4.1420 -4.1417 -2.7846 -2.7832 -2.7323 -2.7308 -1.1317 -1.1258 2.2282 2.2308 3.6245 3.6271 3.8034 3.8063 4.4136 4.4205 5.0487 5.0515 5.1025 5.1044 5.8023 5.8061 6.0160 6.0176 6.4320 6.4415 6.7058 6.7105 7.0401 7.0410 7.3549 7.3623 7.5845 7.5865 8.5094 8.5098 8.7129 8.7141 14.3053 14.3077 14.3890 14.3894 14.6856 14.6865 15.3035 15.3069 k = 0.6699-0.6250-1.1765 ( 3414 PWs) bands (ev): -4.2984 -4.2983 -4.2234 -4.2232 -2.8587 -2.8573 -2.8061 -2.8047 -1.1844 -1.1786 2.1773 2.1800 3.7202 3.7231 3.8840 3.8871 4.5075 4.5142 5.1791 5.1819 5.2318 5.2337 5.8199 5.8248 6.0365 6.0382 6.4931 6.5022 6.8091 6.8134 7.1372 7.1381 7.4509 7.4583 7.6725 7.6746 8.5494 8.5498 8.7406 8.7420 14.3900 14.3923 14.4293 14.4295 14.7206 14.7215 15.2966 15.3000 k = 0.6650-0.6054-1.1418 ( 3410 PWs) bands (ev): -4.3778 -4.3777 -4.3030 -4.3028 -2.9314 -2.9300 -2.8785 -2.8772 -1.2373 -1.2318 2.1244 2.1272 3.8119 3.8150 3.9595 3.9628 4.6082 4.6148 5.3107 5.3134 5.3628 5.3646 5.8334 5.8391 6.0605 6.0629 6.5666 6.5752 6.9129 6.9170 7.2332 7.2341 7.5470 7.5544 7.7594 7.7616 8.5876 8.5880 8.7665 8.7682 14.4502 14.4509 14.4920 14.4936 14.7561 14.7570 15.2938 15.2973 k = 0.6602-0.5858-1.1072 ( 3406 PWs) bands (ev): -4.4553 -4.4553 -4.3807 -4.3805 -3.0027 -3.0013 -2.9496 -2.9483 -1.2904 -1.2850 2.0702 2.0729 3.8984 3.9017 4.0287 4.0322 4.7151 4.7214 5.4430 5.4455 5.4951 5.4970 5.8487 5.8550 6.0888 6.0918 6.6492 6.6572 7.0164 7.0203 7.3278 7.3288 7.6428 7.6501 7.8447 7.8471 8.6241 8.6246 8.7909 8.7927 14.4887 14.4888 14.5741 14.5761 14.7923 14.7931 15.2956 15.2991 k = 0.6553-0.5662-1.0726 ( 3400 PWs) bands (ev): -4.5309 -4.5308 -4.4564 -4.4562 -3.0724 -3.0711 -3.0192 -3.0179 -1.3433 -1.3381 2.0151 2.0179 3.9785 3.9821 4.0908 4.0944 4.8274 4.8336 5.5755 5.5777 5.6286 5.6304 5.8697 5.8764 6.1231 6.1267 6.7377 6.7452 7.1192 7.1229 7.4208 7.4218 7.7379 7.7452 7.9282 7.9308 8.6590 8.6598 8.8138 8.8157 14.5241 14.5245 14.6563 14.6584 14.8293 14.8302 15.3023 15.3057 k = 0.6504-0.5466-1.0380 ( 3390 PWs) bands (ev): -4.6044 -4.6044 -4.5300 -4.5298 -3.1405 -3.1393 -3.0871 -3.0859 -1.3959 -1.3908 1.9596 1.9624 4.0512 4.0550 4.1450 4.1487 4.9447 4.9507 5.7073 5.7090 5.7625 5.7643 5.9003 5.9072 6.1651 6.1692 6.8298 6.8367 7.2209 7.2244 7.5119 7.5129 7.8319 7.8391 8.0095 8.0122 8.6927 8.6937 8.8353 8.8374 14.5593 14.5600 14.7357 14.7377 14.8675 14.8685 15.3142 15.3176 k = 0.6456-0.5270-1.0033 ( 3392 PWs) bands (ev): -4.6759 -4.6759 -4.6016 -4.6015 -3.2070 -3.2058 -3.1534 -3.1522 -1.4480 -1.4430 1.9041 1.9069 4.1154 4.1193 4.1909 4.1946 5.0663 5.0722 5.8342 5.8358 5.8943 5.8958 5.9485 5.9545 6.2163 6.2208 6.9236 6.9302 7.3212 7.3246 7.6009 7.6020 7.9245 7.9316 8.0882 8.0911 8.7253 8.7265 8.8555 8.8579 14.5950 14.5961 14.8110 14.8130 14.9070 14.9082 15.3318 15.3350 k = 0.6407-0.5074-0.9687 ( 3392 PWs) bands (ev): -4.7454 -4.7453 -4.6712 -4.6710 -3.2717 -3.2705 -3.2180 -3.2168 -1.4993 -1.4946 1.8489 1.8517 4.1704 4.1744 4.2283 4.2320 5.1920 5.1976 5.9384 5.9437 6.0079 6.0115 6.0469 6.0477 6.2779 6.2825 7.0182 7.0244 7.4199 7.4230 7.6876 7.6887 8.0155 8.0225 8.1639 8.1671 8.7571 8.7586 8.8749 8.8774 14.6318 14.6332 14.8814 14.8836 14.9479 14.9494 15.3553 15.3583 k = 0.6359-0.4878-0.9341 ( 3394 PWs) bands (ev): -4.8126 -4.8126 -4.7385 -4.7384 -3.3346 -3.3335 -3.2808 -3.2796 -1.5498 -1.5452 1.7943 1.7971 4.2159 4.2199 4.2574 4.2611 5.3210 5.3266 6.0139 6.0211 6.1265 6.1301 6.1785 6.1794 6.3507 6.3552 7.1124 7.1184 7.5166 7.5195 7.7716 7.7728 8.1045 8.1113 8.2364 8.2398 8.7886 8.7903 8.8934 8.8961 14.6700 14.6717 14.9460 14.9486 14.9906 14.9925 15.3849 15.3874 k = 0.6310-0.4682-0.8994 ( 3398 PWs) bands (ev): -4.8778 -4.8778 -4.8038 -4.8037 -3.3957 -3.3946 -3.3417 -3.3406 -1.5994 -1.5950 1.7405 1.7433 4.2518 4.2557 4.2789 4.2825 5.4532 5.4585 6.0874 6.0950 6.2528 6.2556 6.3140 6.3149 6.4352 6.4395 7.2058 7.2115 7.6111 7.6138 7.8529 7.8542 8.1911 8.1978 8.3053 8.3089 8.8200 8.8219 8.9115 8.9145 14.7101 14.7121 15.0042 15.0072 15.0358 15.0381 15.4201 15.4222 k = 0.6262-0.4486-0.8648 ( 3398 PWs) bands (ev): -4.9408 -4.9408 -4.8669 -4.8668 -3.4548 -3.4538 -3.4008 -3.3997 -1.6478 -1.6436 1.6878 1.6905 4.2783 4.2820 4.2937 4.2973 5.5879 5.5932 6.1683 6.1759 6.3780 6.3804 6.4499 6.4508 6.5322 6.5360 7.2978 7.3033 7.7032 7.7057 7.9311 7.9324 8.2750 8.2815 8.3703 8.3741 8.8517 8.8538 8.9295 8.9327 14.7523 14.7546 15.0559 15.0583 15.0846 15.0867 15.4602 15.4620 k = 0.6213-0.4290-0.8302 ( 3406 PWs) bands (ev): -5.0016 -5.0015 -4.9277 -4.9276 -3.5121 -3.5110 -3.4579 -3.4569 -1.6951 -1.6910 1.6362 1.6389 4.2942 4.2975 4.3045 4.3081 5.7249 5.7300 6.2577 6.2652 6.4996 6.5020 6.5853 6.5859 6.6413 6.6445 7.3880 7.3932 7.7925 7.7947 8.0060 8.0074 8.3556 8.3618 8.4316 8.4355 8.8839 8.8862 8.9477 8.9513 14.7970 14.7997 15.1024 15.1037 15.1357 15.1378 15.5041 15.5054 k = 0.6165-0.4094-0.7955 ( 3406 PWs) bands (ev): -5.0601 -5.0601 -4.9863 -4.9863 -3.5673 -3.5663 -3.5130 -3.5120 -1.7410 -1.7371 1.5860 1.5886 4.2993 4.3022 4.3135 4.3170 5.8638 5.8687 6.3552 6.3625 6.6180 6.6208 6.7195 6.7201 6.7606 6.7632 7.4760 7.4810 7.8788 7.8808 8.0774 8.0789 8.4319 8.4376 8.4896 8.4935 8.9166 8.9192 8.9669 8.9710 14.8445 14.8474 15.1454 15.1459 15.1873 15.1898 15.5503 15.5514 k = 0.6116-0.3898-0.7609 ( 3408 PWs) bands (ev): -5.1164 -5.1164 -5.0427 -5.0427 -3.6205 -3.6195 -3.5661 -3.5652 -1.7856 -1.7818 1.5372 1.5397 4.2977 4.3004 4.3184 4.3217 6.0041 6.0089 6.4598 6.4669 6.7350 6.7382 6.8521 6.8531 6.8869 6.8888 7.5617 7.5664 7.9618 7.9634 8.1451 8.1466 8.5019 8.5065 8.5466 8.5502 8.9491 8.9525 8.9880 8.9929 14.8948 14.8981 15.1855 15.1859 15.2393 15.2422 15.5966 15.5983 k = 0.6068-0.3702-0.7263 ( 3406 PWs) bands (ev): -5.1705 -5.1704 -5.0968 -5.0968 -3.6716 -3.6707 -3.6171 -3.6162 -1.8287 -1.8251 1.4900 1.4925 4.2917 4.2943 4.3186 4.3217 6.1455 6.1502 6.5705 6.5773 6.8522 6.8557 6.9834 6.9849 7.0165 7.0180 7.6447 7.6492 8.0411 8.0423 8.2090 8.2105 8.5622 8.5648 8.6061 8.6091 8.9802 8.9845 9.0130 9.0188 14.9482 14.9517 15.2229 15.2236 15.2917 15.2948 15.6289 15.6328 k = 0.6019-0.3506-0.6917 ( 3408 PWs) bands (ev): -5.2222 -5.2222 -5.1486 -5.1486 -3.7206 -3.7197 -3.6661 -3.6653 -1.8703 -1.8668 1.4445 1.4468 4.2827 4.2850 4.3148 4.3177 6.2876 6.2921 6.6861 6.6926 6.9706 6.9740 7.1133 7.1151 7.1469 7.1481 7.7248 7.7292 8.1162 8.1170 8.2689 8.2703 8.6118 8.6133 8.6678 8.6710 9.0089 9.0135 9.0439 9.0498 15.0045 15.0082 15.2572 15.2583 15.3444 15.3476 15.6538 15.6576 k = 0.5971-0.3310-0.6570 ( 3410 PWs) bands (ev): -5.2717 -5.2716 -5.1982 -5.1981 -3.7675 -3.7667 -3.7130 -3.7121 -1.9102 -1.9070 1.4007 1.4029 4.2712 4.2733 4.3078 4.3104 6.4300 6.4344 6.8056 6.8118 7.0900 7.0935 7.2415 7.2435 7.2764 7.2775 7.8021 7.8062 8.1866 8.1870 8.3249 8.3261 8.6546 8.6562 8.7289 8.7323 9.0364 9.0405 9.0795 9.0848 15.0637 15.0677 15.2876 15.2890 15.3970 15.4003 15.6783 15.6826 k = 0.5922-0.3114-0.6224 ( 3416 PWs) bands (ev): -5.3188 -5.3188 -5.2453 -5.2453 -3.8123 -3.8115 -3.7577 -3.7569 -1.9486 -1.9454 1.3587 1.3609 4.2579 4.2599 4.2982 4.3006 6.5723 6.5765 6.9279 6.9338 7.2104 7.2137 7.3674 7.3694 7.4040 7.4052 7.8762 7.8801 8.2515 8.2517 8.3769 8.3778 8.6941 8.6961 8.7873 8.7907 9.0645 9.0679 9.1173 9.1220 15.1257 15.1298 15.3129 15.3143 15.4490 15.4522 15.7025 15.7075 k = 0.5874-0.2918-0.5878 ( 3414 PWs) bands (ev): -5.3636 -5.3635 -5.2902 -5.2901 -3.8549 -3.8541 -3.8002 -3.7995 -1.9852 -1.9822 1.3186 1.3207 4.2434 4.2451 4.2867 4.2888 6.7139 6.7180 7.0520 7.0577 7.3310 7.3342 7.4902 7.4923 7.5288 7.5302 7.9473 7.9510 8.3101 8.3109 8.4251 8.4258 8.7325 8.7349 8.8420 8.8454 9.0941 9.0970 9.1556 9.1598 15.1899 15.1941 15.3313 15.3328 15.4989 15.5021 15.7264 15.7321 k = 0.5825-0.2722-0.5531 ( 3406 PWs) bands (ev): -5.4060 -5.4060 -5.3327 -5.3326 -3.8952 -3.8945 -3.8405 -3.8398 -2.0200 -2.0172 1.2804 1.2824 4.2280 4.2296 4.2738 4.2758 6.8545 6.8584 7.1772 7.1826 7.4512 7.4542 7.6092 7.6114 7.6501 7.6518 8.0153 8.0188 8.3621 8.3634 8.4699 8.4702 8.7713 8.7742 8.8930 8.8965 9.1257 9.1280 9.1935 9.1973 15.2558 15.2599 15.3415 15.3430 15.5447 15.5478 15.7508 15.7570 k = 0.5776-0.2526-0.5185 ( 3400 PWs) bands (ev): -5.4461 -5.4461 -5.3728 -5.3728 -3.9334 -3.9327 -3.8787 -3.8780 -2.0530 -2.0504 1.2442 1.2461 4.2122 4.2136 4.2601 4.2619 6.9935 6.9973 7.3024 7.3075 7.5702 7.5729 7.7236 7.7259 7.7672 7.7691 8.0803 8.0835 8.4072 8.4089 8.5113 8.5114 8.8118 8.8152 8.9405 8.9443 9.1590 9.1606 9.2304 9.2338 15.3216 15.3257 15.3426 15.3445 15.5825 15.5856 15.7784 15.7847 k = 0.5728-0.2330-0.4839 ( 3392 PWs) bands (ev): -5.4838 -5.4838 -5.4106 -5.4105 -3.9694 -3.9687 -3.9146 -3.9140 -2.0842 -2.0818 1.2101 1.2118 4.1962 4.1975 4.2458 4.2474 7.1305 7.1341 7.4268 7.4316 7.6869 7.6894 7.8327 7.8351 7.8792 7.8814 8.1422 8.1451 8.4457 8.4477 8.5494 8.5498 8.8550 8.8588 8.9853 8.9894 9.1932 9.1943 9.2657 9.2689 15.3325 15.3335 15.3881 15.3911 15.6084 15.6119 15.8132 15.8191 k = 0.5679-0.2134-0.4493 ( 3398 PWs) bands (ev): -5.5192 -5.5191 -5.4459 -5.4459 -4.0031 -4.0025 -3.9482 -3.9477 -2.1135 -2.1112 1.1780 1.1796 4.1803 4.1815 4.2314 4.2329 7.2646 7.2681 7.5494 7.5539 7.8003 7.8025 7.9355 7.9379 7.9855 7.9881 8.2011 8.2038 8.4783 8.4802 8.5847 8.5855 8.9012 8.9054 9.0280 9.0324 9.2276 9.2283 9.2991 9.3020 15.3134 15.3142 15.4474 15.4492 15.6222 15.6270 15.8575 15.8624 k = 0.5631-0.1938-0.4146 ( 3400 PWs) bands (ev): -5.5521 -5.5520 -5.4789 -5.4788 -4.0345 -4.0339 -3.9797 -3.9791 -2.1410 -2.1388 1.1479 1.1495 4.1648 4.1659 4.2171 4.2184 7.3955 7.3988 7.6694 7.6735 7.9089 7.9108 8.0313 8.0337 8.0857 8.0886 8.2570 8.2595 8.5058 8.5076 8.6178 8.6189 8.9504 8.9548 9.0694 9.0740 9.2612 9.2617 9.3303 9.3330 15.2849 15.2854 15.4902 15.4919 15.6333 15.6406 15.9101 15.9138 k = 0.5582-0.1742-0.3800 ( 3402 PWs) bands (ev): -5.5826 -5.5826 -5.5094 -5.5094 -4.0636 -4.0631 -4.0088 -4.0083 -2.1664 -2.1645 1.1201 1.1215 4.1499 4.1508 4.2031 4.2043 7.5223 7.5254 7.7854 7.7892 8.0110 8.0126 8.1194 8.1219 8.1795 8.1825 8.3100 8.3122 8.5294 8.5310 8.6495 8.6509 9.0022 9.0067 9.1102 9.1149 9.2935 9.2939 9.3590 9.3616 15.2480 15.2483 15.5012 15.5045 15.6579 15.6667 15.9682 15.9706 k = 0.5534-0.1546-0.3454 ( 3404 PWs) bands (ev): -5.6107 -5.6107 -5.5376 -5.5375 -4.0905 -4.0900 -4.0356 -4.0352 -2.1900 -2.1882 1.0943 1.0956 4.1356 4.1365 4.1897 4.1908 7.6444 7.6473 7.8964 7.8997 8.1048 8.1060 8.1994 8.2020 8.2667 8.2698 8.3600 8.3619 8.5503 8.5515 8.6806 8.6823 9.0558 9.0602 9.1508 9.1555 9.3237 9.3241 9.3852 9.3877 15.2041 15.2043 15.4833 15.4867 15.6950 15.7033 16.0289 16.0298 k = 0.5485-0.1350-0.3107 ( 3404 PWs) bands (ev): -5.6364 -5.6364 -5.5633 -5.5632 -4.1150 -4.1146 -4.0602 -4.0597 -2.2115 -2.2099 1.0707 1.0720 4.1222 4.1230 4.1771 4.1780 7.7608 7.7635 8.0007 8.0034 8.1888 8.1898 8.2708 8.2736 8.3460 8.3489 8.4084 8.4097 8.5698 8.5707 8.7118 8.7135 9.1101 9.1144 9.1914 9.1961 9.3514 9.3519 9.4086 9.4110 15.1548 15.1551 15.4485 15.4515 15.7294 15.7363 16.0885 16.0896 k = 0.5437-0.1154-0.2761 ( 3396 PWs) bands (ev): -5.6597 -5.6596 -5.5866 -5.5865 -4.1373 -4.1369 -4.0824 -4.0820 -2.2311 -2.2296 1.0494 1.0505 4.1098 4.1105 4.1652 4.1661 7.8709 7.8734 8.0960 8.0981 8.2633 8.2643 8.3330 8.3360 8.4107 8.4138 8.4604 8.4616 8.5899 8.5905 8.7431 8.7448 9.1641 9.1681 9.2322 9.2368 9.3763 9.3769 9.4292 9.4316 15.1019 15.1024 15.4048 15.4076 15.7509 15.7562 16.1444 16.1472 k = 0.5388-0.0958-0.2415 ( 3394 PWs) bands (ev): -5.6805 -5.6805 -5.6074 -5.6074 -4.1572 -4.1569 -4.1023 -4.1020 -2.2486 -2.2473 1.0302 1.0312 4.0985 4.0991 4.1544 4.1551 7.9736 7.9759 8.1794 8.1809 8.3308 8.3322 8.3849 8.3880 8.4546 8.4580 8.5189 8.5204 8.6143 8.6152 8.7739 8.7754 9.2164 9.2202 9.2730 9.2773 9.3983 9.3989 9.4471 9.4494 15.0475 15.0481 15.3568 15.3593 15.7561 15.7598 16.1987 16.2020 k = 0.5340-0.0762-0.2068 ( 3402 PWs) bands (ev): -5.6989 -5.6989 -5.6258 -5.6258 -4.1748 -4.1745 -4.1199 -4.1196 -2.2641 -2.2629 1.0133 1.0141 4.0883 4.0888 4.1446 4.1452 8.0681 8.0701 8.2481 8.2490 8.3950 8.3967 8.4259 8.4289 8.4860 8.4892 8.5688 8.5698 