Program PWSCF v.5.1.1 starts on 8Oct2015 at 17:42:34 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./AgNO2.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 36 21 6 777 335 55 Max 37 22 7 782 355 57 Sum 1773 1033 299 37471 16591 2661 bravais-lattice index = 14 lattice parameter (alat) = 8.3117 a.u. unit-cell volume = 380.6577 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.311741 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.678308 celldm(5)= -0.306237 celldm(6)= -0.015455 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.015455 0.999881 0.000000 ) a(3) = ( -0.306237 -0.683122 0.662995 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.015457 0.477826 ) b(2) = ( 0.000000 1.000119 1.030480 ) b(3) = ( 0.000000 0.000000 1.508306 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 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. # 3 for Ag read from file: /home/autes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) N 5.00 14.00670 N( 1.00) Ag 11.00 107.86820 Ag( 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= 446 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022422 k( 2) = ( -0.0055281 0.0054433 0.0113932), wk = 0.0022422 k( 3) = ( -0.0110562 0.0108866 0.0227864), wk = 0.0022422 k( 4) = ( -0.0165843 0.0163299 0.0341795), wk = 0.0022422 k( 5) = ( -0.0221124 0.0217732 0.0455727), wk = 0.0022422 k( 6) = ( -0.0276405 0.0272165 0.0569659), wk = 0.0022422 k( 7) = ( -0.0331686 0.0326598 0.0683591), wk = 0.0022422 k( 8) = ( -0.0386966 0.0381031 0.0797523), wk = 0.0022422 k( 9) = ( -0.0442247 0.0435464 0.0911454), wk = 0.0022422 k( 10) = ( -0.0497528 0.0489898 0.1025386), wk = 0.0022422 k( 11) = ( -0.0552809 0.0544331 0.1139318), wk = 0.0022422 k( 12) = ( -0.0608090 0.0598764 0.1253250), wk = 0.0022422 k( 13) = ( -0.0663371 0.0653197 0.1367182), wk = 0.0022422 k( 14) = ( -0.0718652 0.0707630 0.1481114), wk = 0.0022422 k( 15) = ( -0.0773933 0.0762063 0.1595045), wk = 0.0022422 k( 16) = ( -0.0829214 0.0816496 0.1708977), wk = 0.0022422 k( 17) = ( -0.0884495 0.0870929 0.1822909), wk = 0.0022422 k( 18) = ( -0.0939776 0.0925362 0.1936841), wk = 0.0022422 k( 19) = ( -0.0995057 0.0979795 0.2050773), wk = 0.0022422 k( 20) = ( -0.1050338 0.1034228 0.2164704), wk = 0.0022422 k( 21) = ( -0.1105619 0.1088661 0.2278636), wk = 0.0022422 k( 22) = ( -0.1160899 0.1143094 0.2392568), wk = 0.0022422 k( 23) = ( -0.1216180 0.1197527 0.2506500), wk = 0.0022422 k( 24) = ( -0.1271461 0.1251960 0.2620431), wk = 0.0022422 k( 25) = ( -0.1326742 0.1306393 0.2734363), wk = 0.0022422 k( 26) = ( -0.1382023 0.1360826 0.2848295), wk = 0.0022422 k( 27) = ( -0.1437304 0.1415260 0.2962227), wk = 0.0022422 k( 28) = ( -0.1492585 0.1469693 0.3076159), wk = 0.0022422 k( 29) = ( -0.1547866 0.1524126 0.3190091), wk = 0.0022422 k( 30) = ( -0.1603147 0.1578559 0.3304022), wk = 0.0022422 k( 31) = ( -0.1658428 0.1632992 0.3417954), wk = 0.0022422 k( 32) = ( -0.1713709 0.1687425 0.3531886), wk = 0.0022422 k( 33) = ( -0.1768990 0.1741858 0.3645818), wk = 0.0022422 k( 34) = ( -0.1824271 0.1796291 0.3759750), wk = 0.0022422 k( 35) = ( -0.1879551 0.1850724 0.3873681), wk = 0.0022422 k( 36) = ( -0.1934832 0.1905157 0.3987613), wk = 0.0022422 k( 37) = ( -0.1990113 0.1959590 0.4101545), wk = 0.0022422 k( 38) = ( -0.2045394 0.2014023 0.4215477), wk = 0.0022422 k( 39) = ( -0.2100675 0.2068456 0.4329409), wk = 0.0022422 k( 40) = ( -0.2155956 0.2122889 0.4443340), wk = 0.0022422 k( 41) = ( -0.2211237 0.2177322 0.4557272), wk = 0.0022422 k( 42) = ( -0.2266518 0.2231755 0.4671204), wk = 0.0022422 k( 43) = ( -0.2321799 0.2286189 0.4785136), wk = 0.0022422 k( 44) = ( -0.2377080 0.2340622 0.4899068), wk = 0.0022422 k( 45) = ( -0.2432361 0.2395055 0.5012999), wk = 0.0022422 k( 46) = ( -0.2487642 0.2449488 0.5126931), wk = 0.0022422 k( 47) = ( -0.2542923 0.2503921 0.5240863), wk = 0.0022422 k( 48) = ( -0.2598204 0.2558354 0.5354795), wk = 0.0022422 k( 49) = ( -0.2653485 0.2612787 0.5468727), wk = 0.0022422 k( 50) = ( -0.2708765 0.2667220 0.5582659), wk = 0.0022422 k( 51) = ( -0.2764046 0.2721653 0.5696590), wk = 0.0022422 k( 52) = ( -0.2819327 0.2776086 0.5810522), wk = 0.0022422 k( 53) = ( -0.2874608 0.2830519 0.5924454), wk = 0.0022422 k( 54) = ( -0.2929889 0.2884952 0.6038386), wk = 0.0022422 k( 55) = ( -0.2985170 0.2939385 0.6152318), wk = 0.0022422 k( 56) = ( -0.3040451 0.2993818 0.6266249), wk = 0.0022422 k( 57) = ( -0.3095732 0.3048251 0.6380181), wk = 0.0022422 k( 58) = ( -0.3151013 0.3102684 0.6494113), wk = 0.0022422 k( 59) = ( -0.3206294 0.3157117 0.6608045), wk = 0.0022422 k( 60) = ( -0.3261575 0.3211550 0.6721976), wk = 0.0022422 k( 61) = ( -0.3316856 0.3265984 0.6835908), wk = 0.0022422 k( 62) = ( -0.3316856 0.3265984 0.6835908), wk = 0.0022422 k( 63) = ( -0.3234815 0.3185201 0.6914311), wk = 0.0022422 k( 64) = ( -0.3152774 0.3104418 0.6992713), wk = 0.0022422 k( 65) = ( -0.3070733 0.3023636 0.7071116), wk = 0.0022422 k( 66) = ( -0.2988692 0.2942853 0.7149518), wk = 0.0022422 k( 67) = ( -0.2906652 0.2862071 0.7227921), wk = 0.0022422 k( 68) = ( -0.2824611 0.2781288 0.7306323), wk = 0.0022422 k( 69) = ( -0.2742570 0.2700506 0.7384726), wk = 0.0022422 k( 70) = ( -0.2660529 0.2619723 0.7463128), wk = 0.0022422 k( 71) = ( -0.2578488 0.2538941 0.7541530), wk = 0.0022422 k( 72) = ( -0.2578488 0.2538941 0.7541530), wk = 0.0022422 k( 73) = ( -0.2479316 0.2441289 0.7541530), wk = 0.0022422 k( 74) = ( -0.2380143 0.2343638 0.7541530), wk = 0.0022422 k( 75) = ( -0.2280970 0.2245986 0.7541530), wk = 0.0022422 k( 76) = ( -0.2181798 0.2148335 0.7541530), wk = 0.0022422 k( 77) = ( -0.2082625 0.2050683 0.7541530), wk = 0.0022422 k( 78) = ( -0.1983453 0.1953031 0.7541530), wk = 0.0022422 k( 79) = ( -0.1884280 0.1855380 0.7541530), wk = 0.0022422 k( 80) = ( -0.1785107 0.1757728 0.7541530), wk = 0.0022422 k( 81) = ( -0.1685935 0.1660077 0.7541530), wk = 0.0022422 k( 82) = ( -0.1586762 0.1562425 0.7541530), wk = 0.0022422 k( 83) = ( -0.1487589 0.1464774 0.7541530), wk = 0.0022422 k( 84) = ( -0.1388417 0.1367122 0.7541530), wk = 0.0022422 k( 85) = ( -0.1289244 0.1269470 0.7541530), wk = 0.0022422 k( 86) = ( -0.1190072 0.1171819 0.7541530), wk = 0.0022422 k( 87) = ( -0.1090899 0.1074167 0.7541530), wk = 0.0022422 k( 88) = ( -0.0991726 0.0976516 0.7541530), wk = 0.0022422 k( 89) = ( -0.0892554 0.0878864 0.7541530), wk = 0.0022422 k( 90) = ( -0.0793381 0.0781213 0.7541530), wk = 0.0022422 k( 91) = ( -0.0694208 0.0683561 0.7541530), wk = 0.0022422 k( 92) = ( -0.0595036 0.0585909 0.7541530), wk = 0.0022422 k( 93) = ( -0.0495863 0.0488258 0.7541530), wk = 0.0022422 k( 94) = ( -0.0396690 0.0390606 0.7541530), wk = 0.0022422 k( 95) = ( -0.0297518 0.0292955 0.7541530), wk = 0.0022422 k( 96) = ( -0.0198345 0.0195303 0.7541530), wk = 0.0022422 k( 97) = ( -0.0099173 0.0097652 0.7541530), wk = 0.0022422 k( 98) = ( 0.0000000 0.0000000 0.7541530), wk = 0.0022422 k( 99) = ( 0.0000000 0.0000000 0.7541530), wk = 0.0022422 k( 100) = ( 0.0096154 0.0097652 0.7541530), wk = 0.0022422 k( 101) = ( 0.0192308 0.0195303 0.7541530), wk = 0.0022422 k( 102) = ( 0.0288462 0.0292955 0.7541530), wk = 0.0022422 k( 103) = ( 0.0384615 0.0390606 0.7541530), wk = 0.0022422 k( 104) = ( 0.0480769 0.0488258 0.7541530), wk = 0.0022422 k( 105) = ( 0.0576923 0.0585909 0.7541530), wk = 0.0022422 k( 106) = ( 0.0673077 0.0683561 0.7541530), wk = 0.0022422 k( 107) = ( 0.0769231 0.0781213 0.7541530), wk = 0.0022422 k( 108) = ( 0.0865385 0.0878864 0.7541530), wk = 0.0022422 k( 109) = ( 0.0961538 0.0976516 0.7541530), wk = 0.0022422 k( 110) = ( 0.1057692 0.1074167 0.7541530), wk = 0.0022422 k( 111) = ( 0.1153846 0.1171819 0.7541530), wk = 0.0022422 k( 112) = ( 0.1250000 0.1269470 0.7541530), wk = 0.0022422 k( 113) = ( 0.1346154 0.1367122 0.7541530), wk = 0.0022422 k( 114) = ( 0.1442308 0.1464774 0.7541530), wk = 0.0022422 k( 115) = ( 0.1538461 0.1562425 0.7541530), wk = 0.0022422 k( 116) = ( 0.1634615 0.1660077 0.7541530), wk = 0.0022422 k( 117) = ( 0.1730769 0.1757728 0.7541530), wk = 0.0022422 k( 118) = ( 0.1826923 0.1855380 0.7541530), wk = 0.0022422 k( 119) = ( 0.1923077 0.1953031 0.7541530), wk = 0.0022422 k( 120) = ( 0.2019231 0.2050683 0.7541530), wk = 0.0022422 k( 121) = ( 0.2115385 0.2148335 0.7541530), wk = 0.0022422 k( 122) = ( 0.2211539 0.2245986 0.7541530), wk = 0.0022422 k( 123) = ( 0.2307692 0.2343638 0.7541530), wk = 0.0022422 k( 124) = ( 0.2403846 0.2441289 0.7541530), wk = 0.0022422 k( 125) = ( 0.2500000 0.2538941 0.7541530), wk = 0.0022422 k( 126) = ( 0.2500000 0.2538941 0.7541530), wk = 0.0022422 k( 127) = ( 0.2419355 0.2618349 0.7464462), wk = 0.0022422 k( 128) = ( 0.2338710 0.2697757 0.7387393), wk = 0.0022422 k( 129) = ( 0.2258064 0.2777166 0.7310324), wk = 0.0022422 k( 130) = ( 0.2177419 0.2856574 0.7233256), wk = 0.0022422 k( 131) = ( 0.2096774 0.2935982 0.7156187), wk = 0.0022422 k( 132) = ( 0.2016129 0.3015391 0.7079118), wk = 0.0022422 k( 133) = ( 0.1935484 0.3094799 0.7002050), wk = 0.0022422 k( 134) = ( 0.1854839 0.3174207 0.6924981), wk = 0.0022422 k( 135) = ( 0.1774194 0.3253615 0.6847912), wk = 0.0022422 k( 136) = ( 0.1693548 0.3333024 0.6770844), wk = 0.0022422 k( 137) = ( 0.1612903 0.3412432 0.6693775), wk = 0.0022422 k( 138) = ( 0.1532258 0.3491840 0.6616706), wk = 0.0022422 k( 139) = ( 0.1451613 0.3571248 0.6539637), wk = 0.0022422 k( 140) = ( 0.1370968 0.3650657 0.6462569), wk = 0.0022422 k( 141) = ( 0.1290323 0.3730065 0.6385500), wk = 0.0022422 k( 142) = ( 0.1209677 0.3809473 0.6308431), wk = 0.0022422 k( 143) = ( 0.1129032 0.3888881 0.6231363), wk = 0.0022422 k( 144) = ( 0.1048387 0.3968290 0.6154294), wk = 0.0022422 k( 145) = ( 0.0967742 0.4047698 0.6077225), wk = 0.0022422 k( 146) = ( 0.0887097 0.4127106 0.6000157), wk = 0.0022422 k( 147) = ( 0.0806452 0.4206515 0.5923088), wk = 0.0022422 k( 148) = ( 0.0725806 0.4285923 0.5846019), wk = 0.0022422 k( 149) = ( 0.0645161 0.4365331 0.5768951), wk = 0.0022422 k( 150) = ( 0.0564516 0.4444739 0.5691882), wk = 0.0022422 k( 151) = ( 0.0483871 0.4524148 0.5614813), wk = 0.0022422 k( 152) = ( 0.0403226 0.4603556 0.5537745), wk = 0.0022422 k( 153) = ( 0.0322581 0.4682964 0.5460676), wk = 0.0022422 k( 154) = ( 0.0241936 0.4762372 0.5383607), wk = 0.0022422 k( 155) = ( 0.0161290 0.4841781 0.5306538), wk = 0.0022422 k( 156) = ( 0.0080645 0.4921189 0.5229470), wk = 0.0022422 k( 157) = ( 0.0000000 0.5000597 0.5152401), wk = 0.0022422 k( 158) = ( 0.0000000 0.5000597 0.5152401), wk = 0.0022422 k( 159) = ( 0.0110562 0.5058418 0.5096284), wk = 0.0022422 k( 160) = ( 0.0221124 0.5116238 0.5040167), wk = 0.0022422 k( 161) = ( 0.0331686 0.5174059 0.4984050), wk = 0.0022422 k( 162) = ( 0.0442247 0.5231879 0.4927933), wk = 0.0022422 k( 163) = ( 0.0552809 0.5289700 0.4871817), wk = 0.0022422 k( 164) = ( 0.0663371 0.5347520 0.4815700), wk = 0.0022422 k( 165) = ( 0.0773933 0.5405340 0.4759583), wk = 0.0022422 k( 166) = ( 0.0884495 0.5463161 0.4703466), wk = 0.0022422 k( 167) = ( 0.0995057 0.5520981 0.4647349), wk = 0.0022422 k( 168) = ( 0.1105619 0.5578802 0.4591232), wk = 0.0022422 k( 169) = ( 0.1216180 0.5636622 0.4535115), wk = 0.0022422 k( 170) = ( 0.1326742 0.5694443 0.4478998), wk = 0.0022422 k( 171) = ( 0.1437304 0.5752263 0.4422881), wk = 0.0022422 k( 172) = ( 0.1547866 0.5810084 0.4366764), wk = 0.0022422 k( 