8.6508 8.6526 8.8032 8.8045 9.2657 9.2691 9.3130 9.3171 9.4171 9.4179 9.4622 9.4644 14.9934 14.9941 15.3076 15.3098 15.7468 15.7492 16.2533 16.2567 k = 0.5291-0.0566-0.1722 ( 3408 PWs) bands (ev): -5.7148 -5.7148 -5.6418 -5.6418 -4.1901 -4.1898 -4.1351 -4.1349 -2.2775 -2.2765 0.9986 0.9993 4.0794 4.0798 4.1360 4.1365 8.1533 8.1550 8.3011 8.3016 8.4553 8.4576 8.4583 8.4612 8.5102 8.5131 8.6011 8.6021 8.7018 8.7039 8.8299 8.8309 9.3107 9.3139 9.3514 9.3550 9.4331 9.4340 9.4747 9.4766 14.9417 14.9423 15.2597 15.2616 15.7277 15.7290 16.3064 16.3110 k = 0.5243-0.0370-0.1376 ( 3408 PWs) bands (ev): -5.7283 -5.7283 -5.6553 -5.6553 -4.2030 -4.2028 -4.1480 -4.1478 -2.2889 -2.2881 0.9861 0.9868 4.0717 4.0721 4.1286 4.1290 8.2282 8.2297 8.3405 8.3409 8.4779 8.4801 8.5167 8.5186 8.5290 8.5315 8.6238 8.6247 8.7562 8.7581 8.8529 8.8537 9.3505 9.3534 9.3864 9.3894 9.4468 9.4478 9.4845 9.4863 14.8942 14.8949 15.2153 15.2169 15.7036 15.7043 16.3476 16.3575 k = 0.5194-0.0174-0.1030 ( 3408 PWs) bands (ev): -5.7394 -5.7394 -5.6664 -5.6663 -4.2136 -4.2134 -4.1586 -4.1585 -2.2982 -2.2975 0.9760 0.9765 4.0654 4.0657 4.1225 4.1228 8.2917 8.2929 8.3694 8.3697 8.4929 8.4947 8.5424 8.5444 8.5695 8.5714 8.6419 8.6427 8.8056 8.8072 8.8719 8.8725 9.3845 9.3870 9.4154 9.4177 9.4594 9.4607 9.4919 9.4934 14.8528 14.8533 15.1763 15.1777 15.6788 15.6792 16.3570 16.3668 k = 0.5146 0.0022-0.0683 ( 3412 PWs) bands (ev): -5.7480 -5.7480 -5.6750 -5.6750 -4.2218 -4.2217 -4.1668 -4.1667 -2.3055 -2.3050 0.9681 0.9684 4.0605 4.0607 4.1177 4.1180 8.3427 8.3436 8.3904 8.3907 8.5030 8.5043 8.5521 8.5535 8.6128 8.6143 8.6565 8.6571 8.8462 8.8474 8.8868 8.8872 9.4121 9.4141 9.4357 9.4370 9.4726 9.4742 9.4972 9.4983 14.8188 14.8193 15.1443 15.1453 15.6566 15.6567 16.3486 16.3548 k = 0.5097 0.0218-0.0337 ( 3422 PWs) bands (ev): -5.7541 -5.7541 -5.6811 -5.6811 -4.2277 -4.2276 -4.1727 -4.1726 -2.3106 -2.3103 0.9624 0.9627 4.0569 4.0570 4.1143 4.1144 8.3794 8.3800 8.4056 8.4057 8.5094 8.5102 8.5584 8.5593 8.6443 8.6454 8.6680 8.6684 8.8756 8.8765 8.8981 8.8983 9.4324 9.4338 9.4475 9.4481 9.4853 9.4867 9.5008 9.5015 14.7937 14.7940 15.1206 15.1213 15.6392 15.6392 16.3382 16.3419 k = 0.5049 0.0414 0.0009 ( 3424 PWs) bands (ev): -5.7578 -5.7578 -5.6848 -5.6848 -4.2312 -4.2311 -4.1762 -4.1762 -2.3137 -2.3135 0.9591 0.9592 4.0548 4.0548 4.1122 4.1123 8.3999 8.4002 8.4167 8.4167 8.5129 8.5133 8.5619 8.5624 8.6618 8.6623 8.6771 8.6772 8.8919 8.8923 8.9068 8.9068 9.4439 9.4446 9.4546 9.4547 9.4933 9.4939 9.5041 9.5043 14.7783 14.7784 15.1060 15.1064 15.6281 15.6281 16.3310 16.3327 k = 0.5000 0.0610 0.0356 ( 3422 PWs) bands (ev): -5.7590 -5.7590 -5.6860 -5.6860 -4.2323 -4.2323 -4.1774 -4.1774 -2.3147 -2.3147 0.9580 0.9580 4.0541 4.0541 4.1116 4.1116 8.4057 8.4057 8.4216 8.4216 8.5141 8.5141 8.5632 8.5632 8.6668 8.6668 8.6812 8.6812 8.8965 8.8965 8.9106 8.9106 9.4474 9.4474 9.4576 9.4576 9.4955 9.4955 9.5059 9.5059 14.7731 14.7731 15.1012 15.1012 15.6243 15.6243 16.3290 16.3290 k = 0.5000 0.0610 0.0356 ( 3422 PWs) bands (ev): -5.7590 -5.7590 -5.6860 -5.6860 -4.2323 -4.2323 -4.1774 -4.1774 -2.3147 -2.3147 0.9580 0.9580 4.0541 4.0541 4.1116 4.1116 8.4057 8.4057 8.4216 8.4216 8.5141 8.5141 8.5632 8.5632 8.6668 8.6668 8.6812 8.6812 8.8965 8.8965 8.9106 8.9106 9.4474 9.4474 9.4576 9.4576 9.4955 9.4955 9.5059 9.5059 14.7731 14.7731 15.1012 15.1012 15.6243 15.6243 16.3290 16.3290 k = 0.4615 0.0563 0.0328 ( 3422 PWs) bands (ev): -5.7686 -5.7686 -5.6742 -5.6742 -4.2912 -4.2912 -4.1170 -4.1170 -2.3205 -2.3205 0.9657 0.9657 3.9070 3.9070 4.2601 4.2601 8.3958 8.3958 8.4062 8.4062 8.4220 8.4220 8.6647 8.6647 8.6753 8.6753 8.6791 8.6791 8.8993 8.8993 8.9134 8.9134 9.4398 9.4398 9.4502 9.4502 9.5019 9.5019 9.5122 9.5122 14.7736 14.7736 15.0994 15.0994 15.6271 15.6271 16.3224 16.3224 k = 0.4231 0.0516 0.0301 ( 3419 PWs) bands (ev): -5.7882 -5.7882 -5.6479 -5.6479 -4.3694 -4.3694 -4.0343 -4.0343 -2.3379 -2.3379 0.9888 0.9888 3.7362 3.7362 4.4352 4.4352 8.2506 8.2506 8.4075 8.4075 8.4233 8.4233 8.6586 8.6586 8.6731 8.6731 8.8018 8.8018 8.9074 8.9074 8.9214 8.9214 9.4233 9.4233 9.4338 9.4338 9.5152 9.5152 9.5253 9.5253 14.7752 14.7752 15.0942 15.0942 15.6353 15.6353 16.3029 16.3029 k = 0.3846 0.0469 0.0274 ( 3431 PWs) bands (ev): -5.8094 -5.8094 -5.6155 -5.6155 -4.4473 -4.4473 -3.9489 -3.9489 -2.3664 -2.3664 1.0267 1.0267 3.5665 3.5665 4.6121 4.6121 8.0997 8.0997 8.4098 8.4098 8.4255 8.4255 8.6493 8.6493 8.6639 8.6639 8.9199 8.9199 8.9215 8.9215 8.9339 8.9339 9.4032 9.4032 9.4139 9.4139 9.5297 9.5297 9.5396 9.5396 14.7778 14.7778 15.0858 15.0858 15.6484 15.6484 16.2724 16.2724 k = 0.3462 0.0422 0.0246 ( 3425 PWs) bands (ev): -5.8297 -5.8297 -5.5795 -5.5795 -4.5238 -4.5238 -3.8619 -3.8619 -2.4051 -2.4051 1.0787 1.0787 3.3986 3.3986 4.7902 4.7902 7.9440 7.9440 8.4128 8.4128 8.4286 8.4286 8.6379 8.6379 8.6525 8.6525 8.9361 8.9361 8.9499 8.9499 9.0330 9.0330 9.3814 9.3814 9.3923 9.3923 9.5438 9.5438 9.5537 9.5537 14.7814 14.7814 15.0750 15.0750 15.6659 15.6659 16.2335 16.2335 k = 0.3077 0.0375 0.0219 ( 3407 PWs) bands (ev): -5.8483 -5.8483 -5.5407 -5.5407 -4.5985 -4.5985 -3.7737 -3.7737 -2.4532 -2.4532 1.1438 1.1438 3.2327 3.2327 4.9692 4.9692 7.7844 7.7844 8.4167 8.4167 8.4324 8.4324 8.6250 8.6250 8.6398 8.6398 8.9550 8.9550 8.9687 8.9687 9.1356 9.1356 9.3584 9.3584 9.3695 9.3695 9.5570 9.5570 9.5667 9.5667 14.7858 14.7858 15.0625 15.0625 15.6868 15.6868 16.1900 16.1900 k = 0.2692 0.0328 0.0191 ( 3398 PWs) bands (ev): -5.8651 -5.8651 -5.4994 -5.4994 -4.6714 -4.6714 -3.6846 -3.6846 -2.5096 -2.5096 1.2209 1.2209 3.0692 3.0692 5.1489 5.1489 7.6211 7.6211 8.4213 8.4213 8.4370 8.4370 8.6115 8.6115 8.6264 8.6264 8.9760 8.9760 8.9895 8.9895 9.2285 9.2285 9.3346 9.3346 9.3458 9.3458 9.5690 9.5690 9.5785 9.5785 14.7910 14.7910 15.0488 15.0488 15.7104 15.7104 16.1451 16.1451 k = 0.2308 0.0281 0.0164 ( 3389 PWs) bands (ev): -5.8797 -5.8797 -5.4560 -5.4560 -4.7423 -4.7423 -3.5947 -3.5947 -2.5732 -2.5732 1.3089 1.3089 2.9083 2.9083 5.3289 5.3289 7.4547 7.4547 8.4265 8.4265 8.4422 8.4422 8.5980 8.5980 8.6129 8.6129 8.9984 8.9984 9.0118 9.0118 9.3097 9.3097 9.3113 9.3113 9.3214 9.3214 9.5796 9.5796 9.5890 9.5890 14.7968 14.7968 15.0348 15.0348 15.7357 15.7357 16.1017 16.1017 k = 0.1923 0.0235 0.0137 ( 3389 PWs) bands (ev): -5.8921 -5.8921 -5.4105 -5.4105 -4.8109 -4.8109 -3.5043 -3.5043 -2.6429 -2.6429 1.4068 1.4068 2.7502 2.7502 5.5093 5.5093 7.2856 7.2856 8.4322 8.4322 8.4478 8.4478 8.5848 8.5848 8.5999 8.5999 9.0220 9.0220 9.0352 9.0352 9.2849 9.2849 9.2965 9.2965 9.3821 9.3821 9.5887 9.5887 9.5980 9.5980 14.8029 14.8029 15.0210 15.0210 15.7616 15.7616 16.0620 16.0620 k = 0.1538 0.0188 0.0109 ( 3386 PWs) bands (ev): -5.9023 -5.9023 -5.3633 -5.3633 -4.8771 -4.8771 -3.4136 -3.4136 -2.7177 -2.7177 1.5136 1.5136 2.5953 2.5953 5.6897 5.6897 7.1141 7.1141 8.4381 8.4381 8.4537 8.4537 8.5725 8.5725 8.5877 8.5877 9.0464 9.0464 9.0594 9.0594 9.2595 9.2595 9.2713 9.2713 9.4413 9.4413 9.5962 9.5962 9.6054 9.6054 14.8091 14.8091 15.0082 15.0082 15.7869 15.7869 16.0280 16.0280 k = 0.1154 0.0141 0.0082 ( 3395 PWs) bands (ev): -5.9103 -5.9103 -5.3149 -5.3149 -4.9402 -4.9402 -3.3230 -3.3230 -2.7967 -2.7967 1.6282 1.6282 2.4439 2.4439 5.8699 5.8699 6.9406 6.9406 8.4438 8.4438 8.4594 8.4594 8.5617 8.5617 8.5769 8.5769 9.0712 9.0712 9.0841 9.0841 9.2340 9.2340 9.2459 9.2459 9.4880 9.4880 9.6022 9.6022 9.6112 9.6112 14.8148 14.8148 14.9970 14.9970 15.8099 15.8099 16.0009 16.0009 k = 0.0769 0.0094 0.0055 ( 3395 PWs) bands (ev): -5.9160 -5.9160 -5.2667 -5.2667 -4.9990 -4.9990 -3.2328 -3.2328 -2.8789 -2.8789 1.7498 1.7498 2.2964 2.2964 6.0497 6.0497 6.7656 6.7656 8.4488 8.4488 8.4643 8.4643 8.5530 8.5530 8.5683 8.5683 9.0960 9.0960 9.1086 9.1086 9.2087 9.2087 9.2208 9.2208 9.5216 9.5216 9.6065 9.6065 9.6154 9.6154 14.8195 14.8195 14.9883 14.9883 15.8285 15.8285 15.9819 15.9819 k = 0.0385 0.0047 0.0027 ( 3405 PWs) bands (ev): -5.9194 -5.9194 -5.2232 -5.2232 -5.0489 -5.0489 -3.1441 -3.1441 -2.9631 -2.9631 1.8770 1.8770 2.1537 2.1537 6.2282 6.2282 6.5900 6.5900 8.4524 8.4524 8.4678 8.4678 8.5472 8.5472 8.5625 8.5625 9.1193 9.1193 9.1317 9.1317 9.1851 9.1851 9.1975 9.1975 9.5419 9.5419 9.6092 9.6092 9.6179 9.6179 14.8228 14.8228 14.9826 14.9826 15.8406 15.8406 15.9710 15.9710 k = 0.0000 0.0000 0.0000 ( 3393 PWs) bands (ev): -5.9206 -5.9206 -5.2015 -5.2015 -5.0727 -5.0727 -3.0734 -3.0734 -3.0322 -3.0322 1.9902 1.9902 2.0355 2.0355 6.3805 6.3805 6.4386 6.4386 8.4537 8.4537 8.4691 8.4691 8.5451 8.5451 8.5605 8.5605 9.1326 9.1326 9.1449 9.1449 9.1718 9.1718 9.1843 9.1843 9.5486 9.5486 9.6101 9.6101 9.6188 9.6188 14.8239 14.8239 14.9806 14.9806 15.8448 15.8448 15.9676 15.9676 k = 0.0000 0.0000 0.0000 ( 3393 PWs) bands (ev): -5.9206 -5.9206 -5.2015 -5.2015 -5.0727 -5.0727 -3.0734 -3.0734 -3.0322 -3.0322 1.9902 1.9902 2.0355 2.0355 6.3805 6.3805 6.4386 6.4386 8.4537 8.4537 8.4691 8.4691 8.5451 8.5451 8.5605 8.5605 9.1326 9.1326 9.1449 9.1449 9.1718 9.1718 9.1843 9.1843 9.5486 9.5486 9.6101 9.6101 9.6188 9.6188 14.8239 14.8239 14.9806 14.9806 15.8448 15.8448 15.9676 15.9676 k = 0.0049-0.0196-0.0346 ( 3405 PWs) bands (ev): -5.9193 -5.9193 -5.2003 -5.2003 -5.0715 -5.0715 -3.0723 -3.0722 -3.0312 -3.0311 1.9911 1.9912 2.0365 2.0365 6.3805 6.3807 6.4386 6.4388 8.4480 8.4484 8.4644 8.4644 8.5398 8.5402 8.5561 8.5562 9.1275 9.1280 9.1397 9.1398 9.1698 9.1704 9.1823 9.1824 9.5474 9.5479 9.6066 9.6072 9.6165 9.6166 14.8290 14.8292 14.9856 14.9857 15.8483 15.8489 15.9704 15.9707 k = 0.0097-0.0392-0.0693 ( 3393 PWs) bands (ev): -5.9156 -5.9156 -5.1967 -5.1967 -5.0678 -5.0678 -3.0690 -3.0688 -3.0278 -3.0277 1.9942 1.9942 2.0395 2.0395 6.3806 6.3811 6.4388 6.4393 8.4281 8.4289 8.4536 8.4538 8.5211 8.5220 8.5462 8.5466 9.1109 9.1120 9.1267 9.1271 9.1620 9.1631 9.1788 9.1791 9.5440 9.5453 9.5934 9.5949 9.6134 9.6136 14.8443 14.8447 15.0004 15.0007 15.8594 15.8606 15.9788 15.9794 k = 0.0146-0.0588-0.1039 ( 3389 PWs) bands (ev): -5.9094 -5.9094 -5.1907 -5.1906 -5.0617 -5.0617 -3.0635 -3.0632 -3.0223 -3.0220 1.9992 1.9993 2.0445 2.0446 6.3809 6.3816 6.4392 6.4399 8.3922 8.3933 8.4392 8.4393 8.4872 8.4885 8.5333 8.5339 9.0827 9.0842 9.1057 9.1066 9.1487 9.1500 9.1739 9.1744 9.5374 9.5407 9.5700 9.5736 9.6100 9.6102 14.8692 14.8698 15.0244 15.0249 15.8769 15.8787 15.9925 15.9934 k = 0.0194-0.0784-0.1386 ( 3383 PWs) bands (ev): -5.9008 -5.9008 -5.1822 -5.1821 -5.0532 -5.0532 -3.0557 -3.0553 -3.0145 -3.0142 2.0062 2.0063 2.0515 2.0516 6.3812 6.3821 6.4396 6.4406 8.3419 8.3433 8.4187 8.4189 8.4409 8.4425 8.5164 8.5172 9.0447 9.0465 9.0745 9.0760 9.1321 9.1334 9.1662 9.1667 9.5228 9.5320 9.5404 9.5500 9.6053 9.6055 14.9029 14.9037 15.0568 15.0574 15.8992 15.9016 16.0107 16.0120 k = 0.0243-0.0980-0.1732 ( 3389 PWs) bands (ev): -5.8897 -5.8897 -5.1713 -5.1712 -5.0423 -5.0422 -3.0458 -3.0453 -3.0045 -3.0041 2.0152 2.0154 2.0605 2.0607 6.3814 6.3826 6.4401 6.4412 8.2787 8.2805 8.3747 8.3764 8.4003 8.4007 8.4947 8.4958 8.9979 9.0002 9.0339 9.0360 9.1117 9.1131 9.1547 9.1552 9.4911 9.4972 9.5280 9.5346 9.5985 9.5987 14.9441 14.9451 15.0961 15.0968 15.9236 15.9266 16.0325 16.0343 k = 0.0291-0.1176-0.2079 ( 3391 PWs) bands (ev): -5.8761 -5.8761 -5.1580 -5.1579 -5.0290 -5.0289 -3.0336 -3.0330 -2.9923 -2.9918 2.0262 2.0264 2.0715 2.0717 6.3814 6.3828 6.4404 6.4418 8.2040 8.2060 8.3044 8.3067 8.3688 8.3691 8.4678 8.4691 8.9434 8.9460 8.9856 8.9883 9.0857 9.0871 9.1390 9.1395 9.4485 9.4527 9.5184 9.5232 9.5894 9.5896 14.9913 14.9924 15.1409 15.1416 15.9460 15.9497 16.0562 16.0588 k = 0.0340-0.1373-0.2425 ( 3395 PWs) bands (ev): -5.8601 -5.8601 -5.1423 -5.1422 -5.0132 -5.0131 -3.0192 -3.0185 -2.9779 -2.9773 2.0391 2.0394 2.0844 2.0847 6.3810 6.3827 6.4403 6.4420 8.1189 8.1211 8.2227 8.2253 8.3324 8.3327 8.4354 8.4370 8.8821 8.8850 8.9315 8.9347 9.0519 9.0535 9.1189 9.1194 9.4016 9.4049 9.5074 9.5115 9.5776 9.5779 15.0428 15.0439 15.1892 15.1899 15.9605 15.9649 16.0771 16.0817 k = 0.0388-0.1569-0.2771 ( 3399 PWs) bands (ev): -5.8416 -5.8416 -5.1242 -5.1241 -4.9950 -4.9949 -3.0026 -3.0018 -2.9613 -2.9606 2.0540 2.0543 2.0993 2.0996 6.3799 6.3819 6.4397 6.4416 8.0245 8.0270 8.1316 8.1345 8.2896 8.2900 8.3971 8.3989 8.8147 8.8180 8.8732 8.8769 9.0086 9.0102 9.0945 9.0949 9.3533 9.3561 9.4948 9.4985 9.5634 9.5635 15.0967 15.0978 15.2389 15.2395 15.9590 15.9635 16.0705 16.0803 k = 0.0437-0.1765-0.3118 ( 3397 PWs) bands (ev): -5.8206 -5.8206 -5.1037 -5.1036 -4.9744 -4.9743 -2.9838 -2.9830 -2.9425 -2.9417 2.0708 2.0711 2.1161 2.1164 6.3780 6.3802 6.4382 6.4404 7.9220 7.9248 8.0322 8.0356 8.2400 8.2405 8.3526 8.3545 8.7423 8.7458 8.8122 8.8163 8.9543 8.9560 9.0659 9.0662 9.3059 9.3082 9.4802 9.4838 9.5467 9.5468 15.1508 15.1520 15.2875 15.2883 15.9332 15.9359 16.0397 16.0491 k = 0.0485-0.1961-0.3464 ( 3401 PWs) bands (ev): -5.7972 -5.7972 -5.0808 -5.0807 -4.9514 -4.9513 -2.9629 -2.9619 -2.9215 -2.9206 2.0895 2.0898 2.1348 2.1351 6.3747 6.3772 6.4355 6.4380 7.8123 7.8153 7.9258 7.9294 8.1835 8.1842 8.3014 8.3035 8.6655 8.6692 8.7497 8.7541 8.8889 8.8908 9.0330 9.0334 9.2602 9.2622 9.4633 9.4668 9.5281 9.5283 15.2033 15.2044 15.3328 15.3339 15.8839 15.8842 16.0061 16.0138 k = 0.0534-0.2157-0.3811 ( 3401 PWs) bands (ev): -5.7714 -5.7714 -5.0555 -5.0554 -4.9260 -4.9258 -2.9398 -2.9387 -2.8984 -2.8973 2.1100 2.1104 2.1553 2.1557 6.3696 6.3725 6.4311 6.4339 7.6965 7.6997 7.8131 7.8170 8.1204 8.1214 8.2435 8.2457 8.5851 8.5889 8.6865 8.6913 8.8138 8.8160 8.9960 8.9967 9.2162 9.2179 9.4433 9.4465 9.5084 9.5087 15.2517 15.2530 15.3719 15.3737 15.8186 15.8207 15.9679 15.9748 k = 0.0583-0.2353-0.4157 ( 3401 PWs) bands (ev): -5.7431 -5.7431 -5.0279 -5.0277 -4.8982 -4.8980 -2.9145 -2.9133 -2.8731 -2.8719 2.1324 2.1328 2.1776 2.1780 6.3623 6.3655 6.4245 6.4276 7.5753 7.5788 7.6951 7.6993 8.0513 8.0525 8.1790 8.1812 8.5012 8.5051 8.6232 8.6283 8.7313 8.7339 8.9550 8.9559 9.1732 9.1745 9.4193 9.4223 9.4883 9.4889 15.2939 15.2954 15.4024 15.4050 15.7477 15.7509 15.9253 15.9322 k = 0.0631-0.2549-0.4504 ( 3397 PWs) bands (ev): -5.7124 -5.7124 -4.9979 -4.9977 -4.8681 -4.8679 -2.8871 -2.8858 -2.8456 -2.8444 2.1564 2.1569 2.2017 2.2021 6.3520 6.3555 6.4150 6.4185 7.4498 7.4535 7.5727 7.5772 7.9771 7.9786 8.1084 8.1107 8.4135 8.4173 8.5598 8.5652 8.6441 8.6472 8.9100 8.9112 9.1300 9.1312 9.3906 9.3933 9.4685 9.4695 15.3271 15.3291 15.4215 15.4251 15.6764 15.6803 15.8815 15.8886 k = 0.0680-0.2745-0.4850 ( 3404 PWs) bands (ev): -5.6793 -5.6792 -4.9655 -4.9653 -4.8355 -4.8353 -2.8576 -2.8562 -2.8161 -2.8147 2.1822 2.1827 2.2274 2.2278 6.3379 6.3417 6.4019 6.4057 7.3207 7.3246 7.4468 7.4515 7.8992 7.9010 8.0326 8.0351 8.3210 8.3247 8.4962 8.5020 8.5551 8.5588 8.8611 8.8625 9.0859 9.0870 9.3572 9.3595 9.4493 9.4505 15.3478 15.3504 15.4265 15.4308 15.6099 15.6143 15.8394 15.8466 k = 0.0728-0.2941-0.5196 ( 3408 PWs) bands (ev): -5.6437 -5.6437 -4.9308 -4.9305 -4.8006 -4.8004 -2.8260 -2.8246 -2.7844 -2.7830 2.2097 2.2101 2.2548 2.2552 6.3191 6.3232 6.3841 6.3882 7.1888 7.1928 7.3180 7.3229 7.8191 7.8212 7.9531 7.9557 8.2227 8.2263 8.4322 8.4383 8.4667 8.4712 8.8082 8.8100 9.0403 9.0413 9.3191 9.3212 9.4302 9.4317 15.3514 15.3547 15.4131 15.4177 15.5565 15.5612 15.8006 15.8077 k = 0.0777-0.3137-0.5543 ( 3408 PWs) bands (ev): -5.6058 -5.6058 -4.8937 -4.8934 -4.7634 -4.7631 -2.7923 -2.7908 -2.7507 -2.7492 2.2387 2.2392 2.2838 2.2842 6.2946 6.2990 6.3605 6.3649 7.0549 7.0591 7.1873 7.1924 7.7386 7.7410 7.8713 7.8741 8.1182 8.1219 8.3666 8.3727 8.3812 8.3869 8.7517 8.7537 8.9927 8.9937 9.2768 9.2787 9.4110 9.4127 15.3343 15.3386 15.3772 15.3821 15.5253 15.5300 15.7644 15.7708 k = 0.0825-0.3333-0.5889 ( 3406 PWs) bands (ev): -5.5654 -5.5654 -4.8543 -4.8540 -4.7238 -4.7235 -2.7566 -2.7550 -2.7149 -2.7133 2.2692 2.2697 2.3142 2.3146 6.2631 6.2677 6.3299 6.3345 6.9197 6.9241 7.0552 7.0606 7.6594 7.6620 7.7887 7.7916 8.0081 8.0118 8.2934 8.2958 8.3076 8.3128 8.6916 8.6939 8.9428 8.9438 9.2305 9.2322 9.3914 9.3932 15.2965 15.3019 15.3274 15.3325 15.5111 15.5151 15.7280 15.7336 k = 0.0874-0.3529-0.6236 ( 3400 PWs) bands (ev): -5.5227 -5.5227 -4.8126 -4.8123 -4.6818 -4.6816 -2.7189 -2.7172 -2.6771 -2.6754 2.3011 2.3016 2.3460 2.3464 6.2235 6.2283 6.2910 6.2957 6.7840 6.7886 6.9227 6.9282 7.5831 7.5858 7.7063 7.7091 7.8940 7.8980 8.2121 8.2157 8.2402 8.2462 8.6282 8.6307 8.8904 8.8913 9.1804 9.1820 9.3710 9.3729 15.2427 15.2477 15.2764 15.2805 15.5013 15.5046 15.6886 15.6932 k = 0.0922-0.3725-0.6582 ( 3400 PWs) bands (ev): -5.4776 -5.4776 -4.7686 -4.7683 -4.6376 -4.6373 -2.6792 -2.6773 -2.6374 -2.6356 2.3343 2.3348 2.3790 2.3794 6.1746 6.1795 6.2423 6.2471 6.6489 6.6536 6.7903 6.7960 7.5109 7.5135 7.6234 7.6259 7.7793 7.7837 8.1313 8.1357 8.1732 8.1797 8.5617 8.5644 8.8353 8.8363 9.1268 9.1283 9.3495 9.3515 15.1823 15.1868 15.2240 15.2270 15.4888 15.4914 15.6445 15.6482 k = 0.0971-0.3921-0.6929 ( 3400 PWs) bands (ev): -5.4302 -5.4302 -4.7223 -4.7220 -4.5911 -4.5908 -2.6375 -2.6356 -2.5957 -2.5937 2.3686 2.3691 2.4131 2.4135 6.1154 6.1203 6.1826 6.1873 6.5152 6.5201 6.6587 6.6646 7.4433 7.4457 7.5365 7.5385 7.6701 7.6750 8.0513 8.0561 8.1059 8.1127 8.4924 8.4954 8.7775 8.7785 9.0699 9.0712 9.3269 9.3289 15.1213 15.1255 15.1692 15.1715 15.4701 15.4722 15.5956 15.5986 k = 0.1020-0.4118-0.7275 ( 3400 PWs) bands (ev): -5.3804 -5.3804 -4.6738 -4.6735 -4.5423 -4.5420 -2.5940 -2.5919 -2.5520 -2.5500 2.4040 2.4044 2.4483 2.4486 6.0455 6.0502 6.1109 6.1152 6.3841 6.3891 6.5286 6.5346 7.3789 7.3809 7.4399 7.4411 7.5755 7.5806 7.9720 7.9770 8.0384 8.0455 8.4207 8.4239 8.7169 8.7180 9.0097 9.0109 9.3029 9.3050 15.0620 15.0659 15.1129 15.1147 15.4432 15.4451 15.5437 15.5462 k = 0.1068-0.4314-0.7621 ( 3402 PWs) bands (ev): -5.3283 -5.3283 -4.6230 -4.6227 -4.4912 -4.4909 -2.5486 -2.5464 -2.5065 -2.5044 2.4402 2.4406 2.4841 2.4845 5.9648 5.9692 6.0265 6.0304 6.2568 6.2618 6.4005 6.4064 7.3017 7.3039 7.3445 7.3469 7.4994 7.5042 7.8937 7.8988 7.9710 7.9783 8.3471 8.3506 8.6535 8.6547 8.9464 8.9475 9.2774 9.2796 15.0052 15.0089 15.0561 15.0575 15.4066 15.4083 15.4915 15.4936 k = 0.1117-0.4510-0.7968 ( 3408 PWs) bands (ev): -5.2739 -5.2738 -4.5701 -4.5697 -4.4379 -4.4376 -2.5013 -2.4991 -2.4592 -2.4570 2.4771 2.4774 2.5206 2.5209 5.8738 5.8778 5.9298 5.9333 6.1338 6.1388 6.2745 6.2804 7.1863 7.1877 7.2819 7.2838 7.4365 7.4410 7.8170 7.8222 7.9042 7.9117 8.2722 8.2760 8.5874 8.5887 8.8802 8.8812 9.2503 9.2525 14.9511 14.9546 14.9993 15.0005 15.3595 15.3612 15.4414 15.4430 k = 0.1165-0.4706-0.8314 ( 3406 PWs) bands (ev): -5.2172 -5.2171 -4.5149 -4.5145 -4.3824 -4.3821 -2.4523 -2.4499 -2.4101 -2.4078 2.5143 2.5147 2.5574 2.5576 5.7737 5.7771 5.8225 5.8258 6.0147 6.0196 6.1508 6.1566 7.0571 7.0582 7.2288 7.2305 7.3805 7.3847 7.7435 7.7484 7.8387 7.8463 8.1968 8.2009 8.5187 8.5200 8.8112 8.8121 9.2214 9.2237 14.8997 14.9029 14.9430 14.9443 15.3042 15.3059 15.3931 15.3945 k = 0.1214-0.4902-0.8661 ( 3410 PWs) bands (ev): -5.1582 -5.1581 -4.4575 -4.4572 -4.3247 -4.3244 -2.4015 -2.3991 -2.3593 -2.3568 2.5517 2.5520 2.5942 2.5944 5.6658 5.6686 5.7077 5.7110 5.8982 5.9030 6.0292 6.0349 6.9234 6.9246 7.1765 7.1784 7.3264 7.3306 7.6750 7.6796 7.7750 7.7823 8.1222 8.1267 8.4474 8.4488 8.7396 8.7405 9.1907 9.1930 14.8503 14.8530 14.8877 14.8895 15.2445 15.2461 15.3447 15.3459 k = 0.1262-0.5098-0.9007 ( 3406 PWs) bands (ev): -5.0970 -5.0969 -4.3980 -4.3977 -4.2649 -4.2645 -2.3492 -2.3466 -2.3068 -2.3043 2.5890 2.5892 2.6307 2.6308 5.5518 5.5540 5.5886 5.5920 5.7830 5.7876 5.9095 5.9150 6.7877 6.7890 7.1218 7.1243 7.2695 7.2742 7.6139 7.6181 7.7132 7.7201 8.0498 8.0547 8.3737 8.3752 8.6656 8.6664 9.1581 9.1604 14.8010 14.8030 14.8353 14.8375 15.1837 15.1851 15.2950 15.2961 k = 0.1311-0.5294-0.9354 ( 3398 PWs) bands (ev): -5.0335 -5.0334 -4.3364 -4.3361 -4.2029 -4.2025 -2.2952 -2.2925 -2.2527 -2.2501 2.6257 2.6258 2.6664 2.6664 5.4336 5.4351 5.4677 5.4711 5.6683 5.6727 5.7915 5.7969 6.6510 6.6523 7.0628 7.0657 7.2063 7.2116 7.5616 7.5652 7.6534 7.6597 7.9818 7.9872 8.2977 8.2993 8.5894 8.5903 9.1235 9.1259 14.7489 14.7498 14.7885 14.7908 15.1237 15.1249 15.2433 15.2444 k = 0.1359-0.5490-0.9700 ( 3392 PWs) bands (ev): -4.9679 -4.9678 -4.2728 -4.2724 -4.1388 -4.1384 -2.2397 -2.2369 -2.1971 -2.1944 2.6613 2.6615 2.7008 2.7009 5.3126 5.3137 5.3464 5.3499 5.5540 5.5584 5.6754 5.6808 6.5140 6.5154 6.9980 7.0014 7.1348 7.1408 7.5164 7.5191 7.5964 7.6020 7.9205 7.9264 8.2196 8.2213 8.5114 8.5122 9.0869 9.0893 14.6924 14.6932 14.7478 14.7500 15.0659 15.0670 15.1898 15.1908 k = 0.1408-0.5686-1.0046 ( 3402 PWs) bands (ev): -4.9000 -4.8999 -4.2070 -4.2067 -4.0726 -4.0722 -2.1828 -2.1799 -2.1401 -2.1373 2.6955 2.6957 2.7334 2.7336 5.1901 5.1910 5.2259 5.2295 5.4407 5.4451 5.5616 5.5670 6.3771 6.3784 6.9268 6.9305 7.0552 7.0617 7.4699 7.4719 7.5470 7.5525 7.8679 7.8744 8.1396 8.1414 8.4318 8.4327 9.0481 9.0506 14.6324 14.6338 14.7119 14.7139 15.0110 15.0120 15.1346 15.1356 k = 0.1456-0.5882-1.0393 ( 3398 PWs) bands (ev): -4.8301 -4.8299 -4.1393 -4.1389 -4.0044 -4.0040 -2.1246 -2.1216 -2.0818 -2.0788 2.7275 2.7278 2.7636 2.7639 5.0670 5.0678 5.1070 5.1109 5.3292 5.3338 5.4508 5.4563 6.2406 6.2420 6.8493 6.8531 6.9687 6.9755 7.4107 7.4120 7.5132 7.5184 7.8254 7.8323 8.0581 8.0600 8.3511 8.3522 9.0072 9.0097 14.5705 14.5724 14.6796 14.6815 14.9592 14.9602 15.0781 15.0791 k = 0.1505-0.6078-1.0739 ( 3398 PWs) bands (ev): -4.7579 -4.7578 -4.0696 -4.0692 -3.9342 -3.9338 -2.0651 -2.0620 -2.0222 -2.0191 2.7568 2.7572 2.7905 2.7909 4.9435 4.9444 4.9904 4.9944 5.2206 5.2254 5.3439 5.3497 6.1049 6.1062 6.7657 6.7696 6.8768 6.8838 7.3376 7.3383 7.4933 7.4979 7.7922 7.7992 7.9755 7.9775 8.2701 8.2714 8.9642 8.9667 14.5073 14.5095 14.6504 14.6521 14.9104 14.9113 15.0207 15.0215 k = 0.1554-0.6274-1.1086 ( 3400 PWs) bands (ev): -4.6838 -4.6836 -3.9980 -3.9976 -3.8620 -3.8616 -2.0045 -2.0014 -1.9615 -1.9584 2.7825 2.7831 2.8133 2.8139 4.8201 4.8211 4.8763 4.8804 5.1164 5.1216 5.2423 5.2483 5.9701 5.9714 6.6768 6.6808 6.7808 6.7880 7.2548 7.2559 7.4806 7.4845 7.7660 7.7730 7.8925 7.8946 8.1898 8.1914 8.9190 8.9215 14.4435 14.4458 14.6238 14.6253 14.8638 14.8646 14.9627 14.9635 k = 0.1602-0.6470-1.1432 ( 3404 PWs) bands (ev): -4.6075 -4.6073 -3.9245 -3.9241 -3.7879 -3.7876 -1.9430 -1.9397 -1.8999 -1.8966 2.8039 2.8046 2.8312 2.8319 4.6969 4.6980 4.7645 4.7686 5.0182 5.0238 5.1472 5.1535 5.8367 5.8379 6.5833 6.5873 6.6819 6.6891 7.1657 7.1674 7.4706 7.4739 7.7431 7.7499 7.8106 7.8128 8.1120 8.1142 8.8716 8.8742 14.3797 14.3821 14.5995 14.6008 14.8184 14.8190 14.9050 14.9057 k = 0.1651-0.6666-1.1779 ( 3408 PWs) bands (ev): -4.5292 -4.5290 -3.8492 -3.8488 -3.7120 -3.7117 -1.8806 -1.8772 -1.8373 -1.8340 2.8200 2.8208 2.8432 2.8440 4.5740 4.5751 4.6544 4.6583 4.9280 4.9341 5.0602 5.0668 5.7047 5.7059 6.4860 6.4899 6.5808 6.5880 7.0723 7.0745 7.4595 7.4622 7.7122 7.7198 7.7379 7.7403 8.0399 8.0428 8.8221 8.8247 14.3167 14.3191 14.5771 14.5782 14.7726 14.7730 14.8487 14.8494 k = 0.1699-0.6863-1.2125 ( 3414 PWs) bands (ev): -4.4490 -4.4487 -3.7721 -3.7717 -3.6343 -3.6339 -1.8176 -1.8141 -1.7742 -1.7707 2.8299 2.8309 2.8484 2.8493 4.4515 4.4527 4.5450 4.5487 4.8479 4.8544 4.9826 4.9894 5.5745 5.5757 6.3856 6.3893 6.4780 6.4851 6.9758 6.9785 7.4418 7.4440 7.6503 7.6555 7.6984 7.6994 7.9783 7.9823 8.7706 8.7732 14.2551 14.2574 14.5564 14.5573 14.7239 14.7245 14.7955 14.7964 k = 0.1748-0.7059-1.2471 ( 3408 PWs) bands (ev): -4.3668 -4.3665 -3.6934 -3.6929 -3.5548 -3.5545 -1.7540 -1.7504 -1.7105 -1.7068 2.8328 2.8340 2.8463 2.8473 4.3297 4.3309 4.4358 4.4392 4.7794 4.7862 4.9155 4.9224 5.4466 5.4477 6.2826 6.2863 6.3742 6.3812 6.8772 6.8802 7.4086 7.4108 7.5923 7.5979 7.6546 7.6549 7.9330 7.9380 8.7170 8.7197 14.1955 14.1977 14.5371 14.5378 14.6708 14.6718 14.7468 14.7479 k = 0.1796-0.7255-1.2818 ( 3412 PWs) bands (ev): -4.2828 -4.2824 -3.6130 -3.6125 -3.4737 -3.4734 -1.6902 -1.6864 -1.6465 -1.6427 2.8272 2.8287 2.8370 2.8382 4.2087 4.2098 4.3261 4.3292 4.7236 4.7307 4.8596 4.8667 5.3213 5.3224 6.1777 