173) = ( 0.1658428 0.5867904 0.4310648), wk = 0.0022422 k( 174) = ( 0.1768990 0.5925725 0.4254531), wk = 0.0022422 k( 175) = ( 0.1879551 0.5983545 0.4198414), wk = 0.0022422 k( 176) = ( 0.1990113 0.6041365 0.4142297), wk = 0.0022422 k( 177) = ( 0.2100675 0.6099186 0.4086180), wk = 0.0022422 k( 178) = ( 0.2211237 0.6157006 0.4030063), wk = 0.0022422 k( 179) = ( 0.2321799 0.6214827 0.3973946), wk = 0.0022422 k( 180) = ( 0.2432361 0.6272647 0.3917829), wk = 0.0022422 k( 181) = ( 0.2542923 0.6330468 0.3861712), wk = 0.0022422 k( 182) = ( 0.2653485 0.6388288 0.3805595), wk = 0.0022422 k( 183) = ( 0.2764046 0.6446109 0.3749478), wk = 0.0022422 k( 184) = ( 0.2874608 0.6503929 0.3693362), wk = 0.0022422 k( 185) = ( 0.2985170 0.6561750 0.3637245), wk = 0.0022422 k( 186) = ( 0.3095732 0.6619570 0.3581128), wk = 0.0022422 k( 187) = ( 0.3206294 0.6677390 0.3525011), wk = 0.0022422 k( 188) = ( 0.3316856 0.6735211 0.3468894), wk = 0.0022422 k( 189) = ( 0.3316856 0.6735211 0.3468894), wk = 0.0022422 k( 190) = ( 0.3372961 0.6679967 0.3353264), wk = 0.0022422 k( 191) = ( 0.3429065 0.6624722 0.3237634), wk = 0.0022422 k( 192) = ( 0.3485170 0.6569478 0.3122005), wk = 0.0022422 k( 193) = ( 0.3541275 0.6514234 0.3006375), wk = 0.0022422 k( 194) = ( 0.3597380 0.6458989 0.2890745), wk = 0.0022422 k( 195) = ( 0.3653484 0.6403745 0.2775115), wk = 0.0022422 k( 196) = ( 0.3709589 0.6348501 0.2659485), wk = 0.0022422 k( 197) = ( 0.3765694 0.6293256 0.2543855), wk = 0.0022422 k( 198) = ( 0.3821799 0.6238012 0.2428226), wk = 0.0022422 k( 199) = ( 0.3877904 0.6182768 0.2312596), wk = 0.0022422 k( 200) = ( 0.3934009 0.6127524 0.2196966), wk = 0.0022422 k( 201) = ( 0.3990113 0.6072279 0.2081336), wk = 0.0022422 k( 202) = ( 0.4046218 0.6017035 0.1965707), wk = 0.0022422 k( 203) = ( 0.4102323 0.5961791 0.1850077), wk = 0.0022422 k( 204) = ( 0.4158428 0.5906546 0.1734447), wk = 0.0022422 k( 205) = ( 0.4214533 0.5851302 0.1618817), wk = 0.0022422 k( 206) = ( 0.4270638 0.5796058 0.1503187), wk = 0.0022422 k( 207) = ( 0.4326742 0.5740813 0.1387557), wk = 0.0022422 k( 208) = ( 0.4382847 0.5685569 0.1271928), wk = 0.0022422 k( 209) = ( 0.4438952 0.5630325 0.1156298), wk = 0.0022422 k( 210) = ( 0.4495057 0.5575081 0.1040668), wk = 0.0022422 k( 211) = ( 0.4551161 0.5519836 0.0925038), wk = 0.0022422 k( 212) = ( 0.4607266 0.5464592 0.0809409), wk = 0.0022422 k( 213) = ( 0.4663371 0.5409348 0.0693779), wk = 0.0022422 k( 214) = ( 0.4719476 0.5354103 0.0578149), wk = 0.0022422 k( 215) = ( 0.4775581 0.5298859 0.0462519), wk = 0.0022422 k( 216) = ( 0.4831686 0.5243615 0.0346889), wk = 0.0022422 k( 217) = ( 0.4887790 0.5188370 0.0231260), wk = 0.0022422 k( 218) = ( 0.4943895 0.5133126 0.0115630), wk = 0.0022422 k( 219) = ( 0.5000000 0.5077882 -0.0000000), wk = 0.0022422 k( 220) = ( 0.5000000 0.5077882 -0.0000000), wk = 0.0022422 k( 221) = ( 0.4901961 0.4978315 -0.0000000), wk = 0.0022422 k( 222) = ( 0.4803922 0.4878749 -0.0000000), wk = 0.0022422 k( 223) = ( 0.4705882 0.4779183 -0.0000000), wk = 0.0022422 k( 224) = ( 0.4607843 0.4679617 -0.0000000), wk = 0.0022422 k( 225) = ( 0.4509804 0.4580050 -0.0000000), wk = 0.0022422 k( 226) = ( 0.4411765 0.4480484 -0.0000000), wk = 0.0022422 k( 227) = ( 0.4313726 0.4380918 -0.0000000), wk = 0.0022422 k( 228) = ( 0.4215686 0.4281351 -0.0000000), wk = 0.0022422 k( 229) = ( 0.4117647 0.4181785 -0.0000000), wk = 0.0022422 k( 230) = ( 0.4019608 0.4082219 -0.0000000), wk = 0.0022422 k( 231) = ( 0.3921569 0.3982652 -0.0000000), wk = 0.0022422 k( 232) = ( 0.3823529 0.3883086 -0.0000000), wk = 0.0022422 k( 233) = ( 0.3725490 0.3783520 -0.0000000), wk = 0.0022422 k( 234) = ( 0.3627451 0.3683953 -0.0000000), wk = 0.0022422 k( 235) = ( 0.3529412 0.3584387 -0.0000000), wk = 0.0022422 k( 236) = ( 0.3431373 0.3484821 -0.0000000), wk = 0.0022422 k( 237) = ( 0.3333333 0.3385254 -0.0000000), wk = 0.0022422 k( 238) = ( 0.3235294 0.3285688 -0.0000000), wk = 0.0022422 k( 239) = ( 0.3137255 0.3186122 -0.0000000), wk = 0.0022422 k( 240) = ( 0.3039216 0.3086556 -0.0000000), wk = 0.0022422 k( 241) = ( 0.2941177 0.2986989 -0.0000000), wk = 0.0022422 k( 242) = ( 0.2843137 0.2887423 -0.0000000), wk = 0.0022422 k( 243) = ( 0.2745098 0.2787857 -0.0000000), wk = 0.0022422 k( 244) = ( 0.2647059 0.2688290 -0.0000000), wk = 0.0022422 k( 245) = ( 0.2549020 0.2588724 -0.0000000), wk = 0.0022422 k( 246) = ( 0.2450980 0.2489158 -0.0000000), wk = 0.0022422 k( 247) = ( 0.2352941 0.2389591 -0.0000000), wk = 0.0022422 k( 248) = ( 0.2254902 0.2290025 -0.0000000), wk = 0.0022422 k( 249) = ( 0.2156863 0.2190459 -0.0000000), wk = 0.0022422 k( 250) = ( 0.2058823 0.2090892 -0.0000000), wk = 0.0022422 k( 251) = ( 0.1960784 0.1991326 -0.0000000), wk = 0.0022422 k( 252) = ( 0.1862745 0.1891760 -0.0000000), wk = 0.0022422 k( 253) = ( 0.1764706 0.1792194 -0.0000000), wk = 0.0022422 k( 254) = ( 0.1666667 0.1692627 -0.0000000), wk = 0.0022422 k( 255) = ( 0.1568627 0.1593061 -0.0000000), wk = 0.0022422 k( 256) = ( 0.1470588 0.1493495 -0.0000000), wk = 0.0022422 k( 257) = ( 0.1372549 0.1393928 -0.0000000), wk = 0.0022422 k( 258) = ( 0.1274510 0.1294362 -0.0000000), wk = 0.0022422 k( 259) = ( 0.1176471 0.1194796 -0.0000000), wk = 0.0022422 k( 260) = ( 0.1078431 0.1095229 -0.0000000), wk = 0.0022422 k( 261) = ( 0.0980392 0.0995663 -0.0000000), wk = 0.0022422 k( 262) = ( 0.0882353 0.0896097 -0.0000000), wk = 0.0022422 k( 263) = ( 0.0784314 0.0796530 -0.0000000), wk = 0.0022422 k( 264) = ( 0.0686275 0.0696964 -0.0000000), wk = 0.0022422 k( 265) = ( 0.0588235 0.0597398 -0.0000000), wk = 0.0022422 k( 266) = ( 0.0490196 0.0497832 -0.0000000), wk = 0.0022422 k( 267) = ( 0.0392157 0.0398265 -0.0000000), wk = 0.0022422 k( 268) = ( 0.0294118 0.0298699 -0.0000000), wk = 0.0022422 k( 269) = ( 0.0196078 0.0199133 -0.0000000), wk = 0.0022422 k( 270) = ( 0.0098039 0.0099566 -0.0000000), wk = 0.0022422 k( 271) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022422 k( 272) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022422 k( 273) = ( 0.0081954 -0.0080698 0.0078320), wk = 0.0022422 k( 274) = ( 0.0163909 -0.0161395 0.0156640), wk = 0.0022422 k( 275) = ( 0.0245863 -0.0242092 0.0234960), wk = 0.0022422 k( 276) = ( 0.0327818 -0.0322790 0.0313280), wk = 0.0022422 k( 277) = ( 0.0409772 -0.0403488 0.0391600), wk = 0.0022422 k( 278) = ( 0.0491727 -0.0484185 0.0469920), wk = 0.0022422 k( 279) = ( 0.0573681 -0.0564882 0.0548239), wk = 0.0022422 k( 280) = ( 0.0655636 -0.0645580 0.0626559), wk = 0.0022422 k( 281) = ( 0.0737590 -0.0726278 0.0704879), wk = 0.0022422 k( 282) = ( 0.0819545 -0.0806975 0.0783199), wk = 0.0022422 k( 283) = ( 0.0901499 -0.0887672 0.0861519), wk = 0.0022422 k( 284) = ( 0.0983454 -0.0968370 0.0939839), wk = 0.0022422 k( 285) = ( 0.1065408 -0.1049068 0.1018159), wk = 0.0022422 k( 286) = ( 0.1147363 -0.1129765 0.1096479), wk = 0.0022422 k( 287) = ( 0.1229317 -0.1210463 0.1174799), wk = 0.0022422 k( 288) = ( 0.1311272 -0.1291160 0.1253119), wk = 0.0022422 k( 289) = ( 0.1393226 -0.1371858 0.1331439), wk = 0.0022422 k( 290) = ( 0.1475181 -0.1452555 0.1409759), wk = 0.0022422 k( 291) = ( 0.1557135 -0.1533253 0.1488079), wk = 0.0022422 k( 292) = ( 0.1639089 -0.1613950 0.1566399), wk = 0.0022422 k( 293) = ( 0.1721044 -0.1694648 0.1644719), wk = 0.0022422 k( 294) = ( 0.1802998 -0.1775345 0.1723038), wk = 0.0022422 k( 295) = ( 0.1884953 -0.1856043 0.1801358), wk = 0.0022422 k( 296) = ( 0.1966907 -0.1936740 0.1879678), wk = 0.0022422 k( 297) = ( 0.2048862 -0.2017438 0.1957998), wk = 0.0022422 k( 298) = ( 0.2130816 -0.2098135 0.2036318), wk = 0.0022422 k( 299) = ( 0.2212771 -0.2178833 0.2114638), wk = 0.0022422 k( 300) = ( 0.2294725 -0.2259530 0.2192958), wk = 0.0022422 k( 301) = ( 0.2376680 -0.2340228 0.2271278), wk = 0.0022422 k( 302) = ( 0.2458634 -0.2420925 0.2349598), wk = 0.0022422 k( 303) = ( 0.2540589 -0.2501623 0.2427918), wk = 0.0022422 k( 304) = ( 0.2622543 -0.2582320 0.2506238), wk = 0.0022422 k( 305) = ( 0.2704498 -0.2663018 0.2584558), wk = 0.0022422 k( 306) = ( 0.2786452 -0.2743715 0.2662878), wk = 0.0022422 k( 307) = ( 0.2868407 -0.2824413 0.2741198), wk = 0.0022422 k( 308) = ( 0.2950361 -0.2905110 0.2819518), wk = 0.0022422 k( 309) = ( 0.3032316 -0.2985808 0.2897837), wk = 0.0022422 k( 310) = ( 0.3114270 -0.3066505 0.2976157), wk = 0.0022422 k( 311) = ( 0.3196225 -0.3147203 0.3054477), wk = 0.0022422 k( 312) = ( 0.3278179 -0.3227900 0.3132797), wk = 0.0022422 k( 313) = ( 0.3360133 -0.3308598 0.3211117), wk = 0.0022422 k( 314) = ( 0.3442088 -0.3389295 0.3289437), wk = 0.0022422 k( 315) = ( 0.3524042 -0.3469993 0.3367757), wk = 0.0022422 k( 316) = ( 0.3605997 -0.3550690 0.3446077), wk = 0.0022422 k( 317) = ( 0.3687951 -0.3631388 0.3524397), wk = 0.0022422 k( 318) = ( 0.3769906 -0.3712085 0.3602717), wk = 0.0022422 k( 319) = ( 0.3851860 -0.3792783 0.3681037), wk = 0.0022422 k( 320) = ( 0.3933815 -0.3873480 0.3759357), wk = 0.0022422 k( 321) = ( 0.4015769 -0.3954178 0.3837677), wk = 0.0022422 k( 322) = ( 0.4097724 -0.4034875 0.3915997), wk = 0.0022422 k( 323) = ( 0.4179678 -0.4115573 0.3994316), wk = 0.0022422 k( 324) = ( 0.4261633 -0.4196270 0.4072636), wk = 0.0022422 k( 325) = ( 0.4261633 -0.4196270 0.4072636), wk = 0.0022422 k( 326) = ( 0.4283349 -0.4070577 0.4023122), wk = 0.0022422 k( 327) = ( 0.4305066 -0.3944885 0.3973607), wk = 0.0022422 k( 328) = ( 0.4326783 -0.3819192 0.3924092), wk = 0.0022422 k( 329) = ( 0.4348499 -0.3693499 0.3874577), wk = 0.0022422 k( 330) = ( 0.4370216 -0.3567806 0.3825062), wk = 0.0022422 k( 331) = ( 0.4391933 -0.3442113 0.3775547), wk = 0.0022422 k( 332) = ( 0.4413649 -0.3316421 0.3726032), wk = 0.0022422 k( 333) = ( 0.4435366 -0.3190728 0.3676517), wk = 0.0022422 k( 334) = ( 0.4457083 -0.3065035 0.3627002), wk = 0.0022422 k( 335) = ( 0.4478800 -0.2939342 0.3577487), wk = 0.0022422 k( 336) = ( 0.4500516 -0.2813649 0.3527972), wk = 0.0022422 k( 337) = ( 0.4522233 -0.2687957 0.3478457), wk = 0.0022422 k( 338) = ( 0.4543950 -0.2562264 0.3428942), wk = 0.0022422 k( 339) = ( 0.4565666 -0.2436571 0.3379428), wk = 0.0022422 k( 340) = ( 0.4587383 -0.2310878 0.3329913), wk = 0.0022422 k( 341) = ( 0.4609100 -0.2185186 0.3280398), wk = 0.0022422 k( 342) = ( 0.4630816 -0.2059493 0.3230883), wk = 0.0022422 k( 343) = ( 0.4652533 -0.1933800 0.3181368), wk = 0.0022422 k( 344) = ( 0.4674250 -0.1808107 0.3131853), wk = 0.0022422 k( 345) = ( 0.4695966 -0.1682414 0.3082338), wk = 0.0022422 k( 346) = ( 0.4717683 -0.1556722 0.3032823), wk = 0.0022422 k( 347) = ( 0.4739400 -0.1431029 0.2983308), wk = 0.0022422 k( 348) = ( 0.4761116 -0.1305336 0.2933793), wk = 0.0022422 k( 349) = ( 0.4782833 -0.1179643 0.2884278), wk = 0.0022422 k( 350) = ( 0.4804550 -0.1053950 0.2834763), wk = 0.0022422 k( 351) = ( 0.4826266 -0.0928258 0.2785249), wk = 0.0022422 k( 352) = ( 0.4847983 -0.0802565 0.2735734), wk = 0.0022422 k( 353) = ( 0.4869700 -0.0676872 0.2686219), wk = 0.0022422 k( 354) = ( 0.4891417 -0.0551179 0.2636704), wk = 0.0022422 k( 355) = ( 0.4913133 -0.0425487 0.2587189), wk = 0.0022422 k( 356) = ( 0.4934850 -0.0299794 0.2537674), wk = 0.0022422 k( 357) = ( 0.4956567 -0.0174101 0.2488159), wk = 0.0022422 k( 358) = ( 0.4978283 -0.0048408 0.2438644), wk = 0.0022422 k( 359) = ( 0.5000000 0.0077285 0.2389129), wk = 0.0022422 k( 360) = ( 0.5000000 0.0077285 