6.1812 6.2697 6.2765 6.7771 6.7803 7.3530 7.3553 7.5518 7.5590 7.5966 7.5993 7.9058 7.9115 8.6616 8.6642 14.1384 14.1405 14.5186 14.5191 14.6135 14.6147 14.7026 14.7038 k = 0.1845-0.7451-1.3164 ( 3412 PWs) bands (ev): -4.1969 -4.1965 -3.5310 -3.5306 -3.3910 -3.3906 -1.6262 -1.6224 -1.5824 -1.5785 2.8117 2.8130 2.8221 2.8231 4.0886 4.0897 4.2159 4.2188 4.6806 4.6878 4.8151 4.8222 5.1996 5.2007 6.0713 6.0747 6.1649 6.1717 6.6761 6.6796 7.2795 7.2819 7.5060 7.5117 7.5506 7.5530 7.8931 7.8990 8.6042 8.6069 14.0845 14.0863 14.4999 14.5003 14.5535 14.5547 14.6618 14.6630 k = 0.1893-0.7647-1.3511 ( 3412 PWs) bands (ev): -4.1092 -4.1088 -3.4476 -3.4471 -3.3067 -3.3064 -1.5625 -1.5586 -1.5185 -1.5145 2.7862 2.7873 2.8017 2.8024 3.9696 3.9707 4.1056 4.1083 4.6491 4.6563 4.7815 4.7884 5.0832 5.0843 5.9638 5.9672 6.0604 6.0671 6.5748 6.5785 7.1965 7.1988 7.4308 7.4334 7.5355 7.5359 7.8897 7.8956 8.5451 8.5478 14.0340 14.0356 14.4764 14.4769 14.4955 14.4966 14.6238 14.6251 k = 0.1942-0.7843-1.3857 ( 3416 PWs) bands (ev): -4.0199 -4.0194 -3.3628 -3.3623 -3.2211 -3.2207 -1.4992 -1.4952 -1.4550 -1.4509 2.7527 2.7535 2.7748 2.7753 3.8520 3.8531 3.9955 3.9980 4.6260 4.6329 4.7568 4.7635 4.9758 4.9772 5.8556 5.8590 5.9565 5.9632 6.4736 6.4774 7.1088 7.1111 7.3455 7.3470 7.5265 7.5271 7.8918 7.8975 8.4844 8.4871 13.9874 13.9888 14.4234 14.4244 14.4630 14.4639 14.5893 14.5907 k = 0.1991-0.8039-1.4204 ( 3420 PWs) bands (ev): -3.9289 -3.9284 -3.2767 -3.2762 -3.1341 -3.1338 -1.4367 -1.4326 -1.3923 -1.3881 2.7127 2.7133 2.7417 2.7420 3.7360 3.7370 3.8860 3.8883 4.6034 4.6096 4.7376 4.7437 4.8865 4.8887 5.7472 5.7505 5.8540 5.8608 6.3729 6.3769 7.0190 7.0213 7.2560 7.2572 7.5193 7.5198 7.8970 7.9024 8.4222 8.4249 13.9450 13.9462 14.3601 14.3611 14.4351 14.4362 14.5605 14.5620 k = 0.2039-0.8235-1.4550 ( 3424 PWs) bands (ev): -3.8363 -3.8358 -3.1895 -3.1890 -3.0459 -3.0456 -1.3753 -1.3711 -1.3307 -1.3263 2.6678 2.6683 2.7032 2.7034 3.6218 3.6228 3.7776 3.7798 4.5645 4.5692 4.7218 4.7277 4.8309 4.8346 5.6388 5.6422 5.7538 5.7606 6.2734 6.2774 6.9282 6.9305 7.1643 7.1653 7.5119 7.5122 7.9038 7.9088 8.3586 8.3613 13.9072 13.9081 14.2959 14.2968 14.4007 14.4020 14.5391 14.5407 k = 0.2088-0.8431-1.4896 ( 3422 PWs) bands (ev): -3.7422 -3.7416 -3.1012 -3.1007 -2.9565 -2.9563 -1.3154 -1.3111 -1.2705 -1.2660 2.6193 2.6198 2.6606 2.6606 3.5097 3.5106 3.6707 3.6727 4.4951 4.4982 4.7178 4.7239 4.8114 4.8157 5.5309 5.5344 5.6569 5.6639 6.1755 6.1797 6.8373 6.8397 7.0715 7.0724 7.5034 7.5037 7.9111 7.9159 8.2939 8.2966 13.8740 13.8747 14.2315 14.2324 14.3591 14.3605 14.5253 14.5268 k = 0.2136-0.8627-1.5243 ( 3424 PWs) bands (ev): -3.6467 -3.6461 -3.0120 -3.0115 -2.8663 -2.8660 -1.2574 -1.2530 -1.2122 -1.2076 2.5689 2.5696 2.6149 2.6152 3.3998 3.4007 3.5656 3.5676 4.4045 4.4065 4.7285 4.7345 4.8107 4.8149 5.4240 5.4276 5.5653 5.5726 6.0800 6.0843 6.7469 6.7493 6.9781 6.9790 7.4933 7.4936 7.9183 7.9227 8.2282 8.2309 13.8458 13.8462 14.1675 14.1683 14.3114 14.3128 14.5178 14.5193 k = 0.2185-0.8823-1.5589 ( 3426 PWs) bands (ev): -3.5499 -3.5493 -2.9220 -2.9215 -2.7752 -2.7750 -1.2018 -1.1973 -1.1563 -1.1515 2.5180 2.5188 2.5677 2.5682 3.2925 3.2934 3.4628 3.4646 4.3054 4.3069 4.7481 4.7538 4.8157 4.8191 5.3186 5.3224 5.4817 5.4894 5.9878 5.9921 6.6576 6.6600 6.8847 6.8856 7.4812 7.4817 7.9248 7.9289 8.1619 8.1645 13.8224 13.8227 14.1041 14.1049 14.2593 14.2607 14.5154 14.5169 k = 0.2233-0.9019-1.5936 ( 3426 PWs) bands (ev): -3.4519 -3.4512 -2.8315 -2.8309 -2.6835 -2.6833 -1.1491 -1.1445 -1.1031 -1.0982 2.4680 2.4690 2.5202 2.5210 3.1880 3.1889 3.3625 3.3643 4.2041 4.2053 4.7710 4.7762 4.8175 4.8198 5.2157 5.2198 5.4104 5.4184 5.9000 5.9044 6.5700 6.5724 6.7916 6.7925 7.4670 7.4678 7.9298 7.9335 8.0955 8.0980 13.8039 13.8040 14.0417 14.0424 14.2037 14.2051 14.5174 14.5189 k = 0.2282-0.9215-1.6282 ( 3422 PWs) bands (ev): -3.3528 -3.3521 -2.7405 -2.7399 -2.5913 -2.5911 -1.0997 -1.0950 -1.0532 -1.0482 2.4202 2.4214 2.4737 2.4746 3.0866 3.0875 3.2651 3.2668 4.1032 4.1042 4.7906 4.7948 4.8093 4.8105 5.1173 5.1218 5.3565 5.3651 5.8183 5.8228 6.4848 6.4872 6.6992 6.7002 7.4505 7.4515 7.9318 7.9349 8.0305 8.0328 13.7898 13.7900 13.9809 13.9816 14.1455 14.1470 14.5234 14.5249 k = 0.2330-0.9411-1.6629 ( 3426 PWs) bands (ev): -3.2528 -3.2519 -2.6494 -2.6487 -2.4988 -2.4987 -1.0542 -1.0495 -1.0071 -1.0020 2.3755 2.3769 2.4290 2.4302 2.9887 2.9896 3.1710 3.1726 4.0040 4.0048 4.7770 4.7790 4.8059 4.8081 5.0283 5.0335 5.3248 5.3337 5.7448 5.7494 6.4027 6.4051 6.6079 6.6089 7.4316 7.4329 7.9227 7.9241 7.9759 7.9770 13.7791 13.7795 13.9229 13.9235 14.0855 14.0869 14.5333 14.5348 k = 0.2379-0.9608-1.6975 ( 3428 PWs) bands (ev): -3.1519 -3.1510 -2.5582 -2.5575 -2.4064 -2.4062 -1.0131 -1.0084 -0.9652 -0.9600 2.3352 2.3367 2.3871 2.3885 2.8945 2.8954 3.0804 3.0820 3.9072 3.9079 4.7296 4.7327 4.7901 4.7910 4.9610 4.9668 5.3152 5.3242 5.6823 5.6869 6.3250 6.3274 6.5181 6.5192 7.4103 7.4119 7.8761 7.8780 7.9548 7.9572 13.7689 13.7693 13.8709 13.8715 14.0242 14.0256 14.5471 14.5487 k = 0.2427-0.9804-1.7321 ( 3430 PWs) bands (ev): -3.0503 -3.0493 -2.4673 -2.4665 -2.3141 -2.3140 -0.9771 -0.9723 -0.9282 -0.9229 2.2999 2.3015 2.3486 2.3502 2.8045 2.8054 2.9939 2.9954 3.8133 3.8138 4.6652 4.6692 4.7341 4.7369 4.9247 4.9305 5.3226 5.3314 5.6339 5.6386 6.2531 6.2555 6.4304 6.4315 7.3866 7.3884 7.8118 7.8141 7.9503 7.9529 13.7495 13.7502 13.8340 13.8349 13.9624 13.9637 14.5649 14.5666 k = 0.2476-1.0000-1.7668 ( 3428 PWs) bands (ev): -2.9482 -2.9471 -2.3769 -2.3760 -2.2224 -2.2223 -0.9464 -0.9416 -0.8964 -0.8910 2.2702 2.2720 2.3141 2.3158 2.7191 2.7201 2.9118 2.9133 3.7226 3.7230 4.5896 4.5942 4.6542 4.6580 4.9015 4.9065 5.3396 5.3479 5.6020 5.6068 6.1891 6.1916 6.3454 6.3466 7.3605 7.3625 7.7451 7.7474 7.9472 7.9496 13.7117 13.7126 13.8211 13.8220 13.9017 13.9026 14.5867 14.5884 k = 0.2525-1.0196-1.8014 ( 3428 PWs) bands (ev): -2.8458 -2.8446 -2.2873 -2.2864 -2.1316 -2.1314 -0.9217 -0.9169 -0.8702 -0.8647 2.2466 2.2484 2.2836 2.2854 2.6390 2.6401 2.8347 2.8362 3.6355 3.6359 4.5075 4.5125 4.5666 4.5707 4.8728 4.8770 5.3586 5.3663 5.5872 5.5920 6.1358 6.1384 6.2645 6.2659 7.3320 7.3343 7.6782 7.6805 7.9431 7.9452 13.6637 13.6645 13.8139 13.8149 13.8518 13.8530 14.6126 14.6144 k = 0.2573-1.0392-1.8361 ( 3430 PWs) bands (ev): -2.7432 -2.7420 -2.1989 -2.1979 -2.0419 -2.0417 -0.9032 -0.8984 -0.8500 -0.8444 2.2287 2.2305 2.2575 2.2593 2.5648 2.5660 2.7633 2.7648 3.5524 3.5527 4.4222 4.4273 4.4775 4.4817 4.8332 4.8369 5.3729 5.3799 5.5865 5.5913 6.0958 6.0985 6.1900 6.1917 7.3013 7.3037 7.6119 7.6142 7.9373 7.9392 13.6134 13.6142 13.7665 13.7684 13.8505 13.8527 14.6427 14.6446 k = 0.2622-1.0588-1.8707 ( 3436 PWs) bands (ev): -2.6407 -2.6394 -2.1119 -2.1109 -1.9538 -1.9536 -0.8911 -0.8864 -0.8359 -0.8303 2.2146 2.2160 2.2370 2.2385 2.4974 2.4988 2.6984 2.6999 3.4736 3.4739 4.3359 4.3410 4.3889 4.3932 4.7835 4.7869 5.3767 5.3830 5.5945 5.5990 6.0684 6.0712 6.1284 6.1308 7.2683 7.2710 7.5469 7.5490 7.9298 7.9314 13.5636 13.5644 13.7072 13.7090 13.8687 13.8709 14.6769 14.6790 k = 0.2670-1.0784-1.9054 ( 3440 PWs) bands (ev): -2.5385 -2.5371 -2.0268 -2.0257 -1.8676 -1.8674 -0.8856 -0.8809 -0.8282 -0.8225 2.1980 2.1989 2.2265 2.2278 2.4377 2.4394 2.6412 2.6426 3.3994 3.3998 4.2502 4.2553 4.3021 4.3064 4.7266 4.7301 5.3666 5.3722 5.6036 5.6075 6.0386 6.0413 6.1006 6.1044 7.2334 7.2362 7.4834 7.4854 7.9203 7.9217 13.5156 13.5163 13.6476 13.6493 13.8927 13.8950 14.7154 14.7176 k = 0.2719-1.0980-1.9400 ( 3440 PWs) bands (ev): -2.4370 -2.4355 -1.9440 -1.9428 -1.7840 -1.7837 -0.8866 -0.8820 -0.8266 -0.8209 2.1761 2.1769 2.2263 2.2277 2.3866 2.3885 2.5928 2.5941 3.3303 3.3308 4.1662 4.1713 4.2177 4.2220 4.6655 4.6691 5.3423 5.3473 5.6046 5.6078 6.0057 6.0084 6.1128 6.1172 7.1965 7.1995 7.4222 7.4240 7.9090 7.9102 13.4697 13.4705 13.5893 13.5909 13.9204 13.9227 14.7581 14.7603 k = 0.2767-1.1176-1.9746 ( 3434 PWs) bands (ev): -2.3363 -2.3347 -1.8639 -1.8626 -1.7033 -1.7029 -0.8939 -0.8893 -0.8312 -0.8255 2.1509 2.1514 2.2327 2.2340 2.3444 2.3464 2.5547 2.5559 3.2668 3.2673 4.0847 4.0898 4.1363 4.1407 4.6028 4.6067 5.3063 5.3107 5.5896 5.5920 5.9895 5.9925 6.1469 6.1517 7.1580 7.1611 7.3636 7.3653 7.8959 7.8968 13.4264 13.4272 13.5327 13.5343 13.9505 13.9529 14.8048 14.8071 k = 0.2816-1.1372-2.0093 ( 3428 PWs) bands (ev): -2.2368 -2.2351 -1.7869 -1.7855 -1.6260 -1.6256 -0.9072 -0.9028 -0.8416 -0.8358 2.1236 2.1238 2.2425 2.2433 2.3112 2.3128 2.5276 2.5286 3.2093 3.2099 4.0065 4.0117 4.0586 4.0632 4.5407 4.5447 5.2620 5.2660 5.5561 5.5578 5.9939 5.9970 6.1950 6.2001 7.1180 7.1213 7.3085 7.3099 7.8810 7.8817 13.3859 13.3867 13.4784 13.4799 13.9820 13.9843 14.8555 14.8578 k = 0.2864-1.1568-2.0439 ( 3432 PWs) bands (ev): -2.1388 -2.1370 -1.7136 -1.7120 -1.5529 -1.5523 -0.9261 -0.9218 -0.8574 -0.8517 2.0959 2.0961 2.2476 2.2490 2.2908 2.2913 2.5114 2.5121 3.1585 3.1591 3.9322 3.9375 3.9855 3.9903 4.4809 4.4851 5.2128 5.2165 5.5085 5.5097 6.0136 6.0166 6.2527 6.2580 7.0768 7.0802 7.2576 7.2587 7.8643 7.8648 13.3483 13.3492 13.4268 13.4283 14.0133 14.0156 14.9098 14.9122 k = 0.2913-1.1764-2.0786 ( 3434 PWs) bands (ev): -2.0428 -2.0409 -1.6443 -1.6427 -1.4844 -1.4838 -0.9500 -0.9459 -0.8781 -0.8724 2.0702 2.0705 2.2351 2.2381 2.2919 2.2940 2.5041 2.5046 3.1148 3.1155 3.8624 3.8678 3.9177 3.9227 4.4249 4.4295 5.1616 5.1650 5.4525 5.4534 6.0412 6.0440 6.3168 6.3222 7.0347 7.0382 7.2119 7.2127 7.8460 7.8463 13.3135 13.3147 13.3784 13.3799 14.0429 14.0450 14.9672 14.9696 k = 0.2962-1.1960-2.1132 ( 3430 PWs) bands (ev): -1.9493 -1.9473 -1.5796 -1.5778 -1.4212 -1.4205 -0.9784 -0.9744 -0.9031 -0.8975 2.0484 2.0488 2.2153 2.2183 2.3055 2.3077 2.5028 2.5033 3.0788 3.0795 3.7979 3.8032 3.8561 3.8613 4.3746 4.3794 5.1103 5.1135 5.3925 5.3932 6.0707 6.0731 6.3854 6.3908 6.9919 6.9956 7.1725 7.1728 7.8263 7.8264 13.2812 13.2828 13.3339 13.3356 14.0688 14.0708 15.0266 15.0289 k = 0.3010-1.2156-2.1479 ( 3430 PWs) bands (ev): -1.8586 -1.8565 -1.5199 -1.5180 -1.3640 -1.3634 -1.0106 -1.0067 -0.9317 -0.9261 2.0318 2.0323 2.1967 2.1994 2.3204 2.3225 2.5044 2.5051 3.0506 3.0514 3.7392 3.7445 3.8016 3.8069 4.3314 4.3365 5.0608 5.0638 5.3312 5.3317 6.0978 6.0997 6.4567 6.4621 6.9486 6.9525 7.1406 7.1408 7.8051 7.8052 13.2505 13.2525 13.2950 13.2969 14.0889 14.0907 15.0844 15.0863 k = 0.3059-1.2353-2.1825 ( 3440 PWs) bands (ev): -1.7715 -1.7693 -1.4655 -1.4635 -1.3138 -1.3131 -1.0457 -1.0419 -0.9627 -0.9571 2.0213 2.0218 2.1813 2.1838 2.3333 2.3352 2.5060 2.5068 3.0300 3.0308 3.6870 3.6921 3.7551 3.7604 4.2971 4.3026 5.0144 5.0172 5.2703 5.2708 6.1192 6.1206 6.5295 6.5348 6.9050 6.9091 7.1172 7.1180 7.7827 7.7830 13.2197 13.2220 13.2636 13.2656 14.1010 14.1027 15.1273 15.1284 k = 0.3107-1.2549-2.2171 ( 3442 PWs) bands (ev): -1.6887 -1.6865 -1.4168 -1.4147 -1.2718 -1.2711 -1.0829 -1.0793 -0.9948 -0.9893 2.0171 2.0177 2.1698 2.1721 2.3428 2.3446 2.5051 2.5060 3.0162 3.0171 3.6421 3.6469 3.7172 3.7224 4.2735 4.2793 4.9725 4.9751 5.2110 5.2114 6.1326 6.1338 6.6027 6.6078 6.8616 6.8658 7.1038 7.1052 7.7592 7.7597 13.1885 13.1906 13.2408 13.2426 14.1033 14.1050 15.1425 15.1433 k = 0.3156-1.2745-2.2518 ( 3444 PWs) bands (ev): -1.6115 -1.6092 -1.3741 -1.3720 -1.2401 -1.2393 -1.1207 -1.1175 -1.0254 -1.0201 2.0191 2.0198 2.1622 2.1643 2.3482 2.3500 2.5003 2.5012 3.0077 3.0087 3.6049 3.6093 3.6884 3.6934 4.2623 4.2685 4.9363 4.9387 5.1542 5.1545 6.1368 6.1380 6.6743 6.6790 6.8197 6.8238 7.1009 7.1028 7.7349 7.7356 13.1579 13.1597 13.2257 13.2271 14.0948 14.0965 15.1540 15.1543 k = 0.3204-1.2941-2.2864 ( 3448 PWs) bands (ev): -1.5417 -1.5394 -1.3375 -1.3354 -1.2225 -1.2211 -1.1574 -1.1549 -1.0501 -1.0452 2.0264 2.0271 2.1586 2.1606 2.3493 2.3510 2.4910 2.4920 3.0027 3.0038 3.5754 3.5794 3.6694 3.6739 4.2649 4.2713 4.9072 4.9094 5.1004 5.1008 6.1314 6.1330 6.7321 6.7333 6.7937 6.7954 7.1081 7.1106 7.7101 7.7109 13.1293 13.1308 13.2168 13.2179 14.0755 14.0774 15.1748 15.1752 k = 0.3253-1.3137-2.3211 ( 3442 PWs) bands (ev): -1.4834 -1.4811 -1.3070 -1.3053 -1.2228 -1.2195 -1.1907 -1.1890 -1.0637 -1.0593 2.0369 2.0376 2.1593 2.1611 2.3459 2.3477 2.4780 2.4791 2.9995 3.0008 3.5532 3.5567 3.6604 3.6642 4.2818 4.2884 4.8864 4.8885 5.0505 5.0508 6.1172 6.1193 6.7147 6.7190 6.8361 6.8405 7.1244 7.1272 7.6849 7.6859 13.1033 13.1047 13.2136 13.2145 14.0466 14.0487 15.2069 15.2077 k = 0.3301-1.3333-2.3557 ( 3448 PWs) bands (ev): -1.4446 -1.4421 -1.2835 -1.2829 -1.2350 -1.2303 -1.2181 -1.2145 -1.0653 -1.0614 2.0474 2.0481 2.1653 2.1671 2.3377 2.3397 2.4632 2.4644 2.9972 2.9985 3.5377 3.5409 3.6614 3.6642 4.3132 4.3199 4.8754 4.8773 5.0049 5.0053 6.0955 6.0979 6.6732 6.6782 6.9038 6.9083 7.1481 7.1511 7.6598 7.6608 13.0803 13.0815 13.2160 13.2167 14.0096 14.0118 15.2493 15.2504 k = 0.3350-1.3529-2.3904 ( 3442 PWs) bands (ev): -1.4346 -1.4321 -1.2868 -1.2852 -1.2374 -1.2327 -1.2249 -1.2205 -1.0603 -1.0566 2.0535 2.0541 2.1775 2.1796 2.3246 2.3269 2.4492 2.4505 2.9954 2.9969 3.5288 3.5320 3.6715 3.6733 4.3583 4.3650 4.8754 4.8772 4.9645 4.9650 6.0677 6.0704 6.6296 6.6348 6.9727 6.9770 7.1772 7.1802 7.6351 7.6362 13.0604 13.0614 13.2238 13.2243 13.9665 13.9686 15.3000 15.3013 k = 0.6650-1.2919-2.3548 ( 3442 PWs) bands (ev): -1.4346 -1.4321 -1.2868 -1.2852 -1.2374 -1.2327 -1.2249 -1.2205 -1.0603 -1.0566 2.0535 2.0541 2.1775 2.1796 2.3246 2.3269 2.4492 2.4505 2.9954 2.9969 3.5288 3.5320 3.6715 3.6733 4.3583 4.3650 4.8754 4.8772 4.9645 4.9650 6.0677 6.0704 6.6296 6.6348 6.9727 6.9770 7.1772 7.1802 7.6351 7.6362 13.0604 13.0614 13.2238 13.2243 13.9665 13.9686 15.3000 15.3013 k = 0.6602-1.2521-2.3548 ( 3442 PWs) bands (ev): -1.4519 -1.4497 -1.3215 -1.3198 -1.2305 -1.2277 -1.1994 -1.1974 -1.0533 -1.0494 2.0520 2.0525 2.1936 2.1963 2.3088 2.3120 2.4381 2.4395 2.9947 2.9962 3.5269 3.5302 3.6892 3.6901 4.4154 4.4222 4.8872 4.8891 4.9302 4.9309 6.0353 6.0383 6.5859 6.5913 7.0402 7.0442 7.2095 7.2125 7.6115 7.6126 13.0432 13.0441 13.2370 13.2374 13.9190 13.9211 15.3565 15.3580 k = 0.6553-1.2123-2.3548 ( 3446 PWs) bands (ev): -1.4851 -1.4833 -1.3644 -1.3622 -1.2263 -1.2249 -1.1665 -1.1645 -1.0451 -1.0407 2.0424 2.0428 2.2017 2.2053 2.3010 2.3052 2.4304 2.4321 2.9956 2.9971 3.5330 3.5365 3.7126 3.7135 4.4825 4.4893 4.9005 4.9024 4.9144 4.9158 5.9998 6.0030 6.5426 6.5482 7.1055 7.1093 7.2431 7.2458 7.5897 7.5908 13.0287 13.0295 13.2556 13.2560 13.8687 13.8708 15.4166 15.4180 k = 0.6504-1.1725-2.3548 ( 3446 PWs) bands (ev): -1.5260 -1.5245 -1.4098 -1.4074 -1.2251 -1.2243 -1.1396 -1.1372 -1.0334 -1.0286 2.0257 2.0259 2.1872 2.1905 2.3146 2.3185 2.4265 2.4286 2.9982 2.9997 3.5482 3.5519 3.7408 3.7424 4.5566 4.5634 4.8845 4.8851 4.9513 4.9526 5.9624 5.9657 6.5001 6.5059 7.1682 7.1715 7.2757 7.2780 7.5712 7.5722 13.0162 13.0170 13.2795 13.2799 13.8171 13.8191 15.4776 15.4789 k = 0.6456-1.1328-2.3548 ( 3448 PWs) bands (ev): -1.5705 -1.5691 -1.4564 -1.4538 -1.2276 -1.2271 -1.1241 -1.1219 -1.0156 -1.0108 2.0030 2.0032 2.1551 2.1579 2.3382 2.3413 2.4299 2.4320 3.0024 3.0038 3.5735 3.5774 3.7740 3.7764 4.6329 4.6395 4.8799 4.8804 5.0021 5.0035 5.9241 5.9276 6.4587 6.4646 7.2271 7.2297 7.3053 7.3072 7.5579 7.5587 13.0053 13.0060 13.3085 13.3090 13.7655 13.7673 15.5364 15.5376 k = 0.6407-1.0930-2.3548 ( 3446 PWs) bands (ev): -1.6166 -1.6152 -1.5032 -1.5007 -1.2337 -1.2332 -1.1205 -1.1187 -0.9926 -0.9880 1.9754 1.9758 2.1150 2.1175 2.3516 2.3535 2.4488 2.4503 3.0072 3.0085 3.6095 3.6136 3.8125 3.8157 4.7022 4.7082 4.8967 4.8969 5.0652 5.0668 5.8860 5.8896 6.4186 6.4247 7.2790 7.2802 7.3318 7.3339 7.5522 7.5531 12.9951 12.9957 13.3425 13.3431 13.7152 13.7168 15.5893 15.5903 k = 0.6359-1.0532-2.3548 ( 3444 PWs) bands (ev): -1.6633 -1.6620 -1.5500 -1.5475 -1.2431 -1.2425 -1.1253 -1.1239 -0.9681 -0.9639 1.9440 1.9446 2.0713 2.0736 2.3483 2.3492 2.4838 2.4846 3.0114 3.0128 3.6565 3.6606 3.8575 3.8613 4.7532 4.7578 4.9445 4.9460 5.1394 5.1411 5.8493 5.8531 6.3801 6.3864 7.3105 7.3117 7.3645 7.3676 7.5562 7.5575 12.9845 12.9851 13.3808 13.3815 13.6675 13.6689 15.6318 15.6326 k = 0.6310-1.0134-2.3548 ( 3450 PWs) bands (ev): -1.7099 -1.7087 -1.5965 -1.5940 -1.2554 -1.2548 -1.1356 -1.1346 -0.9451 -0.9411 1.9096 1.9103 2.0258 2.0281 2.3345 2.3347 2.5254 2.5260 3.0138 3.0152 3.7141 3.7182 3.9099 3.9142 4.7873 4.7905 5.0211 5.0238 5.2231 5.2250 5.8154 5.8193 6.3436 6.3501 7.3165 7.3189 7.4093 7.4124 7.5700 7.5717 12.9725 12.9731 13.4220 13.4229 13.6246 13.6258 15.6585 15.6594 k = 0.6262-0.9736-2.3548 ( 3452 PWs) bands (ev): -1.7562 -1.7550 -1.6423 -1.6398 -1.2703 -1.2697 -1.1497 -1.1488 -0.9247 -0.9210 1.8730 1.8738 1.9797 1.9820 2.3144 2.3146 2.5678 2.5684 3.0135 3.0150 3.7818 3.7858 3.9705 3.9752 4.8169 4.8194 5.1118 5.1152 5.3149 5.3170 5.7863 5.7903 6.3094 6.3161 7.3096 7.3126 7.4566 7.4592 7.5912 7.5931 12.9576 12.9583 13.4620 13.4631 13.5913 13.5923 15.6662 15.6672 k = 0.6213-0.9338-2.3548 ( 3448 PWs) bands (ev): -1.8017 -1.8006 -1.6873 -1.6849 -1.2872 -1.2866 -1.1663 -1.1655 -0.9076 -0.9040 1.8348 1.8357 1.9336 1.9359 2.2903 2.2906 2.6083 2.6091 3.0098 3.0114 3.8588 3.8626 4.0396 4.0447 4.8501 4.8522 5.2050 5.2086 5.4131 5.4154 5.7655 5.7696 6.2781 6.2850 7.2962 7.2997 7.5024 7.5046 7.6168 7.6185 12.9387 12.9394 13.4853 13.4865 13.5834 13.5841 15.6546 15.6561 k = 0.6165-0.8940-2.3548 ( 3444 PWs) bands (ev): -1.8463 -1.8453 -1.7313 -1.7290 -1.3059 -1.3053 -1.1850 -1.1842 -0.8937 -0.8903 1.7957 1.7967 1.8879 1.8902 2.2633 2.2638 2.6454 2.6463 3.0027 3.0043 3.9440 3.9477 4.1171 4.1223 4.8904 4.8922 5.2912 5.2947 5.5156 5.5182 5.7592 5.7633 6.2504 6.2574 7.2797 7.2835 7.5459 7.5477 7.6442 7.6458 12.9144 12.9152 13.4765 13.4774 13.6165 13.6165 15.6264 15.6284 k = 0.6116-0.8542-2.3548 ( 3444 PWs) bands (ev): -1.8899 -1.8889 -1.7742 -1.7720 -1.3260 -1.3254 -1.2050 -1.2042 -0.8830 -0.8797 1.7561 1.7571 1.8431 1.8454 2.2344 2.2349 2.6781 2.6791 2.9922 2.9939 4.0367 4.0402 4.2020 4.2074 4.9388 4.9404 5.3596 5.3624 5.6204 5.6234 5.7767 5.7809 6.2275 6.2347 7.2619 7.2660 7.5868 7.5882 7.6721 7.6735 12.8842 12.8849 13.4549 13.4559 13.6691 13.6693 15.5845 15.5869 k = 0.6068-0.8144-2.3548 ( 3444 PWs) bands (ev): -1.9321 -1.9312 -1.8158 -1.8137 -1.3471 -1.3465 -1.2259 -1.2252 -0.8752 -0.8721 1.7164 1.7175 1.7994 1.8016 2.2042 2.2048 2.7059 2.7069 2.9790 2.9806 4.1358 4.1390 4.2933 4.2988 4.9952 4.9967 5.4011 5.4030 5.7249 5.7281 5.8258 5.8302 6.2115 6.2187 7.2440 7.2484 7.6250 7.6262 7.6996 7.7007 12.8476 12.8483 13.4322 13.4334 13.7285 13.7289 15.5307 15.5335 k = 0.6019-0.7746-2.3548 ( 3452 PWs) bands (ev): -1.9731 -1.9722 -1.8561 -1.8541 -1.3688 -1.3683 -1.2475 -1.2467 -0.8701 -0.8671 1.6771 1.6782 1.7569 1.7591 2.1733 2.1739 2.7286 2.7296 2.9634 2.9651 4.2405 4.2434 4.3895 4.3951 5.0588 5.0602 5.4178 5.4191 5.8257 5.8291 5.9029 5.9078 6.2067 6.2134 7.2270 7.2316 7.6607 7.6617 7.7262 7.7271 12.8048 12.8056 13.4097 13.4111 13.7908 13.7912 15.4661 15.4691 k = 0.5971-0.7348-2.3548 ( 3448 PWs) bands (ev): -2.0126 -2.0117 -1.8950 -1.8930 -1.3910 -1.3905 -1.2693 -1.2686 -0.8673 -0.8645 1.6384 1.6395 1.7158 1.7180 2.1421 2.1427 2.7461 2.7472 2.9463 2.9479 4.3497 4.3522 4.4889 4.4946 5.1271 5.1286 5.4209 5.4220 5.9162 5.9199 5.9960 6.0012 6.2213 6.2269 7.2116 7.2164 7.6938 7.6948 7.7517 7.7525 12.7564 12.7571 13.3862 13.3878 13.8536 13.8541 15.3915 15.3946 k = 0.5922-0.6951-2.3548 ( 3442 PWs) bands (ev): -2.0505 -2.0497 -1.9324 -1.9305 -1.4133 -1.4128 -1.2912 -1.2905 -0.8665 -0.8638 1.6006 1.6018 1.6762 1.6783 2.1110 2.1116 2.7587 2.7598 2.9282 2.9298 4.4624 4.4644 4.5897 4.5957 5.1945 5.1967 5.4237 5.4249 5.9828 5.9882 6.0969 6.1018 6.2670 6.2710 7.1986 7.2036 7.7245 7.7259 7.7759 7.7769 12.7029 12.7036 13.3596 13.3614 13.9150 13.9155 15.3084 15.3114 k = 0.5874-0.6553-2.3548 ( 3440 PWs) bands (ev): -2.0868 -2.0861 -1.9681 -1.9663 -1.4356 -1.4351 -1.3130 -1.3123 -0.8674 -0.8649 1.5640 1.5651 1.6383 1.6403 2.0803 2.0810 2.7667 2.7678 2.9096 2.9111 4.5773 4.5785 4.6899 4.6962 5.2491 5.2529 5.4425 5.4441 6.0213 6.0289 6.2016 6.2062 6.3453 6.3485 7.1888 7.1940 7.7532 7.7550 7.7990 7.8002 12.6450 12.6457 13.3277 13.3298 13.9726 13.9731 15.2189 15.2218 k = 0.5825-0.6155-2.3548 ( 3432 PWs) bands (ev): -2.1215 -2.1208 -2.0022 -2.0006 -1.4575 -1.4571 -1.3344 -1.3338 -0.8698 -0.8675 1.5287 1.5298 1.6020 1.6040 2.0504 2.0510 2.7705 2.7715 2.8912 2.8927 4.6923 4.6927 4.7874 4.7940 5.2783 5.2839 5.4931 5.4955 6.0445 6.0536 6.3063 6.3105 6.4440 6.4472 7.1834 7.1887 7.7801 7.7823 7.8211 7.8228 12.5831 12.5839 13.2884 13.2908 14.0232 14.0238 15.1257 15.1282 k = 0.5776-0.5757-2.3548 ( 3434 PWs) bands (ev): -2.1544 -2.1538 -2.0347 -2.0331 -1.4790 -1.4786 -1.3553 -1.3547 -0.8734 -0.8712 1.4948 1.4959 1.5676 1.5695 2.0214 2.0220 2.7703 2.7713 2.8736 2.8750 4.8040 4.8050 4.8794 4.8864 5.2893 5.2963 5.5714 5.5743 6.0650 6.0750 6.4069 6.4109 6.5516 6.5550 7.1837 7.1889 7.8054 7.8082 7.8426 7.8448 12.5177 12.5187 13.2400 13.2425 14.0629 14.0636 15.0314 15.0335 k = 0.5728-0.5359-2.3548 ( 3440 PWs) bands (ev): -2.1855 -2.1849 -2.0653 -2.0638 -1.4998 -1.4994 -1.3755 -1.3749 -0.8779 -0.8758 1.4626 1.4636 1.5349 1.5367 1.9935 1.9941 2.7665 2.7675 2.8571 2.8585 4.9078 4.9103 4.9626 4.9699 5.3000 5.3085 5.6640 5.6673 6.0896 6.1003 6.5000 6.5038 6.6620 6.6656 7.1914 7.1963 7.8295 7.8328 7.8638 7.8665 12.4493 12.4505 13.1813 13.1841 14.0865 14.0874 14.9383 14.9400 k = 0.5679-0.4961-2.3548 ( 3432 PWs) bands (ev): -2.2148 -2.2143 -2.0941 -2.0928 -1.5199 -1.5195 -1.3950 -1.3944 -0.8831 -0.8811 1.4321 1.4330 1.5042 1.5059 1.9669 1.9674 2.7596 2.7606 2.8423 2.8435 4.9953 4.9994 5.0339 5.0412 5.3268 5.3366 5.7630 5.7667 6.1222 6.1331 6.5824 6.5861 6.7718 6.7755 7.2083 7.2126 7.8528 7.8567 7.8851 7.8885 12.3782 12.3796 13.1121 13.1151 14.0878 14.0891 14.8493 14.8506 k = 0.5631-0.4563-2.3548 ( 3436 PWs) bands (ev): -2.2423 -2.2417 -2.1211 -2.1199 -1.5390 -1.5386 -1.4135 -1.4129 -0.8887 -0.8869 1.4034 1.4043 1.4755 1.4770 1.9417 1.9422 2.7501 2.7510 2.8290 2.8302 5.0499 5.0546 5.0986 5.1051 5.3822 5.3923 5.8644 5.8686 6.1645 6.1755 6.6516 6.6555 6.8786 6.8826 7.2356 7.2390 7.8756 7.8801 7.9071 7.9111 12.3048 12.3065 13.0330 13.0362 14.0615 14.0633 14.7685 14.7692 k = 0.5582-0.4165-2.3548 ( 3426 PWs) bands (ev): -2.2678 -2.2673 -2.1463 -2.1451 -1.5571 -1.5568 -1.4309 -1.4304 -0.8946 -0.8929 1.3766 1.3774 1.4487 1.4501 1.9180 1.9185 2.7388 2.7397 2.8174 2.8184 5.0711 5.0752 5.1572 5.1636 5.4654 5.4746 5.9655 5.9703 6.2171 6.2280 6.7064 6.7109 6.9809 6.9851 7.2731 7.2755 7.8985 7.9035 7.9303 7.9350 12.2297 12.2315 12.9457 12.9490 14.0063 14.0087 14.6994 14.6996 k = 0.5534-0.3767-2.3548 ( 3426 PWs) bands (ev): -2.2913 -2.2909 -2.1695 -2.1684 -1.5740 -1.5737 -1.4473 -1.4468 -0.9006 -0.8991 1.3517 1.3525 1.4239 1.4252 1.8959 1.8964 2.7265 2.7273 2.8070 2.8079 5.0747 5.0778 5.2049 5.2110 5.5646 5.5728 6.0642 6.0697 6.2794 6.2897 6.7481 6.7536 7.0769 7.0813 7.3184 7.3199 7.9219 7.9274 7.9554 7.9607 12.1532 12.1553 12.8521 12.8555 13.9265 13.9293 14.6416 14.6418 k = 0.5485-0.3369-2.3548 ( 3422 PWs) bands (ev): -2.3129 -2.3125 -2.1908 -2.1898 -1.5898 -1.5895 -1.4625 -1.4621 -0.9065 -0.9052 1.3289 1.3296 1.4012 1.4024 1.8756 1.8760 2.7138 2.7146 2.7976 2.7984 5.0700 5.0724 5.2417 5.2475 5.6702 5.6773 6.1586 6.1648 6.3493 6.3588 6.7796 6.7863 7.1652 7.1699 7.3676 7.3690 7.9465 7.9524 7.9828 7.9887 12.0763 12.0785 12.7550 12.7584 13.8303 13.8334 14.5925 14.5931 k = 0.5437-0.2971-2.3548 ( 3418 PWs) bands (ev): -2.3325 -2.3322 -2.2101 -2.2092 -1.6043 -1.6040 -1.4764 -1.4760 -0.9123 -0.9110 1.3081 1.3087 1.3806 1.3817 1.8570 1.8574 2.7014 2.7021 2.7891 2.7898 5.0619 5.0636 5.2694 5.2746 5.7761 5.7823 6.2470 6.2539 6.4240 6.4326 6.8045 6.8125 7.2446 7.2495 7.4167 7.4186 7.9726 7.9788 8.0128 8.0191 11.9998 12.0021 12.6572 12.6605 13.7262 13.7293 14.5493 14.5501 k = 0.5388-0.2573-2.3548 ( 3420 PWs) bands (ev): -2.3502 -2.3498 -2.2274 -2.2266 -1.6173 -1.6171 -1.4890 -1.4887 -0.9177 -0.9166 1.2894 1.2900 1.3621 1.3631 1.8402 1.8406 2.6896 2.6902 2.7814 2.7820 5.0524 