0.2389129), wk = 0.0022422 k( 361) = ( 0.4944444 0.0131988 0.2503627), wk = 0.0022422 k( 362) = ( 0.4888889 0.0186691 0.2618125), wk = 0.0022422 k( 363) = ( 0.4833333 0.0241395 0.2732623), wk = 0.0022422 k( 364) = ( 0.4777778 0.0296098 0.2847120), wk = 0.0022422 k( 365) = ( 0.4722222 0.0350802 0.2961618), wk = 0.0022422 k( 366) = ( 0.4666667 0.0405505 0.3076116), wk = 0.0022422 k( 367) = ( 0.4611111 0.0460209 0.3190614), wk = 0.0022422 k( 368) = ( 0.4555556 0.0514912 0.3305112), wk = 0.0022422 k( 369) = ( 0.4500000 0.0569616 0.3419609), wk = 0.0022422 k( 370) = ( 0.4444444 0.0624319 0.3534107), wk = 0.0022422 k( 371) = ( 0.4388889 0.0679023 0.3648605), wk = 0.0022422 k( 372) = ( 0.4333333 0.0733726 0.3763103), wk = 0.0022422 k( 373) = ( 0.4277778 0.0788430 0.3877601), wk = 0.0022422 k( 374) = ( 0.4222222 0.0843133 0.3992098), wk = 0.0022422 k( 375) = ( 0.4166667 0.0897837 0.4106596), wk = 0.0022422 k( 376) = ( 0.4111111 0.0952540 0.4221094), wk = 0.0022422 k( 377) = ( 0.4055556 0.1007244 0.4335592), wk = 0.0022422 k( 378) = ( 0.4000000 0.1061947 0.4450090), wk = 0.0022422 k( 379) = ( 0.3944444 0.1116651 0.4564588), wk = 0.0022422 k( 380) = ( 0.3888889 0.1171354 0.4679085), wk = 0.0022422 k( 381) = ( 0.3833333 0.1226058 0.4793583), wk = 0.0022422 k( 382) = ( 0.3777778 0.1280761 0.4908081), wk = 0.0022422 k( 383) = ( 0.3722222 0.1335464 0.5022579), wk = 0.0022422 k( 384) = ( 0.3666667 0.1390168 0.5137076), wk = 0.0022422 k( 385) = ( 0.3611111 0.1444871 0.5251574), wk = 0.0022422 k( 386) = ( 0.3555556 0.1499575 0.5366072), wk = 0.0022422 k( 387) = ( 0.3500000 0.1554278 0.5480570), wk = 0.0022422 k( 388) = ( 0.3444444 0.1608982 0.5595068), wk = 0.0022422 k( 389) = ( 0.3388889 0.1663685 0.5709565), wk = 0.0022422 k( 390) = ( 0.3333333 0.1718389 0.5824063), wk = 0.0022422 k( 391) = ( 0.3277778 0.1773092 0.5938561), wk = 0.0022422 k( 392) = ( 0.3222222 0.1827796 0.6053059), wk = 0.0022422 k( 393) = ( 0.3166667 0.1882499 0.6167557), wk = 0.0022422 k( 394) = ( 0.3111111 0.1937203 0.6282055), wk = 0.0022422 k( 395) = ( 0.3055556 0.1991906 0.6396552), wk = 0.0022422 k( 396) = ( 0.3000000 0.2046610 0.6511050), wk = 0.0022422 k( 397) = ( 0.2944444 0.2101313 0.6625548), wk = 0.0022422 k( 398) = ( 0.2888889 0.2156017 0.6740046), wk = 0.0022422 k( 399) = ( 0.2833333 0.2210720 0.6854544), wk = 0.0022422 k( 400) = ( 0.2777778 0.2265424 0.6969041), wk = 0.0022422 k( 401) = ( 0.2722222 0.2320127 0.7083539), wk = 0.0022422 k( 402) = ( 0.2666667 0.2374830 0.7198037), wk = 0.0022422 k( 403) = ( 0.2611111 0.2429534 0.7312535), wk = 0.0022422 k( 404) = ( 0.2555556 0.2484237 0.7427032), wk = 0.0022422 k( 405) = ( 0.2500000 0.2538941 0.7541530), wk = 0.0022422 k( 406) = ( 0.2578488 -0.2538941 0.7541530), wk = 0.0022422 k( 407) = ( 0.2634593 -0.2594185 0.7425901), wk = 0.0022422 k( 408) = ( 0.2690698 -0.2649430 0.7310271), wk = 0.0022422 k( 409) = ( 0.2746803 -0.2704674 0.7194641), wk = 0.0022422 k( 410) = ( 0.2802908 -0.2759918 0.7079011), wk = 0.0022422 k( 411) = ( 0.2859012 -0.2815162 0.6963381), wk = 0.0022422 k( 412) = ( 0.2915117 -0.2870407 0.6847752), wk = 0.0022422 k( 413) = ( 0.2971222 -0.2925651 0.6732122), wk = 0.0022422 k( 414) = ( 0.3027327 -0.2980895 0.6616492), wk = 0.0022422 k( 415) = ( 0.3083432 -0.3036140 0.6500862), wk = 0.0022422 k( 416) = ( 0.3139536 -0.3091384 0.6385232), wk = 0.0022422 k( 417) = ( 0.3195641 -0.3146628 0.6269603), wk = 0.0022422 k( 418) = ( 0.3251746 -0.3201873 0.6153973), wk = 0.0022422 k( 419) = ( 0.3307851 -0.3257117 0.6038343), wk = 0.0022422 k( 420) = ( 0.3363956 -0.3312361 0.5922713), wk = 0.0022422 k( 421) = ( 0.3420061 -0.3367605 0.5807083), wk = 0.0022422 k( 422) = ( 0.3476165 -0.3422850 0.5691454), wk = 0.0022422 k( 423) = ( 0.3532270 -0.3478094 0.5575824), wk = 0.0022422 k( 424) = ( 0.3588375 -0.3533338 0.5460194), wk = 0.0022422 k( 425) = ( 0.3644480 -0.3588583 0.5344564), wk = 0.0022422 k( 426) = ( 0.3700585 -0.3643827 0.5228934), wk = 0.0022422 k( 427) = ( 0.3756689 -0.3699071 0.5113305), wk = 0.0022422 k( 428) = ( 0.3812794 -0.3754316 0.4997675), wk = 0.0022422 k( 429) = ( 0.3868899 -0.3809560 0.4882045), wk = 0.0022422 k( 430) = ( 0.3925004 -0.3864804 0.4766415), wk = 0.0022422 k( 431) = ( 0.3981109 -0.3920049 0.4650785), wk = 0.0022422 k( 432) = ( 0.4037213 -0.3975293 0.4535156), wk = 0.0022422 k( 433) = ( 0.4093318 -0.4030537 0.4419526), wk = 0.0022422 k( 434) = ( 0.4149423 -0.4085782 0.4303896), wk = 0.0022422 k( 435) = ( 0.4205528 -0.4141026 0.4188266), wk = 0.0022422 k( 436) = ( 0.4261633 -0.4196270 0.4072636), wk = 0.0022422 k( 437) = ( 0.5738367 0.4350839 0.0705622), wk = 0.0022422 k( 438) = ( 0.5656326 0.4431622 0.0627220), wk = 0.0022422 k( 439) = ( 0.5574286 0.4512404 0.0548817), wk = 0.0022422 k( 440) = ( 0.5492245 0.4593187 0.0470415), wk = 0.0022422 k( 441) = ( 0.5410204 0.4673969 0.0392012), wk = 0.0022422 k( 442) = ( 0.5328163 0.4754752 0.0313610), wk = 0.0022422 k( 443) = ( 0.5246122 0.4835534 0.0235207), wk = 0.0022422 k( 444) = ( 0.5164082 0.4916317 0.0156805), wk = 0.0022422 k( 445) = ( 0.5082041 0.4997099 0.0078402), wk = 0.0022422 k( 446) = ( 0.5000000 0.5077882 -0.0000000), wk = 0.0022422 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022422 k( 2) = ( -0.0055281 0.0055281 0.0055281), wk = 0.0022422 k( 3) = ( -0.0110562 0.0110562 0.0110562), wk = 0.0022422 k( 4) = ( -0.0165843 0.0165843 0.0165843), wk = 0.0022422 k( 5) = ( -0.0221124 0.0221124 0.0221124), wk = 0.0022422 k( 6) = ( -0.0276405 0.0276405 0.0276405), wk = 0.0022422 k( 7) = ( -0.0331686 0.0331686 0.0331686), wk = 0.0022422 k( 8) = ( -0.0386966 0.0386967 0.0386966), wk = 0.0022422 k( 9) = ( -0.0442247 0.0442247 0.0442247), wk = 0.0022422 k( 10) = ( -0.0497528 0.0497528 0.0497528), wk = 0.0022422 k( 11) = ( -0.0552809 0.0552809 0.0552809), wk = 0.0022422 k( 12) = ( -0.0608090 0.0608090 0.0608090), wk = 0.0022422 k( 13) = ( -0.0663371 0.0663371 0.0663371), wk = 0.0022422 k( 14) = ( -0.0718652 0.0718652 0.0718652), wk = 0.0022422 k( 15) = ( -0.0773933 0.0773933 0.0773933), wk = 0.0022422 k( 16) = ( -0.0829214 0.0829214 0.0829214), wk = 0.0022422 k( 17) = ( -0.0884495 0.0884495 0.0884495), wk = 0.0022422 k( 18) = ( -0.0939776 0.0939776 0.0939776), wk = 0.0022422 k( 19) = ( -0.0995057 0.0995057 0.0995057), wk = 0.0022422 k( 20) = ( -0.1050338 0.1050338 0.1050338), wk = 0.0022422 k( 21) = ( -0.1105619 0.1105619 0.1105619), wk = 0.0022422 k( 22) = ( -0.1160899 0.1160900 0.1160899), wk = 0.0022422 k( 23) = ( -0.1216180 0.1216180 0.1216180), wk = 0.0022422 k( 24) = ( -0.1271461 0.1271461 0.1271461), wk = 0.0022422 k( 25) = ( -0.1326742 0.1326742 0.1326742), wk = 0.0022422 k( 26) = ( -0.1382023 0.1382023 0.1382023), wk = 0.0022422 k( 27) = ( -0.1437304 0.1437304 0.1437304), wk = 0.0022422 k( 28) = ( -0.1492585 0.1492585 0.1492585), wk = 0.0022422 k( 29) = ( -0.1547866 0.1547866 0.1547866), wk = 0.0022422 k( 30) = ( -0.1603147 0.1603147 0.1603147), wk = 0.0022422 k( 31) = ( -0.1658428 0.1658428 0.1658428), wk = 0.0022422 k( 32) = ( -0.1713709 0.1713709 0.1713709), wk = 0.0022422 k( 33) = ( -0.1768990 0.1768990 0.1768990), wk = 0.0022422 k( 34) = ( -0.1824271 0.1824271 0.1824271), wk = 0.0022422 k( 35) = ( -0.1879551 0.1879551 0.1879552), wk = 0.0022422 k( 36) = ( -0.1934832 0.1934832 0.1934832), wk = 0.0022422 k( 37) = ( -0.1990113 0.1990113 0.1990113), wk = 0.0022422 k( 38) = ( -0.2045394 0.2045394 0.2045394), wk = 0.0022422 k( 39) = ( -0.2100675 0.2100675 0.2100675), wk = 0.0022422 k( 40) = ( -0.2155956 0.2155956 0.2155956), wk = 0.0022422 k( 41) = ( -0.2211237 0.2211237 0.2211237), wk = 0.0022422 k( 42) = ( -0.2266518 0.2266518 0.2266518), wk = 0.0022422 k( 43) = ( -0.2321799 0.2321799 0.2321799), wk = 0.0022422 k( 44) = ( -0.2377080 0.2377080 0.2377080), wk = 0.0022422 k( 45) = ( -0.2432361 0.2432361 0.2432361), wk = 0.0022422 k( 46) = ( -0.2487642 0.2487642 0.2487642), wk = 0.0022422 k( 47) = ( -0.2542923 0.2542923 0.2542923), wk = 0.0022422 k( 48) = ( -0.2598204 0.2598204 0.2598204), wk = 0.0022422 k( 49) = ( -0.2653485 0.2653485 0.2653485), wk = 0.0022422 k( 50) = ( -0.2708765 0.2708765 0.2708765), wk = 0.0022422 k( 51) = ( -0.2764046 0.2764046 0.2764046), wk = 0.0022422 k( 52) = ( -0.2819327 0.2819327 0.2819327), wk = 0.0022422 k( 53) = ( -0.2874608 0.2874608 0.2874608), wk = 0.0022422 k( 54) = ( -0.2929889 0.2929889 0.2929889), wk = 0.0022422 k( 55) = ( -0.2985170 0.2985170 0.2985170), wk = 0.0022422 k( 56) = ( -0.3040451 0.3040451 0.3040451), wk = 0.0022422 k( 57) = ( -0.3095732 0.3095732 0.3095732), wk = 0.0022422 k( 58) = ( -0.3151013 0.3151013 0.3151013), wk = 0.0022422 k( 59) = ( -0.3206294 0.3206294 0.3206294), wk = 0.0022422 k( 60) = ( -0.3261575 0.3261575 0.3261575), wk = 0.0022422 k( 61) = ( -0.3316856 0.3316856 0.3316856), wk = 0.0022422 k( 62) = ( -0.3316856 0.3316856 0.3316856), wk = 0.0022422 k( 63) = ( -0.3234815 0.3234815 0.3398896), wk = 0.0022422 k( 64) = ( -0.3152774 0.3152774 0.3480937), wk = 0.0022422 k( 65) = ( -0.3070733 0.3070733 0.3562978), wk = 0.0022422 k( 66) = ( -0.2988692 0.2988692 0.3645019), wk = 0.0022422 k( 67) = ( -0.2906652 0.2906652 0.3727060), wk = 0.0022422 k( 68) = ( -0.2824611 0.2824611 0.3809101), wk = 0.0022422 k( 69) = ( -0.2742570 0.2742570 0.3891141), wk = 0.0022422 k( 70) = ( -0.2660529 0.2660529 0.3973182), wk = 0.0022422 k( 71) = ( -0.2578488 0.2578488 0.4055223), wk = 0.0022422 k( 72) = ( -0.2578488 0.2578488 0.4055223), wk = 0.0022422 k( 73) = ( -0.2479316 0.2479316 0.4091561), wk = 0.0022422 k( 74) = ( -0.2380143 0.2380143 0.4127898), wk = 0.0022422 k( 75) = ( -0.2280970 0.2280970 0.4164236), wk = 0.0022422 k( 76) = ( -0.2181798 0.2181798 0.4200573), wk = 0.0022422 k( 77) = ( -0.2082625 0.2082625 0.4236911), wk = 0.0022422 k( 78) = ( -0.1983453 0.1983453 0.4273248), wk = 0.0022422 k( 79) = ( -0.1884280 0.1884280 0.4309586), wk = 0.0022422 k( 80) = ( -0.1785107 0.1785107 0.4345924), wk = 0.0022422 k( 81) = ( -0.1685935 0.1685935 0.4382261), wk = 0.0022422 k( 82) = ( -0.1586762 0.1586762 0.4418599), wk = 0.0022422 k( 83) = ( -0.1487589 0.1487589 0.4454936), wk = 0.0022422 k( 84) = ( -0.1388417 0.1388417 0.4491274), wk = 0.0022422 k( 85) = ( -0.1289244 0.1289244 0.4527611), wk = 0.0022422 k( 86) = ( -0.1190072 0.1190072 0.4563949), wk = 0.0022422 k( 87) = ( -0.1090899 0.1090899 0.4600287), wk = 0.0022422 k( 88) = ( -0.0991726 0.0991726 0.4636624), wk = 0.0022422 k( 89) = ( -0.0892554 0.0892554 0.4672962), wk = 0.0022422 k( 90) = ( -0.0793381 0.0793381 0.4709299), wk = 0.0022422 k( 91) = ( -0.0694208 0.0694208 0.4745637), wk = 0.0022422 k( 92) = ( -0.0595036 0.0595036 0.4781975), wk = 0.0022422 k( 93) = ( -0.0495863 0.0495863 0.4818312), wk = 0.0022422 k( 94) = ( -0.0396690 0.0396690 0.4854650), wk = 0.0022422 k( 95) = ( -0.0297518 0.0297518 0.4890987), wk = 0.0022422 k( 96) = ( -0.0198345 0.0198345 0.4927325), wk = 0.0022422 k( 97) = ( -0.0099173 0.0099173 0.4963662), wk = 0.0022422 k( 98) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022422 k( 99) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022422 k( 100) = ( 0.0096154 0.0096154 0.4903846), wk = 0.0022422 k( 101) = ( 0.0192308 0.0192308 0.4807692), wk = 0.0022422 k( 102) = ( 0.0288462 0.0288462 0.4711538), wk = 0.0022422 k( 103) = ( 0.0384615 0.0384615 0.4615385), wk = 0.0022422 