5.0537 5.2898 5.2943 5.8787 5.8841 6.3275 6.3352 6.5002 6.5079 6.8266 6.8356 7.3140 7.3189 7.4626 7.4650 8.0005 8.0067 8.0454 8.0517 11.9249 11.9272 12.5613 12.5645 13.6208 13.6239 14.5102 14.5111 k = 0.5340-0.2176-2.3548 ( 3422 PWs) bands (ev): -2.3657 -2.3655 -2.2427 -2.2421 -1.6290 -1.6288 -1.5002 -1.4999 -0.9227 -0.9218 1.2729 1.2734 1.3457 1.3466 1.8253 1.8256 2.6788 2.6793 2.7744 2.7750 5.0428 5.0438 5.3045 5.3083 5.9755 5.9802 6.3986 6.4068 6.5746 6.5814 6.8487 6.8583 7.3729 7.3777 7.5030 7.5057 8.0300 8.0360 8.0797 8.0858 11.8529 11.8552 12.4701 12.4730 13.5192 13.5221 14.4741 14.4750 k = 0.5291-0.1778-2.3548 ( 3420 PWs) bands (ev): -2.3792 -2.3790 -2.2561 -2.2555 -1.6392 -1.6391 -1.5101 -1.5098 -0.9273 -0.9264 1.2585 1.2589 1.3315 1.3322 1.8123 1.8126 2.6691 2.6695 2.7682 2.7687 5.0338 5.0346 5.3149 5.3181 6.0644 6.0684 6.4588 6.4670 6.6442 6.6503 6.8730 6.8826 7.4213 7.4257 7.5368 7.5395 8.0603 8.0660 8.1147 8.1203 11.7855 11.7877 12.3859 12.3886 13.4251 13.4277 14.4406 14.4415 k = 0.5243-0.1380-2.3548 ( 3428 PWs) bands (ev): -2.3907 -2.3905 -2.2673 -2.2668 -1.6480 -1.6478 -1.5184 -1.5182 -0.9312 -0.9305 1.2463 1.2466 1.3194 1.3201 1.8013 1.8015 2.6607 2.6610 2.7629 2.7633 5.0257 5.0263 5.3222 5.3248 6.1435 6.1468 6.5070 6.5148 6.7066 6.7119 6.9002 6.9091 7.4595 7.4634 7.5638 7.5663 8.0902 8.0952 8.1486 8.1536 11.7243 11.7263 12.3108 12.3132 13.3411 13.3434 14.4098 14.4106 k = 0.5194-0.0982-2.3548 ( 3428 PWs) bands (ev): -2.4001 -2.3999 -2.2766 -2.2762 -1.6551 -1.6550 -1.5253 -1.5251 -0.9345 -0.9340 1.2363 1.2366 1.3096 1.3101 1.7923 1.7924 2.6537 2.6540 2.7585 2.7588 5.0189 5.0194 5.3271 5.3292 6.2111 6.2137 6.5434 6.5502 6.7599 6.7645 6.9291 6.9366 7.4887 7.4919 7.5844 7.5866 8.1180 8.1221 8.1796 8.1838 11.6712 11.6729 12.2467 12.2487 13.2697 13.2716 14.3817 14.3823 k = 0.5146-0.0584-2.3548 ( 3428 PWs) bands (ev): -2.4074 -2.4073 -2.2838 -2.2835 -1.6607 -1.6606 -1.5307 -1.5306 -0.9371 -0.9367 1.2285 1.2287 1.3019 1.3023 1.7852 1.7853 2.6482 2.6484 2.7550 2.7552 5.0135 5.0138 5.3305 5.3320 6.2656 6.2676 6.5693 6.5746 6.8029 6.8066 6.9569 6.9626 7.5098 7.5123 7.5994 7.6011 8.1419 8.1451 8.2060 8.2092 11.6278 11.6292 12.1953 12.1968 13.2124 13.2138 14.3559 14.3563 k = 0.5097-0.0186-2.3548 ( 3430 PWs) bands (ev): -2.4126 -2.4126 -2.2889 -2.2887 -1.6647 -1.6647 -1.5345 -1.5344 -0.9390 -0.9387 1.2229 1.2231 1.2964 1.2967 1.7801 1.7802 2.6442 2.6444 2.7525 2.7526 5.0095 5.0097 5.3326 5.3336 6.3057 6.3070 6.5863 6.5899 6.8346 6.8372 6.9800 6.9838 7.5241 7.5258 7.6095 7.6107 8.1604 8.1625 8.2261 8.2283 11.5956 11.5966 12.1577 12.1587 13.1705 13.1715 14.3334 14.3336 k = 0.5049 0.0212-2.3548 ( 3434 PWs) bands (ev): -2.4158 -2.4157 -2.2919 -2.2918 -1.6671 -1.6671 -1.5368 -1.5368 -0.9401 -0.9399 1.2196 1.2197 1.2932 1.2933 1.7771 1.7772 2.6418 2.6419 2.7510 2.7510 5.0072 5.0073 5.3339 5.3344 6.3303 6.3310 6.5961 6.5979 6.8543 6.8557 6.9955 6.9974 7.5324 7.5333 7.6154 7.6160 8.1722 8.1733 8.2389 8.2400 11.5759 11.5764 12.1348 12.1354 13.1451 13.1456 14.3183 14.3183 k = 0.5000 0.0610-2.3548 ( 3442 PWs) bands (ev): -2.4168 -2.4168 -2.2929 -2.2929 -1.6679 -1.6679 -1.5376 -1.5376 -0.9404 -0.9404 1.2185 1.2185 1.2921 1.2921 1.7761 1.7761 2.6411 2.6411 2.7505 2.7505 5.0064 5.0064 5.3345 5.3345 6.3388 6.3388 6.5999 6.5999 6.8614 6.8614 7.0015 7.0015 7.5354 7.5354 7.6175 7.6175 8.1766 8.1766 8.2436 8.2436 11.5694 11.5694 12.1273 12.1273 13.1368 13.1368 14.3130 14.3130 k = 0.5000 0.0610-2.3548 ( 3442 PWs) bands (ev): -2.4168 -2.4168 -2.2929 -2.2929 -1.6679 -1.6679 -1.5376 -1.5376 -0.9404 -0.9404 1.2185 1.2185 1.2921 1.2921 1.7761 1.7761 2.6411 2.6411 2.7505 2.7505 5.0064 5.0064 5.3345 5.3345 6.3388 6.3388 6.5999 6.5999 6.8614 6.8614 7.0015 7.0015 7.5354 7.5354 7.6175 7.6175 8.1766 8.1766 8.2436 8.2436 11.5694 11.5694 12.1273 12.1273 13.1368 13.1368 14.3130 14.3130 k = 0.5330 0.0650-2.3477 ( 3440 PWs) bands (ev): -2.4175 -2.4174 -2.2922 -2.2920 -1.6729 -1.6727 -1.5323 -1.5322 -0.9414 -0.9413 1.2154 1.2155 1.2929 1.2930 1.7826 1.7827 2.6303 2.6309 2.7558 2.7567 4.9973 5.0004 5.3464 5.3492 6.3395 6.3395 6.5932 6.5939 6.8529 6.8529 7.0109 7.0109 7.5268 7.5269 7.6266 7.6273 8.1607 8.1607 8.2580 8.2580 11.5720 11.5722 12.1267 12.1268 13.1351 13.1352 14.2997 14.2998 k = 0.5660 0.0690-2.3406 ( 3434 PWs) bands (ev): -2.4195 -2.4194 -2.2897 -2.2894 -1.6858 -1.6854 -1.5181 -1.5179 -0.9444 -0.9442 1.2061 1.2063 1.2958 1.2961 1.8013 1.8016 2.6040 2.6048 2.7676 2.7691 4.9772 4.9827 5.3818 5.3864 6.3415 6.3415 6.5744 6.5759 6.8321 6.8321 7.0346 7.0346 7.5061 7.5064 7.6494 7.6506 8.1291 8.1291 8.2850 8.2851 11.5801 11.5805 12.1249 12.1251 13.1302 13.1305 14.2580 14.2583 k = 0.5990 0.0731-2.3335 ( 3434 PWs) bands (ev): -2.4227 -2.4226 -2.2856 -2.2852 -1.7032 -1.7026 -1.4985 -1.4983 -0.9493 -0.9489 1.1915 1.1918 1.3017 1.3021 1.8307 1.8311 2.5692 2.5700 2.7790 2.7806 4.9535 4.9603 5.4330 5.4386 6.3448 6.3448 6.5450 6.5471 6.8057 6.8057 7.0658 7.0658 7.4782 7.4790 7.6799 7.6813 8.0928 8.0928 8.3138 8.3138 11.5931 11.5936 12.1220 12.1222 13.1226 13.1229 14.2013 14.2020 k = 0.6320 0.0771-2.3263 ( 3436 PWs) bands (ev): -2.4269 -2.4268 -2.2801 -2.2796 -1.7229 -1.7222 -1.4756 -1.4755 -0.9560 -0.9556 1.1731 1.1735 1.3110 1.3114 1.8686 1.8690 2.5296 2.5303 2.7862 2.7880 4.9314 4.9390 5.4939 5.5000 6.3495 6.3495 6.5068 6.5094 6.7772 6.7772 7.1009 7.1009 7.4448 7.4459 7.7153 7.7169 8.0543 8.0543 8.3418 8.3418 11.6106 11.6113 12.1181 12.1183 13.1125 13.1129 14.1398 14.1406 k = 0.6650 0.0811-2.3192 ( 3437 PWs) bands (ev): -2.4320 -2.4319 -2.2734 -2.2728 -1.7435 -1.7428 -1.4510 -1.4508 -0.9646 -0.9641 1.1528 1.1533 1.3234 1.3239 1.9127 1.9131 2.4870 2.4877 2.7879 2.7897 4.9143 4.9223 5.5602 5.5663 6.3554 6.3554 6.4620 6.4650 6.7482 6.7483 7.1384 7.1384 7.4065 7.4079 7.7540 7.7557 8.0144 8.0144 8.3682 8.3682 11.6319 11.6328 12.1131 12.1134 13.1005 13.1010 14.0783 14.0792 k = 0.6650 0.0811-2.3192 ( 3437 PWs) bands (ev): -2.4320 -2.4319 -2.2734 -2.2728 -1.7435 -1.7428 -1.4510 -1.4508 -0.9646 -0.9641 1.1528 1.1533 1.3234 1.3239 1.9127 1.9131 2.4870 2.4877 2.7879 2.7897 4.9143 4.9223 5.5602 5.5663 6.3554 6.3554 6.4620 6.4650 6.7482 6.7483 7.1384 7.1384 7.4065 7.4079 7.7540 7.7557 8.0144 8.0144 8.3682 8.3682 11.6319 11.6328 12.1131 12.1134 13.1005 13.1010 14.0783 14.0792 k = 0.6622 0.0808-2.2793 ( 3439 PWs) bands (ev): -2.4451 -2.4449 -2.3053 -2.3046 -1.7300 -1.7290 -1.4627 -1.4624 -0.9535 -0.9524 1.1411 1.1417 1.3156 1.3162 1.9647 1.9651 2.5565 2.5572 2.7362 2.7375 4.8355 4.8441 5.6290 5.6352 6.3575 6.3575 6.5028 6.5055 6.7506 6.7506 7.1401 7.1401 7.3893 7.3905 7.7285 7.7301 8.0166 8.0166 8.3696 8.3696 11.6438 11.6447 12.1210 12.1212 13.1057 13.1064 14.0756 14.0765 k = 0.6594 0.0804-2.2394 ( 3437 PWs) bands (ev): -2.4764 -2.4760 -2.3510 -2.3502 -1.7182 -1.7169 -1.4762 -1.4756 -0.9392 -0.9376 1.1404 1.1411 1.3191 1.3198 2.0217 2.0220 2.6115 2.6115 2.7201 2.7202 4.7528 4.7617 5.6973 5.7034 6.3615 6.3615 6.5388 6.5411 6.7548 6.7548 7.1435 7.1435 7.3760 7.3769 7.7067 7.7080 8.0204 8.0204 8.3726 8.3726 11.6602 11.6611 12.1322 12.1323 13.1135 13.1145 14.0767 14.0776 k = 0.6566 0.0801-2.1995 ( 3435 PWs) bands (ev): -2.5231 -2.5226 -2.4083 -2.4074 -1.7099 -1.7082 -1.4935 -1.4926 -0.9225 -0.9203 1.1515 1.1523 1.3348 1.3354 2.0788 2.0791 2.6195 2.6202 2.7724 2.7735 4.6680 4.6771 5.7634 5.7692 6.3675 6.3675 6.5679 6.5697 6.7609 6.7609 7.1488 7.1489 7.3678 7.3684 7.6894 7.6904 8.0259 8.0259 8.3771 8.3771 11.6808 11.6818 12.1466 12.1466 13.1240 13.1252 14.0814 14.0823 k = 0.6538 0.0797-2.1596 ( 3429 PWs) bands (ev): -2.5820 -2.5814 -2.4753 -2.4744 -1.7074 -1.7055 -1.5163 -1.5152 -0.9037 -0.9010 1.1747 1.1756 1.3626 1.3633 2.1308 2.1310 2.6208 2.6213 2.8594 2.8608 4.5827 4.5920 5.8256 5.8312 6.3754 6.3754 6.5885 6.5895 6.7689 6.7689 7.1560 7.1560 7.3660 7.3660 7.6778 7.6784 8.0330 8.0330 8.3832 8.3832 11.7055 11.7066 12.1641 12.1643 13.1370 13.1385 14.0897 14.0906 k = 0.6510 0.0794-2.1197 ( 3429 PWs) bands (ev): -2.6503 -2.6497 -2.5498 -2.5489 -1.7129 -1.7109 -1.5456 -1.5444 -0.8834 -0.8802 1.2100 1.2109 1.4024 1.4030 2.1729 2.1732 2.6421 2.6422 2.9572 2.9588 4.4979 4.5073 5.8829 5.8880 6.3852 6.3852 6.5993 6.5996 6.7787 6.7788 7.1649 7.1649 7.3706 7.3709 7.6729 7.6731 8.0417 8.0417 8.3907 8.3907 11.7342 11.7353 12.1849 12.1852 13.1525 13.1543 14.1015 14.1024 k = 0.6482 0.0791-2.0798 ( 3427 PWs) bands (ev): -2.7258 -2.7251 -2.6301 -2.6292 -1.7276 -1.7256 -1.5820 -1.5807 -0.8626 -0.8589 1.2569 1.2578 1.4531 1.4538 2.2043 2.2045 2.6881 2.6883 3.0611 3.0629 4.4147 4.4240 5.9340 5.9386 6.3970 6.3970 6.5996 6.6001 6.7904 6.7905 7.1757 7.1757 7.3819 7.3828 7.6753 7.6757 8.0520 8.0520 8.3998 8.3998 11.7668 11.7679 12.2089 12.2093 13.1706 13.1726 14.1167 14.1176 k = 0.6454 0.0787-2.0399 ( 3420 PWs) bands (ev): -2.8067 -2.8060 -2.7148 -2.7139 -1.7520 -1.7499 -1.6253 -1.6238 -0.8423 -0.8381 1.3146 1.3157 1.5138 1.5144 2.2286 2.2286 2.7562 2.7566 3.1695 3.1713 4.3339 4.3433 5.9781 5.9820 6.4106 6.4106 6.5902 6.5915 6.8040 6.8040 7.1882 7.1882 7.3996 7.4010 7.6859 7.6868 8.0639 8.0640 8.4103 8.4103 11.8032 11.8042 12.2362 12.2366 13.1912 13.1935 14.1352 14.1361 k = 0.6426 0.0784-1.9999 ( 3415 PWs) bands (ev): -2.8915 -2.8909 -2.8026 -2.8019 -1.7856 -1.7835 -1.6749 -1.6734 -0.8240 -0.8194 1.3824 1.3834 1.5831 1.5837 2.2513 2.2515 2.8407 2.8413 3.2814 3.2833 4.2569 4.2662 6.0144 6.0176 6.4262 6.4262 6.5727 6.5747 6.8194 6.8194 7.2025 7.2025 7.4230 7.4247 7.7049 7.7065 8.0775 8.0775 8.4223 8.4224 11.8431 11.8442 12.2667 12.2673 13.2142 13.2167 14.1569 14.1578 k = 0.6398 0.0780-1.9600 ( 3419 PWs) bands (ev): -2.9792 -2.9786 -2.8928 -2.8921 -1.8277 -1.8256 -1.7302 -1.7287 -0.8089 -0.8039 1.4589 1.4599 1.6598 1.6603 2.2777 2.2780 2.9363 2.9372 3.3961 3.3981 4.1849 4.1942 6.0424 6.0448 6.4436 6.4436 6.5487 6.5513 6.8366 6.8366 7.2185 7.2186 7.4512 7.4533 7.7320 7.7341 8.0925 8.0925 8.4358 8.4358 11.8865 11.8875 12.3004 12.3011 13.2396 13.2424 14.1816 14.1826 k = 0.6370 0.0777-1.9201 ( 3420 PWs) bands (ev): -3.0690 -3.0684 -2.9845 -2.9838 -1.8772 -1.8752 -1.7905 -1.7890 -0.7985 -0.7931 1.5429 1.5439 1.7425 1.7430 2.3109 2.3114 3.0389 3.0399 3.5129 3.5150 4.1198 4.1290 6.0620 6.0636 6.4629 6.4629 6.5197 6.5228 6.8556 6.8556 7.2363 7.2364 7.4841 7.4866 7.7662 7.7687 8.1091 8.1092 8.4507 8.4507 11.9332 11.9342 12.3375 12.3382 13.2674 13.2705 14.2093 14.2103 k = 0.6342 0.0774-1.8802 ( 3418 PWs) bands (ev): -3.1600 -3.1595 -3.0771 -3.0765 -1.9330 -1.9310 -1.8549 -1.8533 -0.7935 -0.7878 1.6329 1.6339 1.8302 1.8306 2.3529 2.3534 3.1450 3.1463 3.6307 3.6329 4.0644 4.0734 6.0733 6.0742 6.4825 6.4834 6.4887 6.4914 6.8765 6.8765 7.2559 7.2559 7.5214 7.5243 7.8060 7.8089 8.1273 8.1273 8.4670 8.4670 11.9833 11.9842 12.3779 12.3787 13.2976 13.3009 14.2397 14.2408 k = 0.6314 0.0770-1.8403 ( 3416 PWs) bands (ev): -3.2518 -3.2513 -3.1703 -3.1697 -1.9941 -1.9921 -1.9226 -1.9210 -0.7945 -0.7886 1.7270 1.7280 1.9218 1.9221 2.4043 2.4049 3.2514 3.2529 3.7474 3.7499 4.0238 4.0322 6.0770 6.0771 6.4521 6.4561 6.5073 6.5074 6.8991 6.8991 7.2771 7.2771 7.5628 7.5661 7.8502 7.8534 8.1469 8.1469 8.4846 8.4846 12.0364 12.0373 12.4216 12.4225 13.3301 13.3337 14.2730 14.2741 k = 0.6286 0.0767-1.8004 ( 3422 PWs) bands (ev): -3.3440 -3.3435 -3.2635 -3.2630 -2.0593 -2.0574 -1.9930 -1.9914 -0.8020 -0.7959 1.8231 1.8240 2.0167 2.0168 2.4652 2.4660 3.3537 3.3558 3.8551 3.8585 4.0100 4.0170 6.0732 6.0739 6.4164 6.4208 6.5321 6.5322 6.9234 6.9234 7.3000 7.3000 7.6081 7.6117 7.8973 7.9007 8.1680 8.1680 8.5036 8.5036 12.0927 12.0934 12.4688 12.4697 13.3649 13.3687 14.3089 14.3101 k = 0.6259 0.0763-1.7605 ( 3425 PWs) bands (ev): -3.4361 -3.4357 -3.3565 -3.3561 -2.1279 -2.1260 -2.0654 -2.0638 -0.8157 -0.8095 1.9179 1.9188 2.1147 2.1147 2.5354 2.5362 3.4467 3.4496 3.9276 3.9332 4.0556 4.0595 6.0636 6.0650 6.3806 6.3853 6.5587 6.5588 6.9495 6.9495 7.3245 7.3245 7.6567 7.6606 7.9463 7.9499 8.1905 8.1906 8.5239 8.5239 12.1519 12.1525 12.5193 12.5203 13.4020 13.4060 14.3476 