k( 104) = ( 0.0480769 0.0480769 0.4519231), wk = 0.0022422 k( 105) = ( 0.0576923 0.0576923 0.4423077), wk = 0.0022422 k( 106) = ( 0.0673077 0.0673077 0.4326923), wk = 0.0022422 k( 107) = ( 0.0769231 0.0769231 0.4230769), wk = 0.0022422 k( 108) = ( 0.0865385 0.0865385 0.4134615), wk = 0.0022422 k( 109) = ( 0.0961538 0.0961538 0.4038462), wk = 0.0022422 k( 110) = ( 0.1057692 0.1057692 0.3942308), wk = 0.0022422 k( 111) = ( 0.1153846 0.1153846 0.3846154), wk = 0.0022422 k( 112) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0022422 k( 113) = ( 0.1346154 0.1346154 0.3653846), wk = 0.0022422 k( 114) = ( 0.1442308 0.1442308 0.3557692), wk = 0.0022422 k( 115) = ( 0.1538461 0.1538461 0.3461538), wk = 0.0022422 k( 116) = ( 0.1634615 0.1634615 0.3365385), wk = 0.0022422 k( 117) = ( 0.1730769 0.1730769 0.3269231), wk = 0.0022422 k( 118) = ( 0.1826923 0.1826923 0.3173077), wk = 0.0022422 k( 119) = ( 0.1923077 0.1923077 0.3076923), wk = 0.0022422 k( 120) = ( 0.2019231 0.2019231 0.2980769), wk = 0.0022422 k( 121) = ( 0.2115385 0.2115385 0.2884615), wk = 0.0022422 k( 122) = ( 0.2211539 0.2211539 0.2788461), wk = 0.0022422 k( 123) = ( 0.2307692 0.2307692 0.2692308), wk = 0.0022422 k( 124) = ( 0.2403846 0.2403846 0.2596154), wk = 0.0022422 k( 125) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022422 k( 126) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022422 k( 127) = ( 0.2419355 0.2580645 0.2419355), wk = 0.0022422 k( 128) = ( 0.2338710 0.2661290 0.2338710), wk = 0.0022422 k( 129) = ( 0.2258064 0.2741936 0.2258064), wk = 0.0022422 k( 130) = ( 0.2177419 0.2822581 0.2177419), wk = 0.0022422 k( 131) = ( 0.2096774 0.2903226 0.2096774), wk = 0.0022422 k( 132) = ( 0.2016129 0.2983871 0.2016129), wk = 0.0022422 k( 133) = ( 0.1935484 0.3064516 0.1935484), wk = 0.0022422 k( 134) = ( 0.1854839 0.3145161 0.1854839), wk = 0.0022422 k( 135) = ( 0.1774194 0.3225806 0.1774194), wk = 0.0022422 k( 136) = ( 0.1693548 0.3306452 0.1693548), wk = 0.0022422 k( 137) = ( 0.1612903 0.3387097 0.1612903), wk = 0.0022422 k( 138) = ( 0.1532258 0.3467742 0.1532258), wk = 0.0022422 k( 139) = ( 0.1451613 0.3548387 0.1451613), wk = 0.0022422 k( 140) = ( 0.1370968 0.3629032 0.1370968), wk = 0.0022422 k( 141) = ( 0.1290323 0.3709677 0.1290323), wk = 0.0022422 k( 142) = ( 0.1209677 0.3790323 0.1209677), wk = 0.0022422 k( 143) = ( 0.1129032 0.3870968 0.1129032), wk = 0.0022422 k( 144) = ( 0.1048387 0.3951613 0.1048387), wk = 0.0022422 k( 145) = ( 0.0967742 0.4032258 0.0967742), wk = 0.0022422 k( 146) = ( 0.0887097 0.4112903 0.0887097), wk = 0.0022422 k( 147) = ( 0.0806452 0.4193548 0.0806452), wk = 0.0022422 k( 148) = ( 0.0725806 0.4274194 0.0725807), wk = 0.0022422 k( 149) = ( 0.0645161 0.4354839 0.0645161), wk = 0.0022422 k( 150) = ( 0.0564516 0.4435484 0.0564516), wk = 0.0022422 k( 151) = ( 0.0483871 0.4516129 0.0483871), wk = 0.0022422 k( 152) = ( 0.0403226 0.4596774 0.0403226), wk = 0.0022422 k( 153) = ( 0.0322581 0.4677419 0.0322581), wk = 0.0022422 k( 154) = ( 0.0241936 0.4758064 0.0241936), wk = 0.0022422 k( 155) = ( 0.0161290 0.4838710 0.0161290), wk = 0.0022422 k( 156) = ( 0.0080645 0.4919355 0.0080645), wk = 0.0022422 k( 157) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022422 k( 158) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022422 k( 159) = ( 0.0110562 0.5056105 -0.0110562), wk = 0.0022422 k( 160) = ( 0.0221124 0.5112210 -0.0221124), wk = 0.0022422 k( 161) = ( 0.0331686 0.5168314 -0.0331686), wk = 0.0022422 k( 162) = ( 0.0442247 0.5224419 -0.0442247), wk = 0.0022422 k( 163) = ( 0.0552809 0.5280524 -0.0552809), wk = 0.0022422 k( 164) = ( 0.0663371 0.5336629 -0.0663371), wk = 0.0022422 k( 165) = ( 0.0773933 0.5392734 -0.0773933), wk = 0.0022422 k( 166) = ( 0.0884495 0.5448838 -0.0884495), wk = 0.0022422 k( 167) = ( 0.0995057 0.5504943 -0.0995057), wk = 0.0022422 k( 168) = ( 0.1105619 0.5561048 -0.1105619), wk = 0.0022422 k( 169) = ( 0.1216180 0.5617153 -0.1216180), wk = 0.0022422 k( 170) = ( 0.1326742 0.5673258 -0.1326742), wk = 0.0022422 k( 171) = ( 0.1437304 0.5729363 -0.1437304), wk = 0.0022422 k( 172) = ( 0.1547866 0.5785467 -0.1547866), wk = 0.0022422 k( 173) = ( 0.1658428 0.5841572 -0.1658428), wk = 0.0022422 k( 174) = ( 0.1768990 0.5897677 -0.1768990), wk = 0.0022422 k( 175) = ( 0.1879551 0.5953782 -0.1879552), wk = 0.0022422 k( 176) = ( 0.1990113 0.6009887 -0.1990113), wk = 0.0022422 k( 177) = ( 0.2100675 0.6065991 -0.2100675), wk = 0.0022422 k( 178) = ( 0.2211237 0.6122096 -0.2211237), wk = 0.0022422 k( 179) = ( 0.2321799 0.6178201 -0.2321799), wk = 0.0022422 k( 180) = ( 0.2432361 0.6234306 -0.2432361), wk = 0.0022422 k( 181) = ( 0.2542923 0.6290411 -0.2542923), wk = 0.0022422 k( 182) = ( 0.2653485 0.6346516 -0.2653485), wk = 0.0022422 k( 183) = ( 0.2764046 0.6402620 -0.2764046), wk = 0.0022422 k( 184) = ( 0.2874608 0.6458725 -0.2874608), wk = 0.0022422 k( 185) = ( 0.2985170 0.6514830 -0.2985170), wk = 0.0022422 k( 186) = ( 0.3095732 0.6570935 -0.3095732), wk = 0.0022422 k( 187) = ( 0.3206294 0.6627040 -0.3206294), wk = 0.0022422 k( 188) = ( 0.3316856 0.6683144 -0.3316856), wk = 0.0022422 k( 189) = ( 0.3316856 0.6683144 -0.3316856), wk = 0.0022422 k( 190) = ( 0.3372961 0.6627040 -0.3372960), wk = 0.0022422 k( 191) = ( 0.3429065 0.6570935 -0.3429065), wk = 0.0022422 k( 192) = ( 0.3485170 0.6514830 -0.3485170), wk = 0.0022422 k( 193) = ( 0.3541275 0.6458725 -0.3541275), wk = 0.0022422 k( 194) = ( 0.3597380 0.6402620 -0.3597380), wk = 0.0022422 k( 195) = ( 0.3653484 0.6346515 -0.3653485), wk = 0.0022422 k( 196) = ( 0.3709589 0.6290411 -0.3709589), wk = 0.0022422 k( 197) = ( 0.3765694 0.6234306 -0.3765694), wk = 0.0022422 k( 198) = ( 0.3821799 0.6178201 -0.3821799), wk = 0.0022422 k( 199) = ( 0.3877904 0.6122096 -0.3877904), wk = 0.0022422 k( 200) = ( 0.3934009 0.6065991 -0.3934009), wk = 0.0022422 k( 201) = ( 0.3990113 0.6009887 -0.3990113), wk = 0.0022422 k( 202) = ( 0.4046218 0.5953782 -0.4046218), wk = 0.0022422 k( 203) = ( 0.4102323 0.5897677 -0.4102323), wk = 0.0022422 k( 204) = ( 0.4158428 0.5841572 -0.4158428), wk = 0.0022422 k( 205) = ( 0.4214533 0.5785467 -0.4214533), wk = 0.0022422 k( 206) = ( 0.4270638 0.5729363 -0.4270638), wk = 0.0022422 k( 207) = ( 0.4326742 0.5673258 -0.4326742), wk = 0.0022422 k( 208) = ( 0.4382847 0.5617153 -0.4382847), wk = 0.0022422 k( 209) = ( 0.4438952 0.5561048 -0.4438952), wk = 0.0022422 k( 210) = ( 0.4495057 0.5504943 -0.4495057), wk = 0.0022422 k( 211) = ( 0.4551161 0.5448838 -0.4551161), wk = 0.0022422 k( 212) = ( 0.4607266 0.5392734 -0.4607266), wk = 0.0022422 k( 213) = ( 0.4663371 0.5336629 -0.4663371), wk = 0.0022422 k( 214) = ( 0.4719476 0.5280524 -0.4719476), wk = 0.0022422 k( 215) = ( 0.4775581 0.5224419 -0.4775581), wk = 0.0022422 k( 216) = ( 0.4831686 0.5168314 -0.4831686), wk = 0.0022422 k( 217) = ( 0.4887790 0.5112210 -0.4887790), wk = 0.0022422 k( 218) = ( 0.4943895 0.5056105 -0.4943895), wk = 0.0022422 k( 219) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0022422 k( 220) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0022422 k( 221) = ( 0.4901961 0.4901961 -0.4901961), wk = 0.0022422 k( 222) = ( 0.4803922 0.4803922 -0.4803922), wk = 0.0022422 k( 223) = ( 0.4705882 0.4705882 -0.4705882), wk = 0.0022422 k( 224) = ( 0.4607843 0.4607843 -0.4607843), wk = 0.0022422 k( 225) = ( 0.4509804 0.4509804 -0.4509804), wk = 0.0022422 k( 226) = ( 0.4411765 0.4411765 -0.4411765), wk = 0.0022422 k( 227) = ( 0.4313726 0.4313725 -0.4313726), wk = 0.0022422 k( 228) = ( 0.4215686 0.4215686 -0.4215686), wk = 0.0022422 k( 229) = ( 0.4117647 0.4117647 -0.4117647), wk = 0.0022422 k( 230) = ( 0.4019608 0.4019608 -0.4019608), wk = 0.0022422 k( 231) = ( 0.3921569 0.3921569 -0.3921569), wk = 0.0022422 k( 232) = ( 0.3823529 0.3823529 -0.3823529), wk = 0.0022422 k( 233) = ( 0.3725490 0.3725490 -0.3725490), wk = 0.0022422 k( 234) = ( 0.3627451 0.3627451 -0.3627451), wk = 0.0022422 k( 235) = ( 0.3529412 0.3529412 -0.3529412), wk = 0.0022422 k( 236) = ( 0.3431373 0.3431373 -0.3431373), wk = 0.0022422 k( 237) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0022422 k( 238) = ( 0.3235294 0.3235294 -0.3235294), wk = 0.0022422 k( 239) = ( 0.3137255 0.3137255 -0.3137255), wk = 0.0022422 k( 240) = ( 0.3039216 0.3039216 -0.3039216), wk = 0.0022422 k( 241) = ( 0.2941177 0.2941177 -0.2941177), wk = 0.0022422 k( 242) = ( 0.2843137 0.2843137 -0.2843137), wk = 0.0022422 k( 243) = ( 0.2745098 0.2745098 -0.2745098), wk = 0.0022422 k( 244) = ( 0.2647059 0.2647059 -0.2647059), wk = 0.0022422 k( 245) = ( 0.2549020 0.2549020 -0.2549020), wk = 0.0022422 k( 246) = ( 0.2450980 0.2450980 -0.2450980), wk = 0.0022422 k( 247) = ( 0.2352941 0.2352941 -0.2352941), wk = 0.0022422 k( 248) = ( 0.2254902 0.2254902 -0.2254902), wk = 0.0022422 k( 249) = ( 0.2156863 0.2156863 -0.2156863), wk = 0.0022422 k( 250) = ( 0.2058823 0.2058824 -0.2058823), wk = 0.0022422 k( 251) = ( 0.1960784 0.1960784 -0.1960784), wk = 0.0022422 k( 252) = ( 0.1862745 0.1862745 -0.1862745), wk = 0.0022422 k( 253) = ( 0.1764706 0.1764706 -0.1764706), wk = 0.0022422 k( 254) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0022422 k( 255) = ( 0.1568627 0.1568627 -0.1568627), wk = 0.0022422 k( 256) = ( 0.1470588 0.1470588 -0.1470588), wk = 0.0022422 k( 257) = ( 0.1372549 0.1372549 -0.1372549), wk = 0.0022422 k( 258) = ( 0.1274510 0.1274510 -0.1274510), wk = 0.0022422 k( 259) = ( 0.1176471 0.1176471 -0.1176471), wk = 0.0022422 k( 260) = ( 0.1078431 0.1078431 -0.1078431), wk = 0.0022422 k( 261) = ( 0.0980392 0.0980392 -0.0980392), wk = 0.0022422 k( 262) = ( 0.0882353 0.0882353 -0.0882353), wk = 0.0022422 k( 263) = ( 0.0784314 0.0784314 -0.0784314), wk = 0.0022422 k( 264) = ( 0.0686275 0.0686275 -0.0686274), wk = 0.0022422 k( 265) = ( 0.0588235 0.0588235 -0.0588235), wk = 0.0022422 k( 266) = ( 0.0490196 0.0490196 -0.0490196), wk = 0.0022422 k( 267) = ( 0.0392157 0.0392157 -0.0392157), wk = 0.0022422 k( 268) = ( 0.0294118 0.0294118 -0.0294118), wk = 0.0022422 k( 269) = ( 0.0196078 0.0196078 -0.0196078), wk = 0.0022422 k( 270) = ( 0.0098039 0.0098039 -0.0098039), wk = 0.0022422 k( 271) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022422 k( 272) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022422 k( 273) = ( 0.0081954 -0.0081954 0.0081954), wk = 0.0022422 k( 274) = ( 0.0163909 -0.0163909 0.0163909), wk = 0.0022422 k( 275) = ( 0.0245863 -0.0245863 0.0245863), wk = 0.0022422 k( 276) = ( 0.0327818 -0.0327818 0.0327818), wk = 0.0022422 k( 277) = ( 0.0409772 -0.0409772 0.0409772), wk = 0.0022422 k( 278) = ( 0.0491727 -0.0491727 0.0491727), wk = 0.0022422 k( 279) = ( 0.0573681 -0.0573681 0.0573681), wk = 0.0022422 k( 280) = ( 0.0655636 -0.0655636 0.0655636), wk = 0.0022422 k( 281) = ( 0.0737590 -0.0737590 0.0737590), wk = 0.0022422 k( 282) = ( 0.0819545 -0.0819545 0.0819545), wk = 0.0022422 k( 283) = ( 0.0901499 -0.0901499 0.0901499), wk = 0.0022422 k( 284) = ( 0.0983454 -0.0983454 0.0983454), wk = 0.0022422 k( 285) = ( 0.1065408 -0.1065408 0.1065408), wk = 0.0022422 k( 286) = ( 0.1147363 -0.1147363 0.1147363), wk = 0.0022422 k( 287) = ( 0.1229317 -0.1229317 0.1229317), wk = 0.0022422 k( 288) = ( 0.1311272 -0.1311272 0.1311272), wk = 0.0022422 k( 289) = ( 0.1393226 -0.1393226 0.1393226), wk = 0.0022422 k( 290) = ( 0.1475181 -0.1475181 0.1475181), wk = 0.0022422 k( 291) = ( 0.1557135 -0.1557135 0.1557135), wk = 0.0022422 k( 292) = ( 0.1639089 -0.1639089 0.1639089), wk = 0.0022422 k( 293) = ( 0.1721044 -0.1721044 0.1721044), wk = 0.0022422 k( 294) = ( 0.1802998 -0.1802998 0.1802998), wk = 0.0022422 k( 295) = ( 0.1884953 -0.1884953 0.1884953), wk = 0.0022422 k( 296) = ( 0.1966907 -0.1966907 0.1966907), wk = 0.0022422 k( 297) = ( 0.2048862 -0.2048862 0.2048862), wk = 0.0022422 k( 298) = ( 0.2130816 -0.2130816 0.2130816), wk = 0.0022422 k( 299) = ( 0.2212771 -0.2212771 0.2212771), wk = 0.0022422 k( 300) = ( 0.2294725 -0.2294725 0.2294725), wk = 0.0022422 k( 301) = ( 0.2376680 -0.2376680 0.2376680), wk = 0.0022422 k( 302) = ( 0.2458634 -0.2458634 0.2458634), wk = 0.0022422 k( 303) = ( 0.2540589 -0.2540589 0.2540589), wk = 0.0022422 k( 304) = ( 0.2622543 -0.2622543 0.2622543), wk = 0.0022422 k( 305) = ( 0.2704498 -0.2704498 0.2704498), wk = 0.0022422 k( 306) = ( 0.2786452 -0.2786452 0.2786452), wk = 0.0022422 k( 307) = ( 0.2868407 -0.2868407 0.2868407), wk = 0.0022422 k( 308) = ( 0.2950361 -0.2950361 0.2950361), wk = 0.0022422 k( 309) = ( 0.3032316 -0.3032316 0.3032316), wk = 0.0022422 k( 310) = ( 0.3114270 -0.3114270 0.3114270), wk = 0.0022422 k( 311) = ( 0.3196225 -0.3196225 0.3196225), wk = 0.0022422 k( 312) = ( 0.3278179 -0.3278179 0.3278179), wk = 0.0022422 k( 313) = ( 0.3360133 -0.3360133 0.3360133), wk = 0.0022422 k( 314) = ( 0.3442088 -0.3442088 0.3442088), wk = 0.0022422 k( 315) = ( 0.3524042 -0.3524042 0.3524042), wk = 0.0022422 k( 316) = ( 0.3605997 -0.3605997 0.3605997), wk = 0.0022422 k( 317) = ( 0.3687951 -0.3687951 0.3687951), wk = 0.0022422 k( 318) = ( 0.3769906 -0.3769906 0.3769906), wk = 0.0022422 k( 319) = ( 0.3851860 -0.3851860 0.3851860), wk = 0.0022422 k( 320) = ( 0.3933815 -0.3933815 0.3933815), wk = 0.0022422 k( 321) = ( 0.4015769 -0.4015769 0.4015769), wk = 0.0022422 k( 322) = ( 0.4097724 -0.4097724 0.4097724), wk = 0.0022422 k( 323) = ( 0.4179678 -0.4179678 0.4179678), wk = 0.0022422 k( 324) = ( 0.4261633 -0.4261633 0.4261633), wk = 0.0022422 k( 325) = ( 0.4261633 -0.4261633 0.4261633), wk = 0.0022422 k( 326) = ( 0.4283349 -0.4136290 0.4136290), wk = 0.0022422 k( 327) = ( 0.4305066 -0.4010948 0.4010948), wk = 0.0022422 k( 328) = ( 0.4326783 -0.3885606 0.3885606), wk = 0.0022422 k( 329) = ( 0.4348499 -0.3760264 0.3760264), wk = 0.0022422 k( 330) = ( 0.4370216 -0.3634922 0.3634922), wk = 0.0022422 k( 331) = ( 0.4391933 -0.3509580 0.3509580), wk = 0.0022422 k( 332) = ( 0.4413649 -0.3384238 0.3384238), wk = 0.0022422 k( 333) = ( 0.4435366 -0.3258896 0.3258896), wk = 0.0022422 k( 334) = ( 0.4457083 -0.3133553 0.3133553), wk = 0.0022422 k( 335) = ( 0.4478800 -0.3008211 0.3008211), wk = 0.0022422 k( 336) = ( 0.4500516 -0.2882869 0.2882869), wk = 0.0022422 k( 337) = ( 0.4522233 -0.2757527 0.2757527), wk = 0.0022422 k( 338) = ( 0.4543950 -0.2632185 0.2632185), wk = 0.0022422 k( 339) = ( 0.4565666 -0.2506843 0.2506843), wk = 0.0022422 k( 340) = ( 0.4587383 -0.2381501 0.2381501), wk = 0.0022422 k( 341) = ( 0.4609100 -0.2256159 0.2256159), wk = 0.0022422 k( 342) = ( 0.4630816 -0.2130816 0.2130816), wk = 0.0022422 k( 343) = ( 0.4652533 -0.2005474 0.2005474), wk = 0.0022422 k( 344) = ( 0.4674250 -0.1880132 0.1880132), wk = 0.0022422 k( 345) = ( 0.4695966 -0.1754790 0.1754790), wk = 0.0022422 k( 346) = ( 0.4717683 -0.1629448 0.1629448), wk = 0.0022422 k( 347) = ( 0.4739400 -0.1504106 0.1504106), wk = 0.0022422 k( 348) = ( 0.4761116 -0.1378764 0.1378763), wk = 0.0022422 k( 349) = ( 0.4782833 -0.1253421 0.1253421), wk = 0.0022422 k( 350) = ( 0.4804550 -0.1128079 0.1128079), wk = 0.0022422 k( 351) = ( 0.4826266 -0.1002737 0.1002737), wk = 0.0022422 k( 352) = ( 0.4847983 -0.0877395 0.0877395), wk = 0.0022422 k( 353) = ( 0.4869700 -0.0752053 0.0752053), wk = 0.0022422 k( 354) = ( 0.4891417 -0.0626711 0.0626711), wk = 0.0022422 k( 355) = ( 0.4913133 -0.0501369 0.0501369), wk = 0.0022422 k( 356) = ( 0.4934850 -0.0376026 0.0376026), wk = 0.0022422 k( 357) = ( 0.4956567 -0.0250684 0.0250684), wk = 0.0022422 k( 358) = ( 0.4978283 -0.0125342 0.0125342), wk = 0.0022422 k( 359) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0022422 k( 360) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0022422 k( 361) = ( 0.4944444 0.0055556 0.0055556), wk = 0.0022422 k( 362) = ( 0.4888889 0.0111111 0.0111111), wk = 0.0022422 k( 363) = ( 0.4833333 0.0166667 0.0166667), wk = 0.0022422 k( 364) = ( 0.4777778 0.0222222 0.0222222), wk = 0.0022422 k( 365) = ( 0.4722222 0.0277778 0.0277778), wk = 0.0022422 k( 366) = ( 0.4666667 0.0333333 0.0333333), wk = 0.0022422 k( 367) = ( 0.4611111 0.0388889 0.0388889), wk = 0.0022422 k( 368) = ( 0.4555556 0.0444444 0.0444444), wk = 0.0022422 k( 369) = ( 0.4500000 0.0500000 0.0500000), wk = 0.0022422 k( 370) = ( 0.4444444 0.0555556 0.0555556), wk = 0.0022422 k( 371) = ( 0.4388889 0.0611111 0.0611111), wk = 0.0022422 k( 372) = ( 0.4333333 0.0666667 0.0666667), wk = 0.0022422 k( 373) = ( 0.4277778 0.0722222 0.0722222), wk = 0.0022422 k( 374) = ( 0.4222222 0.0777778 0.0777778), wk = 0.0022422 k( 375) = ( 0.4166667 0.0833333 0.0833333), wk = 0.0022422 k( 376) = ( 0.4111111 0.0888889 0.0888889), wk = 0.0022422 k( 377) = ( 0.4055556 0.0944444 0.0944444), wk = 0.0022422 k( 378) = ( 0.4000000 0.1000000 0.1000000), wk = 0.0022422 k( 379) = ( 0.3944444 0.1055556 0.1055556), wk = 0.0022422 k( 380) = ( 0.3888889 0.1111111 0.1111111), wk = 0.0022422 k( 381) = ( 0.3833333 0.1166667 0.1166667), wk = 0.0022422 k( 382) = ( 0.3777778 0.1222222 0.1222222), wk = 0.0022422 k( 383) = ( 0.3722222 0.1277778 0.1277778), wk = 0.0022422 k( 384) = ( 0.3666667 0.1333333 0.1333333), wk = 0.0022422 k( 385) = ( 0.3611111 0.1388889 0.1388889), wk = 0.0022422 k( 386) = ( 0.3555556 0.1444444 0.1444444), wk = 0.0022422 k( 387) = ( 0.3500000 0.1500000 0.1500000), wk = 0.0022422 k( 388) = ( 0.3444444 0.1555556 0.1555556), wk = 0.0022422 k( 389) = ( 0.3388889 0.1611111 0.1611111), wk = 0.0022422 k( 390) = ( 0.3333333 0.1666667 0.1666667), wk = 0.0022422 k( 391) = ( 0.3277778 0.1722222 0.1722222), wk = 0.0022422 k( 392) = ( 0.3222222 0.1777778 0.1777778), wk = 0.0022422 k( 393) = ( 0.3166667 0.1833333 0.1833333), wk = 0.0022422 k( 394) = ( 0.3111111 0.1888889 0.1888889), wk = 0.0022422 k( 395) = ( 0.3055556 0.1944444 0.1944444), wk = 0.0022422 k( 396) = ( 0.3000000 0.2000000 0.2000000), wk = 0.0022422 k( 397) = ( 0.2944444 0.2055556 0.2055556), wk = 0.0022422 k( 398) = ( 0.2888889 0.2111111 0.2111111), wk = 0.0022422 k( 399) = ( 0.2833333 0.2166667 0.2166667), wk = 0.0022422 k( 400) = ( 0.2777778 0.2222222 0.2222222), wk = 0.0022422 k( 401) = ( 0.2722222 0.2277778 0.2277778), wk = 0.0022422 k( 402) = ( 0.2666667 0.2333333 0.2333333), wk = 0.0022422 k( 403) = ( 0.2611111 0.2388889 0.2388889), wk = 0.0022422 k( 404) = ( 0.2555556 0.2444444 0.2444444), wk = 0.0022422 k( 405) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022422 k( 406) = ( 0.2578488 -0.2578488 0.5944777), wk = 0.0022422 k( 407) = ( 0.2634593 -0.2634593 0.5888672), wk = 0.0022422 k( 408) = ( 0.2690698 -0.2690698 0.5832567), wk = 0.0022422 k( 409) = ( 0.2746803 -0.2746803 0.5776463), wk = 0.0022422 k( 410) = ( 0.2802908 -0.2802908 0.5720358), wk = 0.0022422 k( 411) = ( 0.2859012 -0.2859012 0.5664253), wk = 0.0022422 k( 412) = ( 0.2915117 -0.2915117 0.5608148), wk = 0.0022422 k( 413) = ( 0.2971222 -0.2971222 0.5552043), wk = 0.0022422 k( 414) = ( 0.3027327 -0.3027327 0.5495938), wk = 0.0022422 k( 415) = ( 0.3083432 -0.3083432 0.5439834), wk = 0.0022422 k( 416) = ( 0.3139536 -0.3139536 0.5383729), wk = 0.0022422 k( 417) = ( 0.3195641 -0.3195641 0.5327624), wk = 0.0022422 k( 418) = ( 0.3251746 -0.3251746 0.5271519), wk = 0.0022422 k( 419) = ( 0.3307851 -0.3307851 0.5215414), wk = 0.0022422 k( 420) = ( 0.3363956 -0.3363956 0.5159310), wk = 0.0022422 k( 421) = ( 0.3420061 -0.3420061 0.5103205), wk = 0.0022422 k( 422) = ( 0.3476165 -0.3476165 0.5047100), wk = 0.0022422 k( 423) = ( 0.3532270 -0.3532270 0.4990995), wk = 0.0022422 k( 424) = ( 0.3588375 -0.3588375 0.4934890), wk = 0.0022422 k( 425) = ( 0.3644480 -0.3644480 0.4878786), wk = 0.0022422 k( 426) = ( 0.3700585 -0.3700585 0.4822681), wk = 0.0022422 k( 427) = ( 0.3756689 -0.3756689 0.4766576), wk = 0.0022422 k( 428) = ( 0.3812794 -0.3812794 0.4710471), wk = 0.0022422 k( 429) = ( 0.3868899 -0.3868899 0.4654366), wk = 0.0022422 k( 430) = ( 0.3925004 -0.3925004 0.4598261), wk = 0.0022422 k( 431) = ( 0.3981109 -0.3981109 0.4542157), wk = 0.0022422 k( 432) = ( 0.4037213 -0.4037213 0.4486052), wk = 0.0022422 k( 433) = ( 0.4093318 -0.4093318 0.4429947), wk = 0.0022422 k( 434) = ( 0.4149423 -0.4149423 0.4373842), wk = 0.0022422 k( 435) = ( 0.4205528 -0.4205528 0.4317737), wk = 0.0022422 k( 436) = ( 0.4261633 -0.4261633 0.4261633), wk = 0.0022422 k( 437) = ( 0.5738367 0.4261633 -0.4261633), wk = 0.0022422 k( 438) = ( 0.5656326 0.4343673 -0.4343673), wk = 0.0022422 k( 439) = ( 0.5574286 0.4425714 -0.4425714), wk = 0.0022422 k( 440) = ( 0.5492245 0.4507755 -0.4507755), wk = 0.0022422 k( 441) = ( 0.5410204 0.4589796 -0.4589796), wk = 0.0022422 k( 442) = ( 0.5328163 0.4671837 -0.4671837), wk = 0.0022422 k( 443) = ( 0.5246122 0.4753878 -0.4753878), wk = 0.0022422 k( 444) = ( 0.5164082 0.4835918 -0.4835918), wk = 0.0022422 k( 445) = ( 0.5082041 0.4917959 -0.4917959), wk = 0.0022422 k( 446) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0022422 Dense grid: 37471 G-vectors FFT dimensions: ( 48, 48, 48) Smooth grid: 16591 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 96, 36) NL pseudopotentials 0.06 Mb ( 48, 76) Each V/rho on FFT grid 0.04 Mb ( 2304) Each G-vector array 0.01 Mb ( 782) G-vector shells 0.01 Mb ( 705) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.21 Mb ( 96, 144) Each subspace H/S matrix 0.32 Mb ( 144, 144) Each matrix 0.08 Mb ( 76, 2, 36) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./AgNO2.save/charge-density.dat Starting wfc are 42 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.5 secs Computing kpt #: 2 total cpu time spent up to now is 43.3 secs Computing kpt #: 3 total cpu time spent up to now is 44.2 secs Computing kpt #: 4 total cpu time spent up to now is 45.0 secs Computing kpt #: 5 total cpu time spent up to now is 45.8 secs Computing kpt #: 6 total cpu time spent up to now is 46.6 secs Computing kpt #: 7 total cpu time spent up to now is 47.4 secs Computing kpt #: 8 total cpu time spent up to now is 48.2 secs Computing kpt #: 9 total cpu time spent up to now is 49.1 secs Computing kpt #: 10 total cpu time spent up to now is 50.1 secs Computing kpt #: 11 total cpu time spent up to now is 50.9 secs Computing kpt #: 12 total cpu time spent up to now is 51.7 secs Computing kpt #: 13 total cpu time spent up to now is 52.5 secs Computing kpt #: 14 total cpu time spent up to now is 53.3 secs Computing kpt #: 15 total cpu time spent up to now is 54.0 secs Computing kpt #: 16 total cpu time spent up to now is 54.8 secs Computing kpt #: 17 total cpu time spent up to now is 55.6 secs Computing kpt #: 18 total cpu time spent up to now is 56.4 secs Computing kpt #: 19 total cpu time spent up to now is 57.1 secs Computing kpt #: 20 total cpu time spent up to now is 57.8 secs Computing kpt #: 21 total cpu time