14.3489 k = 0.6231 0.0760-1.7206 ( 3421 PWs) bands (ev): -3.5279 -3.5275 -3.4491 -3.4487 -2.1990 -2.1972 -2.1394 -2.1378 -0.8356 -0.8293 2.0072 2.0080 2.2164 2.2164 2.6144 2.6153 3.5244 3.5285 3.9741 3.9797 4.1582 4.1608 6.0494 6.0516 6.3458 6.3508 6.5871 6.5872 6.9773 6.9773 7.3507 7.3507 7.7079 7.7121 7.9962 7.9999 8.2145 8.2145 8.5454 8.5454 12.2139 12.2145 12.5734 12.5744 13.4414 13.4456 14.3889 14.3903 k = 0.6203 0.0756-1.6806 ( 3419 PWs) bands (ev): -3.6190 -3.6187 -3.5409 -3.5405 -2.2719 -2.2701 -2.2144 -2.2128 -0.8611 -0.8547 2.0860 2.0866 2.3231 2.3231 2.7018 2.7027 3.5855 3.5908 4.0384 4.0428 4.2769 4.2791 6.0320 6.0347 6.3129 6.3183 6.6173 6.6173 7.0068 7.0068 7.3784 7.3784 7.7612 7.7655 8.0464 8.0500 8.2397 8.2398 8.5681 8.5681 12.2788 12.2792 12.6309 12.6320 13.4830 13.4874 14.4329 14.4344 k = 0.6175 0.0753-1.6407 ( 3419 PWs) bands (ev): -3.7093 -3.7090 -3.6318 -3.6314 -2.3461 -2.3444 -2.2901 -2.2885 -0.8916 -0.8853 2.1494 2.1499 2.4358 2.4358 2.7972 2.7981 3.6365 3.6427 4.1271 4.1304 4.3993 4.4014 6.0126 6.0159 6.2828 6.2885 6.6492 6.6492 7.0379 7.0379 7.4077 7.4077 7.8158 7.8202 8.0961 8.0998 8.2663 8.2664 8.5920 8.5920 12.3463 12.3465 12.6920 12.6931 13.5268 13.5314 14.4795 14.4811 k = 0.6147 0.0750-1.6008 ( 3425 PWs) bands (ev): -3.7987 -3.7984 -3.7216 -3.7213 -2.4211 -2.4194 -2.3661 -2.3646 -0.9267 -0.9204 2.1946 2.1951 2.5547 2.5547 2.8998 2.9007 3.6877 3.6941 4.2335 4.2360 4.5224 4.5244 5.9925 5.9964 6.2567 6.2627 6.6827 6.6828 7.0706 7.0707 7.4385 7.4385 7.8710 7.8756 8.1450 8.1486 8.2942 8.2943 8.6170 8.6170 12.4164 12.4165 12.7567 12.7577 13.5728 13.5776 14.5287 14.5304 k = 0.6119 0.0746-1.5609 ( 3428 PWs) bands (ev): -3.8868 -3.8866 -3.8101 -3.8099 -2.4964 -2.4948 -2.4421 -2.4406 -0.9656 -0.9594 2.2208 2.2215 2.6790 2.6790 3.0089 3.0096 3.7462 3.7526 4.3504 4.3524 4.6447 4.6467 5.9732 5.9776 6.2356 6.2419 6.7179 6.7180 7.1049 7.1050 7.4707 7.4708 7.9263 7.9310 8.1926 8.1962 8.3233 8.3234 8.6430 8.6431 12.4889 12.4891 12.8249 12.8259 13.6211 13.6260 14.5804 14.5823 k = 0.6091 0.0743-1.5210 ( 3420 PWs) bands (ev): -3.9737 -3.9734 -3.8973 -3.8971 -2.5717 -2.5701 -2.5179 -2.5164 -1.0078 -1.0017 2.2293 2.2302 2.8074 2.8075 3.1231 3.1237 3.8155 3.8216 4.4730 4.4747 4.7651 4.7671 5.9563 5.9612 6.2208 6.2274 6.7548 6.7548 7.1407 7.1408 7.5044 7.5045 7.9812 7.9859 8.2388 8.2423 8.3536 8.3537 8.6701 8.6701 12.5638 12.5641 12.8966 12.8976 13.6715 13.6766 14.6345 14.6365 k = 0.6063 0.0739-1.4811 ( 3419 PWs) bands (ev): -4.0591 -4.0589 -3.9830 -3.9828 -2.6468 -2.6452 -2.5932 -2.5918 -1.0527 -1.0466 2.2223 2.2235 2.9389 2.9391 3.2411 3.2414 3.8961 3.9018 4.5982 4.5997 4.8827 4.8847 5.9434 5.9487 6.2138 6.2207 6.7932 6.7932 7.1781 7.1781 7.5395 7.5395 8.0353 8.0399 8.2833 8.2866 8.3850 8.3851 8.6980 8.6981 12.6411 12.6416 12.9719 12.9729 13.7242 13.7294 14.6909 14.6930 k = 0.6035 0.0736-1.4412 ( 3421 PWs) bands (ev): -4.1429 -4.1428 -4.0672 -4.0670 -2.7212 -2.7197 -2.6678 -2.6664 -1.0997 -1.0938 2.2026 2.2041 3.0722 3.0726 3.3610 3.3611 3.9868 3.9921 4.7235 4.7249 4.9966 4.9985 5.9364 5.9422 6.2162 6.2234 6.8331 6.8331 7.2168 7.2169 7.5758 7.5759 8.0881 8.0927 8.3258 8.3290 8.4174 8.4175 8.7269 8.7269 12.7207 12.7214 13.0506 13.0515 13.7792 13.7844 14.7492 14.7515 k = 0.6007 0.0733-1.4013 ( 3420 PWs) bands (ev): -4.2252 -4.2250 -4.1497 -4.1496 -2.7949 -2.7935 -2.7416 -2.7402 -1.1484 -1.1426 2.1729 2.1747 3.2062 3.2068 3.4808 3.4812 4.0861 4.0910 4.8468 4.8481 5.1058 5.1079 5.9378 5.9439 6.2297 6.2371 6.8745 6.8745 7.2570 7.2570 7.6135 7.6135 8.1395 8.1439 8.3664 8.3694 8.4509 8.4509 8.7565 8.7565 12.8025 12.8034 13.1327 13.1336 13.8363 13.8417 14.8093 14.8117 k = 0.5979 0.0729-1.3614 ( 3419 PWs) bands (ev): -4.3057 -4.3056 -4.2305 -4.2303 -2.8677 -2.8662 -2.8143 -2.8130 -1.1983 -1.1926 2.1357 2.1377 3.3396 3.3405 3.5987 3.5996 4.1921 4.1966 4.9661 4.9675 5.2100 5.2123 5.9499 5.9563 6.2561 6.2636 6.9173 6.9174 7.2985 7.2985 7.6523 7.6524 8.1891 8.1934 8.4050 8.4078 8.4852 8.4853 8.7868 8.7869 12.8865 12.8877 13.2181 13.2190 13.8958 13.9013 14.8708 14.8734 k = 0.5951 0.0726-1.3214 ( 3418 PWs) bands (ev): -4.3845 -4.3844 -4.3094 -4.3093 -2.9393 -2.9379 -2.8859 -2.8846 -1.2490 -1.2435 2.0928 2.0950 3.4710 3.4723 3.7127 3.7140 4.3033 4.3077 5.0793 5.0809 5.3096 5.3122 5.9755 5.9821 6.2964 6.3038 6.9615 6.9616 7.3412 7.3413 7.6923 7.6923 8.2368 8.2410 8.4414 8.4441 8.5204 8.5204 8.8178 8.8178 12.9727 12.9741 13.3067 13.3075 13.9575 13.9631 14.9335 14.9362 k = 0.5923 0.0722-1.2815 ( 3419 PWs) bands (ev): -4.4614 -4.4613 -4.3865 -4.3864 -3.0096 -3.0083 -2.9562 -2.9549 -1.3002 -1.2948 2.0460 2.0483 3.5987 3.6004 3.8204 3.8223 4.4189 4.4231 5.1845 5.1865 5.4061 5.4090 6.0170 6.0236 6.3512 6.3585 7.0071 7.0071 7.3852 7.3852 7.7333 7.7334 8.2825 8.2865 8.4758 8.4782 8.5563 8.5564 8.8493 8.8493 13.0610 13.0626 13.3982 13.3990 14.0216 14.0272 14.9970 14.9998 k = 0.5895 0.0719-1.2416 ( 3409 PWs) bands (ev): -4.5364 -4.5364 -4.4617 -4.4616 -3.0786 -3.0773 -3.0250 -3.0238 -1.3516 -1.3464 1.9964 1.9988 3.7208 3.7229 3.9197 3.9220 4.5381 4.5422 5.2812 5.2838 5.5017 5.5050 6.0757 6.0821 6.4202 6.4272 7.0538 7.0539 7.4303 7.4304 7.7754 7.7754 8.3261 8.3298 8.5082 8.5103 8.5929 8.5930 8.8812 8.8812 13.1514 13.1533 13.4926 13.4933 14.0880 14.0936 15.0611 15.0641 k = 0.5867 0.0716-1.2017 ( 3399 PWs) bands (ev): -4.6095 -4.6094 -4.5349 -4.5349 -3.1461 -3.1448 -3.0924 -3.0912 -1.4030 -1.3979 1.9449 1.9475 3.8349 3.8375 4.0082 4.0110 4.6608 4.6650 5.3709 5.3741 5.5990 5.6027 6.1515 6.1576 6.5020 6.5087 7.1018 7.1019 7.4765 7.4766 7.8184 7.8184 8.3676 8.3711 8.5385 8.5404 8.6301 8.6302 8.9135 8.9135 13.2440 13.2460 13.5897 13.5904 14.1568 14.1623 15.1256 15.1287 k = 0.5839 0.0712-1.1618 ( 3395 PWs) bands (ev): -4.6805 -4.6805 -4.6061 -4.6061 -3.2119 -3.2107 -3.1582 -3.1570 -1.4540 -1.4491 1.8925 1.8951 3.9389 3.9419 4.0846 4.0877 4.7872 4.7915 5.4570 5.4609 5.7001 5.7042 6.2430 6.2487 6.5947 6.6010 7.1509 7.1509 7.5237 7.5238 7.8621 7.8622 8.4070 8.4102 8.5669 8.5685 8.6678 8.6679 8.9460 8.9460 13.3385 13.3407 13.6891 13.6898 14.2278 14.2333 15.1902 15.1934 k = 0.5811 0.0709-1.1219 ( 3395 PWs) bands (ev): -4.7496 -4.7495 -4.6753 -4.6752 -3.2762 -3.2750 -3.2223 -3.2212 -1.5045 -1.4998 1.8396 1.8423 4.0306 4.0339 4.1478 4.1512 4.9176 4.9220 5.5443 5.5488 5.8062 5.8106 6.3475 6.3526 6.6963 6.7021 7.2010 7.2010 7.5718 7.5718 7.9067 7.9067 8.4444 8.4473 8.5934 8.5948 8.7059 8.7059 8.9786 8.9787 13.4350 13.4374 13.7907 13.7915 14.3012 14.3067 15.2549 15.2582 k = 0.5783 0.0705-1.0820 ( 3398 PWs) bands (ev): -4.8165 -4.8165 -4.7423 -4.7423 -3.3386 -3.3375 -3.2847 -3.2836 -1.5543 -1.5498 1.7868 1.7894 4.1082 4.1118 4.1979 4.2014 5.0522 5.0567 5.6369 5.6420 5.9179 5.9226 6.4620 6.4666 6.8046 6.8100 7.2520 7.2521 7.6207 7.6207 7.9519 7.9519 8.4798 8.4824 8.6182 8.6193 8.7443 8.7443 9.0113 9.0113 13.5334 13.5360 13.8943 13.8951 14.3769 14.3823 15.3196 15.3228 k = 0.5755 0.0702-1.0421 ( 3395 PWs) bands (ev): -4.8813 -4.8813 -4.8073 -4.8073 -3.3993 -3.3982 -3.3453 -3.3442 -1.6033 -1.5989 1.7344 1.7370 4.1710 4.1748 4.2358 4.2393 5.1912 5.1958 5.7377 5.7430 6.0356 6.0405 6.5840 6.5880 6.9177 6.9227 7.3039 7.3040 7.6703 7.6704 7.9976 7.9976 8.5134 8.5156 8.6414 8.6422 8.7828 8.7828 9.0439 9.0439 13.6336 13.6364 13.9995 14.0004 14.4548 14.4601 15.3842 15.3874 k = 0.5727 0.0699-1.0021 ( 3397 PWs) bands (ev): -4.9440 -4.9440 -4.8700 -4.8700 -3.4581 -3.4570 -3.4040 -3.4029 -1.6513 -1.6470 1.6827 1.6853 4.2192 4.2229 4.2628 4.2664 5.3346 5.3392 5.8477 5.8532 6.1590 6.1639 6.7110 6.7145 7.0342 7.0387 7.3566 7.3566 7.7205 7.7206 8.0438 8.0438 8.5454 8.5472 8.6632 8.6637 8.8214 8.8214 9.0762 9.0762 13.7355 13.7385 14.1061 14.1070 14.5349 14.5401 15.4486 15.4519 k = 0.5699 0.0695-0.9622 ( 3398 PWs) bands (ev): -5.0045 -5.0045 -4.9306 -4.9306 -3.5150 -3.5140 -3.4608 -3.4598 -1.6981 -1.6940 1.6320 1.6345 4.2534 4.2569 4.2810 4.2845 5.4819 5.4866 5.9667 5.9722 6.2875 6.2923 6.8412 6.8443 7.1525 7.1566 7.4099 7.4099 7.7712 7.7713 8.0903 8.0903 8.5759 8.5774 8.6837 8.6839 8.8599 8.8600 9.1082 9.1082 13.8390 13.8421 14.2137 14.2148 14.6170 14.6221 15.5129 15.5161 k = 0.5671 0.0692-0.9223 ( 3403 PWs) bands (ev): -5.0628 -5.0628 -4.9890 -4.9890 -3.5700 -3.5690 -3.5157 -3.5147 -1.7437 -1.7398 1.5824 1.5849 4.2742 4.2773 4.2932 4.2967 5.6328 5.6375 6.0938 6.0992 6.4203 6.4251 6.9732 6.9758 7.2716 7.2753 7.4637 7.4637 7.8223 7.8224 8.1369 8.1370 8.6053 8.6064 8.7031 8.7033 8.8983 8.8983 9.1397 9.1397 13.9438 13.9471 14.3220 14.3232 14.7012 14.7060 15.5768 15.5799 k = 0.5643 0.0688-0.8824 ( 3402 PWs) bands (ev): -5.1189 -5.1189 -5.0452 -5.0451 -3.6229 -3.6219 -3.5685 -3.5676 -1.7880 -1.7842 1.5342 1.5366 4.2824 4.2851 4.3019 4.3053 5.7865 5.7911 6.2275 6.2328 6.5566 6.5612 7.1056 7.1078 7.3903 7.3935 7.5179 7.5180 7.8736 7.8737 8.1837 8.1837 8.6339 8.6345 8.7214 8.7220 8.9363 8.9363 9.1706 9.1706 14.0498 14.0532 14.4305 14.4319 14.7871 14.7917 15.6403 15.6433 k = 0.5615 0.0685-0.8425 ( 3401 PWs) bands (ev): -5.1727 -5.1727 -5.0990 -5.0990 -3.6738 -3.6729 -3.6193 -3.6184 -1.8308 -1.8272 1.4874 1.4898 4.2818 4.2843 4.3064 4.3097 5.9424 5.9469 6.3663 6.3714 6.6954 6.6998 7.2376 7.2394 7.5077 7.5105 7.5724 7.5725 7.9250 7.9251 8.2304 8.2304 8.6619 8.6621 8.7392 8.7402 8.9739 8.9739 9.2007 9.2007 14.1567 14.1602 14.5388 14.5404 14.8745 14.8789 15.7030 15.7059 k = 0.5587 0.0681-0.8026 ( 3405 PWs) bands (ev): -5.2243 -5.2242 -5.1507 -5.1506 -3.7226 -3.7217 -3.6681 -3.6672 -1.8721 -1.8687 1.4422 1.4445 4.2759 4.2782 4.3062 4.3091 6.0998 6.1042 6.5089 6.5138 6.8359 6.8401 7.3681 7.3694 7.6222 7.6248 7.6274 7.6278 7.9764 7.9764 8.2769 8.2769 8.6896 8.6900 8.7569 8.7583 9.0109 9.0109 9.2300 9.2300 14.2640 14.2676 14.6465 14.6482 14.9631 14.9672 15.7646 15.7674 k = 0.5559 0.0678-0.7627 ( 3401 PWs) bands (ev): -5.2735 -5.2735 -5.2000 -5.1999 -3.7693 -3.7685 -3.7147 -3.7139 -1.9119 -1.9086 1.3987 1.4010 4.2665 4.2686 4.3017 4.3044 6.2578 6.2621 6.6539 6.6586 6.9772 6.9813 7.4961 7.4969 7.6817 7.6817 7.7348 7.7365 8.0275 8.0276 8.3231 8.3231 8.7176 8.7185 8.7747 8.7766 9.0472 9.0472 9.2582 9.2582 14.3713 14.3749 14.7528 14.7548 15.0524 15.0562 15.8244 15.8269 k = 0.5531 0.0675-0.7228 ( 3402 PWs) bands (ev): -5.3205 -5.3204 -5.2470 -5.2469 -3.8139 -3.8131 -3.7592 -3.7585 -1.9500 -1.9469 1.3570 1.3592 4.2546 4.2566 4.2940 4.2964 6.4159 6.4200 6.8002 6.8047 7.1187 7.1225 7.6208 7.6211 7.7361 7.7361 7.8423 7.8435 8.0783 8.0783 8.3687 8.3688 8.7466 8.7481 8.7934 8.7957 9.0826 9.0826 9.2853 9.2853 14.4779 14.4816 14.8570 14.8593 15.1417 15.1452 15.8814 15.8837 k = 0.5503 0.0671-0.6829 ( 3400 PWs) bands (ev): -5.3651 -5.3650 -5.2917 -5.2916 -3.8563 -3.8555 -3.8016 -3.8009 -1.9865 -1.9835 1.3171 1.3192 4.2410 4.2428 4.2837 4.2860 6.5733 6.5773 6.9469 6.9512 7.2594 7.2630 7.7409 7.7410 7.7902 7.7903 7.9443 7.9450 8.1284 8.1285 8.4137 8.4137 8.7773 8.7794 8.8135 8.8164 9.1169 9.1170 9.3111 9.3111 14.5831 14.5867 14.9584 14.9608 15.2300 15.2333 15.9342 15.9363 k = 0.5475 0.0668-0.6429 ( 3388 PWs) bands (ev): -5.4074 -5.4073 -5.3340 -5.3339 -3.8965 -3.8958 -3.8418 -3.8411 -2.0211 -2.0183 1.2791 1.2811 4.2263 4.2279 4.2717 4.2738 6.7294 6.7332 7.0930 7.0971 7.3988 7.4021 7.8431 7.8433 7.8555 7.8565 8.0398 8.0399 8.1778 8.1778 8.4579 8.4579 8.8100 8.8126 8.8363 8.8398 9.1502 9.1502 9.3355 9.3355 14.6856 14.6891 15.0557 15.0583 15.3162 15.3191 15.9810 15.9828 k = 0.5447 0.0664-0.6030 ( 3394 PWs) bands (ev): -5.4473 -5.4472 -5.3740 -5.3739 -3.9345 -3.9339 -3.8798 -3.8792 -2.0540 -2.0514 1.2431 1.2450 4.2109 4.2123 4.2585 4.2604 6.8834 6.8871 7.2376 7.2414 7.5359 7.5390 7.8963 7.8963 7.9629 7.9643 8.1270 8.1275 8.2262 8.2262 8.5011 8.5011 8.8438 8.8470 8.8642 8.8683 9.1822 9.1822 9.3584 9.3584 14.7838 14.7872 15.1473 15.1501 15.3983 15.4010 16.0192 16.0207 k = 0.5420 0.0661-0.5631 ( 3397 PWs) bands (ev): -5.4849 -5.4848 -5.4116 -5.4115 -3.9703 -3.9697 -3.9156 -3.9150 -2.0851 -2.0826 1.2091 1.2109 4.1952 4.1965 4.2447 4.2463 7.0348 7.0383 