spent up to now is 58.5 secs Computing kpt #: 22 total cpu time spent up to now is 59.2 secs Computing kpt #: 23 total cpu time spent up to now is 59.9 secs Computing kpt #: 24 total cpu time spent up to now is 60.6 secs Computing kpt #: 25 total cpu time spent up to now is 61.5 secs Computing kpt #: 26 total cpu time spent up to now is 62.2 secs Computing kpt #: 27 total cpu time spent up to now is 62.9 secs Computing kpt #: 28 total cpu time spent up to now is 63.5 secs Computing kpt #: 29 total cpu time spent up to now is 64.2 secs Computing kpt #: 30 total cpu time spent up to now is 64.9 secs Computing kpt #: 31 total cpu time spent up to now is 65.6 secs Computing kpt #: 32 total cpu time spent up to now is 66.3 secs Computing kpt #: 33 total cpu time spent up to now is 67.1 secs Computing kpt #: 34 total cpu time spent up to now is 67.8 secs Computing kpt #: 35 total cpu time spent up to now is 68.5 secs Computing kpt #: 36 total cpu time spent up to now is 69.2 secs Computing kpt #: 37 total cpu time spent up to now is 69.8 secs Computing kpt #: 38 total cpu time spent up to now is 70.4 secs Computing kpt #: 39 total cpu time spent up to now is 71.0 secs Computing kpt #: 40 total cpu time spent up to now is 71.7 secs Computing kpt #: 41 total cpu time spent up to now is 72.3 secs Computing kpt #: 42 total cpu time spent up to now is 73.1 secs Computing kpt #: 43 total cpu time spent up to now is 73.8 secs Computing kpt #: 44 total cpu time spent up to now is 74.5 secs Computing kpt #: 45 total cpu time spent up to now is 75.2 secs Computing kpt #: 46 total cpu time spent up to now is 75.8 secs Computing kpt #: 47 total cpu time spent up to now is 76.5 secs Computing kpt #: 48 total cpu time spent up to now is 77.1 secs Computing kpt #: 49 total cpu time spent up to now is 77.7 secs Computing kpt #: 50 total cpu time spent up to now is 78.3 secs Computing kpt #: 51 total cpu time spent up to now is 78.9 secs Computing kpt #: 52 total cpu time spent up to now is 79.5 secs Computing kpt #: 53 total cpu time spent up to now is 80.2 secs Computing kpt #: 54 total cpu time spent up to now is 80.8 secs Computing kpt #: 55 total cpu time spent up to now is 81.3 secs Computing kpt #: 56 total cpu time spent up to now is 81.9 secs Computing kpt #: 57 total cpu time spent up to now is 82.4 secs Computing kpt #: 58 total cpu time spent up to now is 83.0 secs Computing kpt #: 59 total cpu time spent up to now is 83.6 secs Computing kpt #: 60 total cpu time spent up to now is 84.1 secs Computing kpt #: 61 total cpu time spent up to now is 84.7 secs Computing kpt #: 62 total cpu time spent up to now is 85.3 secs Computing kpt #: 63 total cpu time spent up to now is 86.0 secs Computing kpt #: 64 total cpu time spent up to now is 86.7 secs Computing kpt #: 65 total cpu time spent up to now is 87.2 secs Computing kpt #: 66 total cpu time spent up to now is 87.8 secs Computing kpt #: 67 total cpu time spent up to now is 88.4 secs Computing kpt #: 68 total cpu time spent up to now is 88.9 secs Computing kpt #: 69 total cpu time spent up to now is 89.5 secs Computing kpt #: 70 total cpu time spent up to now is 90.1 secs Computing kpt #: 71 total cpu time spent up to now is 90.7 secs Computing kpt #: 72 total cpu time spent up to now is 91.4 secs Computing kpt #: 73 total cpu time spent up to now is 92.0 secs Computing kpt #: 74 total cpu time spent up to now is 92.6 secs Computing kpt #: 75 total cpu time spent up to now is 93.3 secs Computing kpt #: 76 total cpu time spent up to now is 94.5 secs Computing kpt #: 77 total cpu time spent up to now is 95.3 secs Computing kpt #: 78 total cpu time spent up to now is 96.0 secs Computing kpt #: 79 total cpu time spent up to now is 96.7 secs Computing kpt #: 80 total cpu time spent up to now is 97.4 secs Computing kpt #: 81 total cpu time spent up to now is 98.1 secs Computing kpt #: 82 total cpu time spent up to now is 98.7 secs Computing kpt #: 83 total cpu time spent up to now is 99.3 secs Computing kpt #: 84 total cpu time spent up to now is 100.2 secs Computing kpt #: 85 total cpu time spent up to now is 100.9 secs Computing kpt #: 86 total cpu time spent up to now is 101.6 secs Computing kpt #: 87 total cpu time spent up to now is 102.3 secs Computing kpt #: 88 total cpu time spent up to now is 103.0 secs Computing kpt #: 89 total cpu time spent up to now is 103.8 secs Computing kpt #: 90 total cpu time spent up to now is 104.5 secs Computing kpt #: 91 total cpu time spent up to now is 105.3 secs Computing kpt #: 92 total cpu time spent up to now is 106.1 secs Computing kpt #: 93 total cpu time spent up to now is 106.8 secs Computing kpt #: 94 total cpu time spent up to now is 107.5 secs Computing kpt #: 95 total cpu time spent up to now is 108.3 secs Computing kpt #: 96 total cpu time spent up to now is 109.2 secs Computing kpt #: 97 total cpu time spent up to now is 110.0 secs Computing kpt #: 98 total cpu time spent up to now is 110.7 secs Computing kpt #: 99 total cpu time spent up to now is 111.4 secs Computing kpt #: 100 total cpu time spent up to now is 112.1 secs Computing kpt #: 101 total cpu time spent up to now is 112.8 secs Computing kpt #: 102 total cpu time spent up to now is 113.6 secs Computing kpt #: 103 total cpu time spent up to now is 114.4 secs Computing kpt #: 104 total cpu time spent up to now is 115.1 secs Computing kpt #: 105 total cpu time spent up to now is 116.0 secs Computing kpt #: 106 total cpu time spent up to now is 116.7 secs Computing kpt #: 107 total cpu time spent up to now is 117.6 secs Computing kpt #: 108 total cpu time spent up to now is 118.6 secs Computing kpt #: 109 total cpu time spent up to now is 119.5 secs Computing kpt #: 110 total cpu time spent up to now is 120.2 secs Computing kpt #: 111 total cpu time spent up to now is 120.8 secs Computing kpt #: 112 total cpu time spent up to now is 121.5 secs Computing kpt #: 113 total cpu time spent up to now is 122.2 secs Computing kpt #: 114 total cpu time spent up to now is 122.8 secs Computing kpt #: 115 total cpu time spent up to now is 123.5 secs Computing kpt #: 116 total cpu time spent up to now is 124.2 secs Computing kpt #: 117 total cpu time spent up to now is 124.8 secs Computing kpt #: 118 total cpu time spent up to now is 125.4 secs Computing kpt #: 119 total cpu time spent up to now is 126.0 secs Computing kpt #: 120 total cpu time spent up to now is 126.7 secs Computing kpt #: 121 total cpu time spent up to now is 127.3 secs Computing kpt #: 122 total cpu time spent up to now is 128.0 secs Computing kpt #: 123 total cpu time spent up to now is 128.6 secs Computing kpt #: 124 total cpu time spent up to now is 129.2 secs Computing kpt #: 125 total cpu time spent up to now is 129.8 secs Computing kpt #: 126 total cpu time spent up to now is 130.4 secs Computing kpt #: 127 total cpu time spent up to now is 131.0 secs Computing kpt #: 128 total cpu time spent up to now is 131.6 secs Computing kpt #: 129 total cpu time spent up to now is 132.2 secs Computing kpt #: 130 total cpu time spent up to now is 132.9 secs Computing kpt #: 131 total cpu time spent up to now is 133.5 secs Computing kpt #: 132 total cpu time spent up to now is 134.2 secs Computing kpt #: 133 total cpu time spent up to now is 134.8 secs Computing kpt #: 134 total cpu time spent up to now is 135.4 secs Computing kpt #: 135 total cpu time spent up to now is 136.0 secs Computing kpt #: 136 total cpu time spent up to now is 136.7 secs Computing kpt #: 137 total cpu time spent up to now is 137.3 secs Computing kpt #: 138 total cpu time spent up to now is 137.9 secs Computing kpt #: 139 total cpu time spent up to now is 138.6 secs Computing kpt #: 140 total cpu time spent up to now is 139.2 secs Computing kpt #: 141 total cpu time spent up to now is 139.9 secs Computing kpt #: 142 total cpu time spent up to now is 140.5 secs Computing kpt #: 143 total cpu time spent up to now is 141.1 secs Computing kpt #: 144 total cpu time spent up to now is 141.8 secs Computing kpt #: 145 total cpu time spent up to now is 142.4 secs Computing kpt #: 146 total cpu time spent up to now is 143.1 secs Computing kpt #: 147 total cpu time spent up to now is 143.7 secs Computing kpt #: 148 total cpu time spent up to now is 144.4 secs Computing kpt #: 149 total cpu time spent up to now is 145.0 secs Computing kpt #: 150 total cpu time spent up to now is 145.7 secs Computing kpt #: 151 total cpu time spent up to now is 146.4 secs Computing kpt #: 152 total cpu time spent up to now is 147.1 secs Computing kpt #: 153 total cpu time spent up to now is 147.8 secs Computing kpt #: 154 total cpu time spent up to now is 148.4 secs Computing kpt #: 155 total cpu time spent up to now is 149.1 secs Computing kpt #: 156 total cpu time spent up to now is 149.7 secs Computing kpt #: 157 total cpu time spent up to now is 150.4 secs Computing kpt #: 158 total cpu time spent up to now is 151.1 secs Computing kpt #: 159 total cpu time spent up to now is 151.8 secs Computing kpt #: 160 total cpu time spent up to now is 152.4 secs Computing kpt #: 161 total cpu time spent up to now is 153.1 secs Computing kpt #: 162 total cpu time spent up to now is 153.8 secs Computing kpt #: 163 total cpu time spent up to now is 154.5 secs Computing kpt #: 164 total cpu time spent up to now is 155.2 secs Computing kpt #: 165 total cpu time spent up to now is 155.8 secs Computing kpt #: 166 total cpu time spent up to now is 156.5 secs Computing kpt #: 167 total cpu time spent up to now is 157.3 secs Computing kpt #: 168 total cpu time spent up to now is 158.0 secs Computing kpt #: 169 total cpu time spent up to now is 158.7 secs Computing kpt #: 170 total cpu time spent up to now is 159.3 secs Computing kpt #: 171 total cpu time spent up to now is 159.9 secs Computing kpt #: 172 total cpu time spent up to now is 160.6 secs Computing kpt #: 173 total cpu time spent up to now is 161.2 secs Computing kpt #: 174 total cpu time spent up to now is 161.8 secs Computing kpt #: 175 total cpu time spent up to now is 163.0 secs Computing kpt #: 176 total cpu time spent up to now is 163.6 secs Computing kpt #: 177 total cpu time spent up to now is 164.2 secs Computing kpt #: 178 total cpu time spent up to now is 164.8 secs Computing kpt #: 179 total cpu time spent up to now is 165.5 secs Computing kpt #: 180 total cpu time spent up to now is 166.1 secs Computing kpt #: 181 total cpu time spent up to now is 166.7 secs Computing kpt #: 182 total cpu time spent up to now is 167.2 secs Computing kpt #: 183 total cpu time spent up to now is 167.8 secs Computing kpt #: 184 total cpu time spent up to now is 168.4 secs Computing kpt #: 185 total cpu time spent up to now is 169.0 secs Computing kpt #: 186 total cpu time spent up to now is 169.6 secs Computing kpt #: 187 total cpu time spent up to now is 170.2 secs Computing kpt #: 188 total cpu time spent up to now is 170.7 secs Computing kpt #: 189 total cpu time spent up to now is 171.3 secs Computing kpt #: 190 total cpu time spent up to now is 171.9 secs Computing kpt #: 191 total cpu time spent up to now is 172.5 secs Computing kpt #: 192 total cpu time spent up to now is 173.0 secs Computing kpt #: 193 total cpu time spent up to now is 173.6 secs Computing kpt #: 194 total cpu time spent up to now is 174.3 secs Computing kpt #: 195 total cpu time spent up to now is 174.9 secs Computing kpt #: 196 total cpu time spent up to now is 175.5 secs Computing kpt #: 197 total cpu time spent up to now is 176.2 secs Computing kpt #: 198 total cpu time spent up to now is 176.8 secs Computing kpt #: 199 total cpu time spent up to now is 177.5 secs Computing kpt #: 200 total cpu time spent up to now is 178.2 secs Computing kpt #: 201 total cpu time spent up to now is 178.9 secs Computing kpt #: 202 total cpu time spent up to now is 179.5 secs Computing kpt #: 203 total cpu time spent up to now is 180.2 secs Computing kpt #: 204 total cpu time spent up to now is 180.9 secs Computing kpt #: 205 total cpu time spent up to now is 181.6 secs Computing kpt #: 206 total cpu time spent up to now is 182.4 secs Computing kpt #: 207 total cpu time spent up to now is 183.0 secs Computing kpt #: 208 total cpu time spent up to now is 183.7 secs Computing kpt #: 209 total cpu time spent up to now is 184.4 secs Computing kpt #: 210 total cpu time spent up to now is 185.1 secs Computing kpt #: 211 total cpu time spent up to now is 185.7 secs Computing kpt #: 212 total cpu time spent up to now is 186.4 secs Computing kpt #: 213 total cpu time spent up to now is 187.1 secs Computing kpt #: 214 total cpu time spent up to now is 187.8 secs Computing kpt #: 215 total cpu time spent up to now is 188.4 secs Computing kpt #: 216 total cpu time spent up to now is 189.0 secs Computing kpt #: 217 total cpu time spent up to now is 189.7 secs Computing kpt #: 218 total cpu time spent up to now is 190.3 secs Computing kpt #: 219 total cpu time spent up to now is 190.9 secs Computing kpt #: 220 total cpu time spent up to now is 191.6 secs Computing kpt #: 221 total cpu time spent up to now is 192.2 secs Computing kpt #: 222 total cpu time spent up to now is 193.0 secs Computing kpt #: 223 total cpu time spent up to now is 193.7 secs Computing kpt #: 224 total cpu time spent up to now is 194.5 secs Computing kpt #: 225 total cpu time spent up to now is 195.1 secs Computing kpt #: 226 total cpu time spent up to now is 195.8 secs Computing kpt #: 227 total cpu time spent up to now is 196.4 secs Computing kpt #: 228 total cpu time spent up to now is 197.2 secs Computing kpt #: 229 total cpu time spent up to now is 197.8 secs Computing kpt #: 230 total cpu time spent up to now is 198.5 secs Computing kpt #: 231 total cpu time spent up to now is 199.2 secs Computing kpt #: 232 total cpu time spent up to now is 199.8 secs Computing kpt #: 233 total cpu time spent up to now is 200.6 secs Computing kpt #: 234 total cpu time spent up to now is 201.2 secs Computing kpt #: 235 total cpu time spent up to now is 201.9 secs Computing kpt #: 236 total cpu time spent up to now is 202.5 secs Computing kpt #: 237 total cpu time spent up to now is 203.1 secs Computing kpt #: 238 total cpu time spent up to now is 203.8 secs Computing kpt #: 239 total cpu time spent up to now is 204.4 secs Computing kpt #: 240 total cpu time spent up to now is 205.1 secs Computing kpt #: 241 total cpu time spent up to now is 205.8 secs Computing kpt #: 242 total cpu time spent up to now is 206.5 secs Computing kpt #: 243 total cpu time spent up to now is 207.2 secs Computing kpt #: 244 total cpu time spent up to now is 207.8 secs Computing kpt #: 245 total cpu time spent up to now is 208.5 secs Computing kpt #: 246 total cpu time spent up to now is 209.2 secs Computing kpt #: 247 total cpu time spent up to now is 209.9 secs Computing kpt #: 248 total cpu time spent up to now is 210.6 secs Computing kpt #: 249 total cpu time spent up to now is 211.3 secs Computing kpt #: 250 total cpu time spent up to now is 212.2 secs Computing kpt #: 251 total cpu time spent up to now is 212.9 secs Computing kpt #: 252 total cpu time spent up to now is 213.6 secs Computing kpt #: 253 total cpu time spent up to now is 214.3 secs Computing kpt #: 254 total cpu time spent up to now is 215.0 secs Computing kpt #: 255 total cpu time spent up to now is 215.7 secs Computing kpt #: 256 total cpu time spent up to now is 216.4 secs Computing kpt #: 257 total cpu time spent up to now is 217.1 secs Computing kpt #: 258 total cpu time spent up to now is 217.8 secs Computing kpt #: 259 total cpu time spent up to now is 218.6 secs Computing kpt #: 260 total cpu time spent up to now is 219.3 secs Computing kpt #: 261 total cpu time spent up to now is 220.0 secs Computing kpt #: 262 total cpu time spent up to now is 220.7 secs Computing kpt #: 263 total cpu time spent up to now is 221.4 secs Computing kpt #: 264 total cpu time spent up to now is 222.0 secs Computing kpt #: 265 total cpu time spent up to now is 222.9 secs Computing kpt #: 266 total cpu time spent up to now is 223.8 secs Computing kpt #: 267 total cpu time spent up to now is 224.7 secs Computing kpt #: 268 total cpu time spent up to now is 225.6 secs Computing kpt #: 269 total cpu time spent up to now is 226.6 secs Computing kpt #: 270 total cpu time spent up to now is 227.5 secs Computing kpt #: 271 total cpu time spent up to now is 228.4 secs Computing kpt #: 272 total cpu time spent up to now is 229.2 secs Computing kpt #: 273 total cpu time spent up to now is 230.3 secs Computing kpt #: 274 total cpu time spent up to now is 231.1 secs Computing kpt #: 275 total cpu time spent up to now is 231.9 secs Computing kpt #: 276 total cpu time spent up to now is 232.6 secs Computing kpt #: 277 total cpu time spent up to now is 233.3 secs Computing kpt #: 278 total cpu time spent up to now is 234.1 secs Computing kpt #: 279 total cpu time spent up to now is 234.8 secs Computing kpt #: 280 total cpu time spent up to now is 235.5 secs Computing kpt #: 281 total cpu time spent up to now is 236.2 secs Computing kpt #: 282 total cpu time spent up to now is 236.9 secs Computing kpt #: 283 total cpu time spent up to now is 237.5 secs Computing kpt #: 284 total cpu time spent up to now is 238.2 secs Computing kpt #: 285 total cpu time spent up to now is 238.8 secs Computing kpt #: 286 total cpu time spent up to now is 239.5 secs Computing kpt #: 287 total cpu time spent up to now is 240.1 secs Computing kpt #: 288 total cpu time spent up to now is 240.8 secs Computing kpt #: 289 total cpu time spent up to now is 241.5 secs Computing kpt #: 290 total cpu time spent up to now is 242.2 secs Computing kpt #: 291 total cpu time spent up to now is 243.0 secs Computing kpt #: 292 total cpu time spent up to now is 243.6 secs Computing kpt #: 293 total cpu time spent up to now is 244.2 secs Computing kpt #: 294 total cpu time spent up to now is 244.9 secs Computing kpt #: 295 total cpu time spent up to now is 245.5 secs Computing kpt #: 296 total cpu time spent up to now is 246.1 secs Computing kpt #: 297 total cpu time spent up to now is 246.8 secs Computing kpt #: 298 total cpu time spent up to now is 247.5 secs Computing kpt #: 299 total cpu time spent up to now is 248.2 secs Computing kpt #: 300 total cpu time spent up to now is 248.8 secs Computing kpt #: 301 total cpu time spent up to now is 249.4 secs Computing kpt #: 302 total cpu time spent up to now is 249.9 secs Computing kpt #: 303 total cpu time spent up to now is 250.5 secs Computing kpt #: 304 total cpu time spent up to now is 251.2 secs Computing kpt #: 305 total cpu time spent up to now is 251.8 secs Computing kpt #: 306 total cpu time spent up to now is 252.4 secs Computing kpt #: 307 total cpu time spent up to now is 253.1 secs Computing kpt #: 308 total cpu time spent up to now is 253.7 secs Computing kpt #: 309 total cpu time spent up to now is 254.3 secs Computing kpt #: 310 total cpu time spent up to now is 255.0 secs Computing kpt #: 311 total cpu time spent up to now is 255.5 secs Computing kpt #: 312 total cpu time spent up to now is 256.1 secs Computing kpt #: 313 total cpu time spent up to now is 256.7 secs Computing kpt #: 314 total cpu time spent up to now is 257.3 secs Computing kpt #: 315 total cpu time spent up to now is 257.9 secs Computing kpt #: 316 total cpu time spent up to now is 258.5 secs Computing kpt #: 317 total cpu time spent up to now is 259.3 secs Computing kpt #: 318 total cpu time spent up to now is 259.9 secs Computing kpt #: 319 total cpu time spent up to now is 260.5 secs Computing kpt #: 320 total cpu time spent up to now is 261.1 secs Computing kpt #: 321 total cpu time spent up to now is 261.7 secs Computing kpt #: 322 total cpu time spent up to now is 262.3 secs Computing kpt #: 323 total cpu time spent up to now is 262.8 secs Computing kpt #: 324 total cpu time spent up to now is 263.5 secs Computing kpt #: 325 total cpu time spent up to now is 264.1 secs Computing kpt #: 326 total cpu time spent up to now is 264.6 secs Computing kpt #: 327 total cpu time spent up to now is 265.3 secs Computing kpt #: 328 total cpu time spent up to now is 265.9 secs Computing kpt #: 329 total cpu time spent up to now is 266.5 secs Computing kpt #: 330 total cpu time spent up to now is 267.1 secs Computing kpt #: 331 total cpu time spent up to now is 267.7 secs Computing kpt #: 332 total cpu time spent up to now is 268.4 secs Computing kpt #: 333 total cpu time spent up to now is 269.0 secs Computing kpt #: 334 total cpu time spent up to now is 269.6 secs Computing kpt #: 335 total cpu time spent up to now is 270.2 secs Computing kpt #: 336 total cpu time spent up to now is 270.9 secs Computing kpt #: 337 total cpu time spent up to now is 271.5 secs Computing kpt #: 338 total cpu time spent up to now is 272.2 secs Computing kpt #: 339 total cpu time spent up to now is 272.9 secs Computing kpt #: 340 total cpu time spent up to now is 273.5 secs Computing kpt #: 341 total cpu time spent up to now is 274.2 secs Computing kpt #: 342 total cpu time spent up to now is 274.8 secs Computing kpt #: 343 total cpu time spent up to now is 275.4 secs Computing kpt #: 344 total cpu time spent up to now is 276.1 secs Computing kpt #: 345 total cpu time spent up to now is 276.8 secs Computing kpt #: 346 total cpu time spent up to now is 277.5 secs Computing kpt #: 347 total cpu time spent up to now is 278.2 secs Computing kpt #: 348 total cpu time spent up to now is 278.9 secs Computing kpt #: 349 total cpu time spent up to now is 279.5 secs Computing kpt #: 350 total cpu time spent up to now is 280.2 secs Computing kpt #: 351 total cpu time spent up to now is 280.9 secs Computing kpt #: 352 total cpu time spent up to now is 281.5 secs Computing kpt #: 353 total cpu time spent up to now is 282.2 secs Computing kpt #: 354 total cpu time spent up to now is 282.8 secs Computing kpt #: 355 total cpu time spent up to now is 283.6 secs Computing kpt #: 356 total cpu time spent up to now is 284.2 secs Computing kpt #: 357 total cpu time spent up to now is 285.0 secs Computing kpt #: 358 total cpu time spent up to now is 285.8 secs Computing kpt #: 359 total cpu time spent up to now is 286.4 secs Computing kpt #: 360 total cpu time spent up to now is 287.1 secs Computing kpt #: 361 total cpu time spent up to now is 287.7 secs Computing kpt #: 362 total cpu time spent up to now is 288.4 secs Computing kpt #: 363 total cpu time spent