7.3798 7.3835 7.6702 7.6729 7.9480 7.9480 8.0624 8.0643 8.2055 8.2064 8.2734 8.2734 8.5430 8.5431 8.8769 8.8808 8.9006 8.9052 9.2127 9.2128 9.3797 9.3797 14.8755 14.8786 15.2310 15.2337 15.4744 15.4769 16.0471 16.0481 k = 0.5392 0.0658-0.5232 ( 3399 PWs) bands (ev): -5.5200 -5.5200 -5.4468 -5.4467 -4.0039 -4.0033 -3.9491 -3.9485 -2.1143 -2.1120 1.1771 1.1788 4.1796 4.1808 4.2306 4.2320 7.1827 7.1861 7.5190 7.5224 7.8006 7.8030 7.9985 7.9986 8.1525 8.1550 8.2748 8.2760 8.3192 8.3192 8.5837 8.5837 8.9108 8.9154 8.9453 8.9501 9.2418 9.2419 9.3993 9.3993 14.9573 14.9600 15.3035 15.3059 15.5420 15.5447 16.0651 16.0658 k = 0.5364 0.0654-0.4833 ( 3401 PWs) bands (ev): -5.5529 -5.5528 -5.4796 -5.4796 -4.0352 -4.0347 -3.9804 -3.9799 -2.1416 -2.1395 1.1472 1.1488 4.1642 4.1653 4.2165 4.2178 7.3265 7.3297 7.6542 7.6574 7.9264 7.9284 8.0476 8.0476 8.2321 8.2350 8.3352 8.3365 8.3633 8.3633 8.6228 8.6228 8.9486 8.9536 8.9956 9.0007 9.2692 9.2693 9.4171 9.4171 15.0248 15.0270 15.3605 15.3622 15.5998 15.6028 16.0781 16.0786 k = 0.5336 0.0651-0.4434 ( 3396 PWs) bands (ev): -5.5833 -5.5832 -5.5101 -5.5100 -4.0643 -4.0638 -4.0094 -4.0089 -2.1670 -2.1650 1.1194 1.1209 4.1494 4.1504 4.2027 4.2039 7.4653 7.4684 7.7846 7.7876 8.0464 8.0478 8.0949 8.0949 8.3004 8.3036 8.3874 8.3886 8.4055 8.4056 8.6601 8.6602 8.9912 8.9966 9.0501 9.0553 9.2950 9.2950 9.4331 9.4331 15.0726 15.0742 15.3974 15.3982 15.6480 15.6515 16.0931 16.0935 k = 0.5308 0.0647-0.4035 ( 3398 PWs) bands (ev): -5.6113 -5.6112 -5.5381 -5.5381 -4.0910 -4.0906 -4.0361 -4.0357 -2.1904 -2.1886 1.0938 1.0951 4.1353 4.1361 4.1894 4.1904 7.5984 7.6013 7.9094 7.9121 8.1399 8.1400 8.1591 8.1599 8.3575 8.3607 8.4331 8.4340 8.4455 8.4456 8.6956 8.6956 9.0387 9.0442 9.1071 9.1122 9.3189 9.3190 9.4473 9.4473 15.0960 15.0970 15.4118 15.4121 15.6876 15.6918 16.1147 16.1151 k = 0.5280 0.0644-0.3636 ( 3399 PWs) bands (ev): -5.6369 -5.6368 -5.5637 -5.5637 -4.1155 -4.1151 -4.0606 -4.0602 -2.2119 -2.2103 1.0703 1.0715 4.1220 4.1227 4.1768 4.1777 7.7248 7.7275 8.0275 8.0300 8.1830 8.1831 8.2615 8.2616 8.4044 8.4075 8.4751 8.4752 8.4833 8.4834 8.7289 8.7289 9.0900 9.0954 9.1647 9.1696 9.3410 9.3411 9.4596 9.4596 15.0941 15.0944 15.4047 15.4059 15.7190 15.7234 16.1442 16.1444 k = 0.5252 0.0641-0.3236 ( 3399 PWs) bands (ev): -5.6600 -5.6600 -5.5869 -5.5869 -4.1376 -4.1373 -4.0827 -4.0824 -2.2314 -2.2299 1.0490 1.0501 4.1096 4.1103 4.1650 4.1658 7.8437 7.8462 8.1381 8.1402 8.2234 8.2234 8.3480 8.3493 8.4432 8.4460 8.5149 8.5155 8.5203 8.5207 8.7600 8.7600 9.1436 9.1487 9.2213 9.2259 9.3612 9.3613 9.4700 9.4701 15.0706 15.0707 15.3807 15.3824 15.7400 15.7441 16.1794 16.1807 k = 0.5224 0.0637-0.2837 ( 3403 PWs) bands (ev): -5.6808 -5.6808 -5.6077 -5.6077 -4.1575 -4.1572 -4.1026 -4.1023 -2.2488 -2.2475 1.0299 1.0309 4.0983 4.0989 4.1542 4.1549 7.9540 7.9563 8.2395 8.2413 8.2611 8.2613 8.4127 8.4150 8.4759 8.4784 8.5485 8.5486 8.5678 8.5699 8.7885 8.7886 9.1974 9.2021 9.2753 9.2796 9.3795 9.3796 9.4788 9.4788 15.0324 15.0328 15.3447 15.3466 15.7479 15.7511 16.2191 16.2213 k = 0.5196 0.0634-0.2438 ( 3402 PWs) bands (ev): -5.6991 -5.6991 -5.6260 -5.6260 -4.1750 -4.1747 -4.1201 -4.1198 -2.2643 -2.2631 1.0131 1.0139 4.0882 4.0887 4.1445 4.1451 8.0548 8.0568 8.2943 8.2943 8.3322 8.3333 8.4547 8.4570 8.5031 8.5054 8.5774 8.5774 8.6276 8.6302 8.8144 8.8144 9.2496 9.2538 9.3253 9.3292 9.3959 9.3961 9.4858 9.4859 14.9866 14.9872 15.3019 15.3039 15.7421 15.7442 16.2633 16.2662 k = 0.5168 0.0630-0.2039 ( 3408 PWs) bands (ev): -5.7150 -5.7150 -5.6420 -5.6419 -4.1902 -4.1900 -4.1353 -4.1350 -2.2777 -2.2767 0.9984 0.9992 4.0793 4.0797 4.1359 4.1364 8.1451 8.1468 8.3249 8.3249 8.4106 8.4108 8.4838 8.4854 8.5249 8.5266 8.6027 8.6027 8.6914 8.6938 8.8374 8.8374 9.2984 9.3020 9.3701 9.3736 9.4104 9.4107 9.4912 9.4913 14.9388 14.9395 15.2572 15.2591 15.7254 15.7267 16.3098 16.3144 k = 0.5140 0.0627-0.1640 ( 3405 PWs) bands (ev): -5.7284 -5.7284 -5.6554 -5.6554 -4.2031 -4.2029 -4.1482 -4.1480 -2.2890 -2.2882 0.9860 0.9867 4.0717 4.0720 4.1285 4.1290 8.2237 8.2252 8.3514 8.3515 8.4655 8.4668 8.5131 8.5138 8.5447 8.5452 8.6244 8.6244 8.7516 8.7536 8.8573 8.8574 9.3422 9.3453 9.4082 9.4115 9.4235 9.4240 9.4952 9.4953 14.8931 14.8937 15.2143 15.2159 15.7026 15.7034 16.3479 16.3578 k = 0.5112 0.0623-0.1241 ( 3405 PWs) bands (ev): -5.7395 -5.7394 -5.6664 -5.6664 -4.2136 -4.2135 -4.1587 -4.1585 -2.2983 -2.2976 0.9759 0.9764 4.0654 4.0656 4.1225 4.1228 8.2897 8.2909 8.3738 8.3738 8.4909 8.4926 8.5397 8.5414 8.5741 8.5757 8.6424 8.6425 8.8038 8.8055 8.8740 8.8742 9.3798 9.3823 9.4316 9.4323 9.4434 9.4450 9.4980 9.4981 14.8523 14.8529 15.1759 15.1772 15.6785 15.6788 16.3568 16.3664 k = 0.5084 0.0620-0.0842 ( 3411 PWs) bands (ev): -5.7480 -5.7480 -5.6750 -5.6750 -4.2218 -4.2217 -4.1669 -4.1668 -2.3055 -2.3050 0.9680 0.9684 4.0604 4.0606 4.1177 4.1179 8.3421 8.3430 8.3918 8.3919 8.5028 8.5040 8.5518 8.5532 8.6134 8.6148 8.6569 8.6570 8.8457 8.8470 8.8876 8.8877 9.4102 9.4121 9.4414 9.4414 9.4675 9.4692 9.4999 9.5001 14.8187 14.8191 15.1441 15.1452 15.6565 15.6566 16.3485 16.3546 k = 0.5056 0.0617-0.0443 ( 3418 PWs) bands (ev): -5.7541 -5.7541 -5.6811 -5.6811 -4.2277 -4.2276 -4.1727 -4.1726 -2.3106 -2.3103 0.9624 0.9626 4.0569 4.0570 4.1143 4.1144 8.3794 8.3800 8.4058 8.4059 8.5094 8.5102 8.5584 8.5593 8.6444 8.6455 8.6682 8.6684 8.8755 8.8764 8.8983 8.8984 9.4320 9.4334 9.4486 9.4487 9.4845 9.4858 9.5016 9.5018 14.7936 14.7939 15.1205 15.1212 15.6391 15.6391 16.3382 16.3418 k = 0.5028 0.0613-0.0044 ( 3422 PWs) bands (ev): -5.7578 -5.7578 -5.6848 -5.6848 -4.2312 -4.2311 -4.1762 -4.1762 -2.3137 -2.3135 0.9590 0.9592 4.0548 4.0548 4.1122 4.1123 8.4000 8.4002 8.4167 8.4167 8.5129 8.5133 8.5619 8.5624 8.6619 8.6624 8.6772 8.6772 8.8919 8.8923 8.9068 8.9068 9.4439 9.4446 9.4547 9.4547 9.4933 9.4939 9.5042 9.5042 14.7782 14.7784 15.1060 15.1064 15.6281 15.6281 16.3310 16.3327 k = 0.5000 0.0610 0.0356 ( 3422 PWs) bands (ev): -5.7590 -5.7590 -5.6860 -5.6860 -4.2323 -4.2323 -4.1774 -4.1774 -2.3147 -2.3147 0.9580 0.9580 4.0541 4.0541 4.1116 4.1116 8.4057 8.4057 8.4216 8.4216 8.5141 8.5141 8.5632 8.5632 8.6668 8.6668 8.6812 8.6812 8.8965 8.8965 8.9106 8.9106 9.4474 9.4474 9.4576 9.4576 9.4955 9.4955 9.5059 9.5059 14.7731 14.7731 15.1012 15.1012 15.6243 15.6243 16.3290 16.3290 k = 0.5000-2.0193-1.1774 ( 3440 PWs) bands (ev): -2.4652 -2.4652 -2.1642 -2.1642 -1.9074 -1.9074 -1.1899 -1.1899 -1.1449 -1.1449 1.0440 1.0440 1.5360 1.5360 2.0532 2.0532 2.2504 2.2504 2.6931 2.6931 5.0984 5.0984 5.8491 5.8491 6.1128 6.1128 6.4552 6.4552 6.5291 6.5291 7.0811 7.0811 7.5189 7.5189 7.6216 7.6216 8.0565 8.0565 8.5022 8.5022 11.8169 11.8169 12.0520 12.0520 12.9767 12.9767 13.7783 13.7783 k = 0.5367-2.0125-1.1734 ( 3437 PWs) bands (ev): -2.4647 -2.4647 -2.1667 -2.1666 -1.9043 -1.9042 -1.2051 -1.2048 -1.1310 -1.1307 1.0455 1.0456 1.5296 1.5298 2.0619 2.0619 2.2430 2.2430 2.6980 2.6984 5.0906 5.0926 5.8526 5.8540 6.1105 6.1116 6.4499 6.4499 6.5358 6.5359 7.0878 7.0885 7.4985 7.4985 7.6421 7.6421 8.0517 8.0520 8.5004 8.5004 11.8132 11.8134 12.0532 12.0533 12.9793 12.9794 13.7814 13.7817 k = 0.5733-2.0057-1.1695 ( 3436 PWs) bands (ev): -2.4633 -2.4632 -2.1739 -2.1736 -1.8954 -1.8951 -1.2323 -1.2320 -1.1067 -1.1063 1.0501 1.0503 1.5123 1.5126 2.0861 2.0862 2.2226 2.2227 2.7117 2.7124 5.0708 5.0745 5.8598 5.8624 6.1088 6.1109 6.4379 6.4379 6.5525 6.5525 7.1080 7.1092 7.4580 7.4580 7.6831 7.6831 8.0377 8.0383 8.4952 8.4953 11.8026 11.8030 12.0568 12.0570 12.9869 12.9870 13.7913 13.7918 k = 0.6100-1.9990-1.1655 ( 3438 PWs) bands (ev): -2.4609 -2.4608 -2.1847 -2.1843 -1.8814 -1.8810 -1.2622 -1.2619 -1.0815 -1.0811 1.0578 1.0580 1.4871 1.4874 2.1194 2.1195 2.1957 2.1959 2.7308 2.7318 5.0428 5.0479 5.8585 5.8620 6.1186 6.1215 6.4237 6.4237 6.5742 6.5743 7.1392 7.1409 7.4125 7.4125 7.7294 7.7294 8.0150 8.0159 8.4866 8.4866 11.7859 11.7865 12.0624 12.0627 12.9987 12.9990 13.8083 13.8091 k = 0.6467-1.9922-1.1616 ( 3427 PWs) bands (ev): -2.4575 -2.4575 -2.1980 -2.1975 -1.8635 -1.8631 -1.2932 -1.2930 -1.0573 -1.0568 1.0683 1.0686 1.4575 1.4580 2.1291 2.1293 2.1948 2.1949 2.7514 2.7527 5.0111 5.0173 5.8378 5.8421 6.1493 6.1528 6.4094 6.4095 6.5991 6.5991 7.1786 7.1806 7.3657 7.3658 7.7773 7.7773 7.9842 7.9854 8.4747 8.4747 11.7643 11.7650 12.0698 12.0701 13.0138 13.0141 13.8331 13.8340 k = 0.6833-1.9854-1.1576 ( 3424 PWs) bands (ev): -2.4534 -2.4533 -2.2130 -2.2124 -1.8427 -1.8421 -1.3248 -1.3246 -1.0345 -1.0340 1.0814 1.0818 1.4266 1.4271 2.0939 2.0941 2.2411 2.2412 2.7703 2.7718 4.9799 4.9869 5.7979 5.8028 6.1994 6.2032 6.3960 6.3960 6.6260 6.6261 7.2231 7.2252 7.3189 7.3189 7.8256 7.8256 7.9464 7.9477 8.4594 8.4594 11.7391 11.7400 12.0783 12.0787 13.0310 13.0314 13.8661 13.8671 k = 0.7200-1.9786-1.1537 ( 3428 PWs) bands (ev): -2.4486 -2.4485 -2.2287 -2.2281 -1.8196 -1.8190 -1.3566 -1.3564 -1.0136 -1.0130 1.0970 1.0974 1.3964 1.3969 2.0491 2.0494 2.2990 2.2992 2.7850 2.7866 4.9525 4.9601 5.7453 5.7507 6.2616 6.2655 6.3837 6.3838 6.6547 6.6548 7.2682 7.2700 7.2743 7.2746 7.8737 7.8737 7.9027 7.9043 8.4410 8.4410 11.7119 11.7128 12.0874 12.0878 13.0491 13.0495 13.9075 13.9086 k = 0.7567-1.9719-1.1497 ( 3430 PWs) bands (ev): -2.4432 -2.4431 -2.2444 -2.2438 -1.7951 -1.7944 -1.3885 -1.3883 -0.9948 -0.9942 1.1144 1.1149 1.3684 1.3689 2.0026 2.0029 2.3608 2.3612 2.7934 2.7952 4.9315 4.9393 5.6857 5.6914 6.3291 6.3330 6.3729 6.3731 6.6848 6.6849 7.2264 7.2265 7.3176 7.3195 7.8546 7.8563 7.9215 7.9215 8.4195 8.4195 11.6840 11.6850 12.0966 12.0970 13.0672 13.0677 13.9573 13.9583 k = 0.7933-1.9651-1.1458 ( 3433 PWs) bands (ev): -2.4376 -2.4374 -2.2595 -2.2589 -1.7695 -1.7688 -1.4201 -1.4199 -0.9784 -0.9778 1.1333 1.1338 1.3438 1.3443 1.9565 1.9570 2.4241 2.4246 2.7946 2.7964 4.9184 4.9265 5.6230 5.6289 6.3630 6.3632 6.3979 6.4012 6.7161 6.7162 7.1817 7.1818 7.3634 7.3650 7.8043 7.8061 7.9685 7.9685 8.3952 8.3952 11.6569 11.6579 12.1053 12.1057 13.0846 13.0851 14.0146 14.0156 k = 0.8300-1.9583-1.1418 ( 3437 PWs) bands (ev): -2.4320 -2.4319 -2.2734 -2.2728 -1.7435 -1.7428 -1.4510 -1.4508 -0.9646 -0.9641 1.1528 1.1533 1.3234 1.3239 1.9127 1.9131 2.4870 2.4877 2.7879 2.7897 4.9143 4.9223 5.5602 5.5663 6.3554 6.3554 6.4620 6.4650 6.7482 6.7483 7.1384 7.1384 7.4065 7.4079 7.7540 7.7557 8.0144 8.0144 8.3682 8.3682 11.6319 11.6328 12.1131 12.1134 13.1005 13.1010 14.0783 14.0792 Writing output data file SiC.save init_run : 0.68s CPU 1.10s WALL ( 1 calls) electrons : 2019.70s CPU 2031.36s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.08s WALL ( 1 calls) potinit : 0.25s CPU 0.32s WALL ( 1 calls) Called by electrons: c_bands : 2019.70s CPU 2031.33s WALL ( 1 calls) v_of_rho : 0.09s CPU 0.11s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.08s CPU 0.10s WALL ( 1 calls) newd : 0.07s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.03s WALL ( 361 calls) cegterg : 1845.98s CPU 1856.23s WALL ( 869 calls) Called by sum_band: Called by *egterg: h_psi : 1859.20s CPU 1874.55s WALL ( 14579 calls) s_psi : 9.93s CPU 10.00s WALL ( 14579 calls) g_psi : 0.33s CPU 0.42s WALL ( 13349 calls) cdiaghg : 105.47s CPU 101.71s WALL ( 13710 calls) cegterg:over : 16.06s CPU 14.36s WALL ( 13349 calls) cegterg:upda : 3.72s CPU 7.04s WALL ( 13349 calls) cegterg:last : 4.07s CPU 4.96s WALL ( 2221 calls) Called by h_psi: h_psi:vloc : 1840.35s CPU 1855.05s WALL ( 14579 calls) h_psi:vnl : 18.64s CPU 19.04s WALL ( 14579 calls) add_vuspsi : 5.66s CPU 7.66s WALL ( 14579 calls) General routines calbec : 12.85s CPU 11.24s WALL ( 14579 calls) fft : 0.11s CPU 0.15s WALL ( 19 calls) ffts : 0.01s CPU 0.02s WALL ( 4 calls) fftw : 1524.39s CPU 1522.83s WALL ( 1290636 calls) interpolate : 0.04s CPU 0.04s WALL ( 4 calls) davcio : 0.04s CPU 0.22s WALL ( 722 calls) Parallel routines fft_scatter : 653.46s CPU 614.11s WALL ( 1290659 calls) PWSCF : 34m 3.14s CPU 34m49.86s WALL This run was terminated on: 7:14:39 28Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=