up to now is 289.2 secs Computing kpt #: 364 total cpu time spent up to now is 289.9 secs Computing kpt #: 365 total cpu time spent up to now is 290.5 secs Computing kpt #: 366 total cpu time spent up to now is 291.2 secs Computing kpt #: 367 total cpu time spent up to now is 291.9 secs Computing kpt #: 368 total cpu time spent up to now is 292.6 secs Computing kpt #: 369 total cpu time spent up to now is 293.2 secs Computing kpt #: 370 total cpu time spent up to now is 293.9 secs Computing kpt #: 371 total cpu time spent up to now is 294.6 secs Computing kpt #: 372 total cpu time spent up to now is 295.4 secs Computing kpt #: 373 total cpu time spent up to now is 296.3 secs Computing kpt #: 374 total cpu time spent up to now is 297.1 secs Computing kpt #: 375 total cpu time spent up to now is 297.8 secs Computing kpt #: 376 total cpu time spent up to now is 298.5 secs Computing kpt #: 377 total cpu time spent up to now is 299.2 secs Computing kpt #: 378 total cpu time spent up to now is 299.9 secs Computing kpt #: 379 total cpu time spent up to now is 300.7 secs Computing kpt #: 380 total cpu time spent up to now is 301.5 secs Computing kpt #: 381 total cpu time spent up to now is 302.2 secs Computing kpt #: 382 total cpu time spent up to now is 303.0 secs Computing kpt #: 383 total cpu time spent up to now is 303.7 secs Computing kpt #: 384 total cpu time spent up to now is 304.4 secs Computing kpt #: 385 total cpu time spent up to now is 305.1 secs Computing kpt #: 386 total cpu time spent up to now is 305.9 secs Computing kpt #: 387 total cpu time spent up to now is 306.7 secs Computing kpt #: 388 total cpu time spent up to now is 307.5 secs Computing kpt #: 389 total cpu time spent up to now is 308.2 secs Computing kpt #: 390 total cpu time spent up to now is 308.8 secs Computing kpt #: 391 total cpu time spent up to now is 309.4 secs Computing kpt #: 392 total cpu time spent up to now is 310.0 secs Computing kpt #: 393 total cpu time spent up to now is 310.6 secs Computing kpt #: 394 total cpu time spent up to now is 311.2 secs Computing kpt #: 395 total cpu time spent up to now is 311.8 secs Computing kpt #: 396 total cpu time spent up to now is 312.6 secs Computing kpt #: 397 total cpu time spent up to now is 313.3 secs Computing kpt #: 398 total cpu time spent up to now is 313.9 secs Computing kpt #: 399 total cpu time spent up to now is 314.5 secs Computing kpt #: 400 total cpu time spent up to now is 315.1 secs Computing kpt #: 401 total cpu time spent up to now is 315.8 secs Computing kpt #: 402 total cpu time spent up to now is 316.4 secs Computing kpt #: 403 total cpu time spent up to now is 317.0 secs Computing kpt #: 404 total cpu time spent up to now is 317.6 secs Computing kpt #: 405 total cpu time spent up to now is 318.5 secs Computing kpt #: 406 total cpu time spent up to now is 319.1 secs Computing kpt #: 407 total cpu time spent up to now is 319.7 secs Computing kpt #: 408 total cpu time spent up to now is 320.2 secs Computing kpt #: 409 total cpu time spent up to now is 320.8 secs Computing kpt #: 410 total cpu time spent up to now is 321.4 secs Computing kpt #: 411 total cpu time spent up to now is 322.0 secs Computing kpt #: 412 total cpu time spent up to now is 322.6 secs Computing kpt #: 413 total cpu time spent up to now is 323.2 secs Computing kpt #: 414 total cpu time spent up to now is 323.9 secs Computing kpt #: 415 total cpu time spent up to now is 324.7 secs Computing kpt #: 416 total cpu time spent up to now is 325.4 secs Computing kpt #: 417 total cpu time spent up to now is 326.2 secs Computing kpt #: 418 total cpu time spent up to now is 327.1 secs Computing kpt #: 419 total cpu time spent up to now is 327.9 secs Computing kpt #: 420 total cpu time spent up to now is 328.5 secs Computing kpt #: 421 total cpu time spent up to now is 329.2 secs Computing kpt #: 422 total cpu time spent up to now is 329.9 secs Computing kpt #: 423 total cpu time spent up to now is 330.6 secs Computing kpt #: 424 total cpu time spent up to now is 331.3 secs Computing kpt #: 425 total cpu time spent up to now is 332.0 secs Computing kpt #: 426 total cpu time spent up to now is 332.6 secs Computing kpt #: 427 total cpu time spent up to now is 333.2 secs Computing kpt #: 428 total cpu time spent up to now is 333.8 secs Computing kpt #: 429 total cpu time spent up to now is 334.4 secs Computing kpt #: 430 total cpu time spent up to now is 335.0 secs Computing kpt #: 431 total cpu time spent up to now is 335.6 secs Computing kpt #: 432 total cpu time spent up to now is 336.2 secs Computing kpt #: 433 total cpu time spent up to now is 336.9 secs Computing kpt #: 434 total cpu time spent up to now is 337.5 secs Computing kpt #: 435 total cpu time spent up to now is 338.1 secs Computing kpt #: 436 total cpu time spent up to now is 338.7 secs Computing kpt #: 437 total cpu time spent up to now is 339.3 secs Computing kpt #: 438 total cpu time spent up to now is 339.9 secs Computing kpt #: 439 total cpu time spent up to now is 340.4 secs Computing kpt #: 440 total cpu time spent up to now is 341.1 secs Computing kpt #: 441 total cpu time spent up to now is 341.7 secs Computing kpt #: 442 total cpu time spent up to now is 342.3 secs Computing kpt #: 443 total cpu time spent up to now is 343.1 secs Computing kpt #: 444 total cpu time spent up to now is 343.7 secs Computing kpt #: 445 total cpu time spent up to now is 344.4 secs Computing kpt #: 446 total cpu time spent up to now is 345.1 secs ethr = 3.57E-11, avg # of iterations = 22.1 total cpu time spent up to now is 345.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2053 PWs) bands (ev): -20.7006 -20.7006 -15.9331 -15.9331 -6.0340 -6.0340 -3.1500 -3.1500 -2.9489 -2.9489 -2.1874 -2.1874 1.2359 1.2359 1.2970 1.2970 1.7735 1.7735 2.3744 2.3744 2.6248 2.6248 3.5616 3.5616 3.7671 3.7671 4.1936 4.1936 7.1699 7.1699 8.3724 8.3724 14.3657 14.3657 14.5483 14.5483 k =-0.0055 0.0054 0.0114 ( 2053 PWs) bands (ev): -20.7006 -20.7005 -15.9331 -15.9331 -6.0340 -6.0338 -3.1499 -3.1497 -2.9490 -2.9489 -2.1882 -2.1878 1.2354 1.2365 1.2924 1.3001 1.7729 1.7754 2.3730 2.3767 2.6239 2.6252 3.5463 3.5754 3.7540 3.7816 4.1935 4.1945 7.1686 7.1698 8.3730 8.3736 14.3643 14.3681 14.5480 14.5498 k =-0.0111 0.0109 0.0228 ( 2053 PWs) bands (ev): -20.7003 -20.7003 -15.9331 -15.9331 -6.0339 -6.0335 -3.1496 -3.1492 -2.9491 -2.9489 -2.1902 -2.1893 1.2349 1.2371 1.2862 1.3016 1.7737 1.7787 2.3722 2.3797 2.6227 2.6253 3.5301 3.5869 3.7431 3.7968 4.1942 4.1962 7.1660 7.1683 8.3753 8.3766 14.3641 14.3717 14.5490 14.5525 k =-0.0166 0.0163 0.0342 ( 2053 PWs) bands (ev): -20.7000 -20.7000 -15.9331 -15.9331 -6.0336 -6.0330 -3.1489 -3.1483 -2.9492 -2.9490 -2.1933 -2.1919 1.2343 1.2379 1.2786 1.3017 1.7759 1.7831 2.3721 2.3834 2.6211 2.6251 3.5131 3.5949 3.7353 3.8125 4.1957 4.1987 7.1620 7.1655 8.3794 8.3813 14.3649 14.3762 14.5513 14.5565 k =-0.0221 0.0218 0.0456 ( 2053 PWs) bands (ev): -20.6995 -20.6995 -15.9332 -15.9332 -6.0332 -6.0324 -3.1480 -3.1472 -2.9494 -2.9491 -2.1975 -2.1957 1.2335 1.2389 1.2697 1.3007 1.7794 1.7884 2.3725 2.3879 2.6191 2.6245 3.4958 3.5983 3.7320 3.8285 4.1981 4.2020 7.1567 7.1614 8.3853 8.3878 14.3665 14.3816 14.5549 14.5616 k =-0.0276 0.0272 0.0570 ( 2049 PWs) bands (ev): -20.6989 -20.6989 -15.9332 -15.9332 -6.0326 -6.0316 -3.1468 -3.1458 -2.9497 -2.9493 -2.2027 -2.2005 1.2322 1.2399 1.2598 1.2987 1.7842 1.7947 2.3735 2.3931 2.6169 2.6237 3.4782 3.5966 3.7338 3.8446 4.2012 4.2060 7.1502 7.1560 8.3928 8.3959 14.3688 14.3874 14.5601 14.5679 k =-0.0332 0.0327 0.0684 ( 2057 PWs) bands (ev): -20.6982 -20.6982 -15.9333 -15.9333 -6.0319 -6.0307 -3.1452 -3.1440 -2.9500 -2.9496 -2.2090 -2.2063 1.2302 1.2400 1.2498 1.2962 1.7901 1.8015 2.3748 2.3988 2.6144 2.6228 3.4605 3.5900 3.7402 3.8607 4.2052 4.2107 7.1424 7.1494 8.4020 8.4058 14.3715 14.3936 14.5668 14.5754 k =-0.0387 0.0381 0.0798 ( 2059 PWs) bands (ev): -20.6974 -20.6973 -15.9334 -15.9334 -6.0310 -6.0296 -3.1434 -3.1421 -2.9504 -2.9499 -2.2163 -2.2131 1.2271 1.2339 1.2456 1.2938 1.7968 1.8087 2.3764 2.4051 2.6118 2.6218 3.4428 3.5798 3.7503 3.8767 4.2099 4.2161 7.1336 7.1416 8.4129 8.4172 14.3743 14.3996 14.5752 14.5839 k =-0.0442 0.0435 0.0911 ( 2063 PWs) bands (ev): -20.6964 -20.6964 -15.9335 -15.9335 -6.0300 -6.0284 -3.1414 -3.1398 -2.9509 -2.9504 -2.2244 -2.2207 1.2220 1.2228 1.2465 1.2917 1.8044 1.8162 2.3781 2.4117 2.6092 2.6208 3.4252 3.5671 3.7627 3.8927 4.2154 4.2221 7.1237 7.1328 8.4253 8.4302 14.3769 14.4052 14.5852 14.5935 k =-0.0498 0.0490 0.1025 ( 2067 PWs) bands (ev): -20.6953 -20.6952 -15.9336 -15.9336 -6.0289 -6.0271 -3.1390 -3.1373 -2.9516 -2.9511 -2.2333 -2.2292 1.2089 1.2170 1.2484 1.2904 1.8125 1.8239 2.3796 2.4185 2.6067 2.6199 3.4078 3.5529 3.7767 3.9085 4.2217 4.2289 7.1129 7.1230 8.4393 8.4448 14.3791 14.4099 14.5966 14.6036 k =-0.0553 0.0544 0.1139 ( 2067 PWs) bands (ev): -20.6941 -20.6940 -15.9337 -15.9337 -6.0277 -6.0257 -3.1364 -3.1345 -2.9524 -2.9519 -2.2429 -2.2383 1.1952 1.2098 1.2507 1.2900 1.8210 1.8315 2.3811 2.4253 2.6048 2.6195 3.3907 3.5378 3.7916 3.9241 4.2287 4.2362 7.1013 7.1124 8.4548 8.4609 14.3805 14.4136 14.6092 14.6140 k =-0.0608 0.0599 0.1253 ( 2075 PWs) bands (ev): -20.6927 -20.6927 -15.9339 -15.9339 -6.0264 -6.0242 -3.1336 -3.1314 -2.9535 -2.9529 -2.2532 -2.2481 1.1812 1.2013 1.2531 1.2905 1.8297 1.8390 2.3821 2.4316 2.6034 2.6193 3.3739 3.5221 3.8072 3.9395 4.2364 4.2441 7.0889 7.1009 8.4717 8.4784 14.3807 14.4160 14.6221 14.6238 k =-0.0663 0.0653 0.1367 ( 2075 PWs) bands (ev): -20.6913 -20.6912 -15.9341 -15.9341 -6.0250 -6.0226 -3.1305 -3.1281 -2.9547 -2.9542 -2.2639 -2.2583 1.1671 1.1918 1.2558 1.2919 1.8385 1.8462 2.3827 2.4373 2.6032 2.6197 3.3576 3.5062 3.8231 3.9548 4.2447 4.2525 7.0758 7.0888 8.4901 8.4973 14.3794 14.4168 14.6321 14.6342 k =-0.0719 0.0708 0.1481 ( 2073 PWs) bands (ev): -20.6897 -20.6897 -15.9343 -15.9343 -6.0235 -6.0209 -3.1271 -3.1246 -2.9562 -2.9557 -2.2751 -2.2690 1.1529 1.1815 1.2587 1.2940 1.8473 1.8530 2.3827 2.4421 2.6043 2.6208 3.3419 3.4902 3.8392 3.9698 4.2537 4.2614 7.0622 7.0760 8.5098 8.5176 14.3761 14.4159 14.6372 14.6438 k =-0.0774 0.0762 0.1595 ( 2073 PWs) bands (ev): -20.6881 -20.6881 -15.9346 -15.9346 -6.0220 -6.0192 -3.1235 -3.1208 -2.9580 -2.9576 -2.2865 -2.2799 1.1388 1.1706 1.2618 1.2967 1.8558 1.8593 2.3819 2.4455 2.6070 2.6225 3.3267 3.4743 3.8554 3.9845 4.2634 4.2709 7.0481 7.0628 8.5309 8.5393 14.3705 14.4131 14.6372 14.6481 k =-0.0829 0.0816 0.1709 ( 2073 PWs) bands (ev): -20.6864 -20.6863 -15.9349 -15.9348 -6.0204 -6.0174 -3.1197 -3.1169 -2.9602 -2.9598 -2.2981 -2.2910 1.1249 1.1595 1.2650 1.2999 1.8639 1.8650 2.3803 2.4473 2.6116 2.6248 3.3123 3.4585 3.8716 3.9991 4.2736 4.2807 7.0335 7.0491 8.5534 8.5623 14.3616 14.4081 14.6294 14.6433 k =-0.0884 0.0871 0.1823 ( 2073 PWs) bands (ev): -20.6846 -20.6845 -15.9352 -15.9352 -6.0188 -6.0156 -3.1157 -3.1127 -2.9627 -2.9623 -2.3098 -2.3022 1.1113 1.1482 1.2684 1.3035 1.8701 1.8716 2.3778 2.4474 2.6180 2.6278 3.2986 3.4431 3.8877 4.0134 4.2843 4.2910 7.0187 7.0350 8.5772 8.5866 14.3482 14.4005 14.6112 14.6245 k =-0.0940 0.0925 0.1937 ( 2069 PWs) bands (ev): -20.6827 -20.6826 -15.9355 -15.9355 -6.0172 -6.0138 -3.1115 -3.1084 -2.9655 -2.9653 -2.3214 -2.3133 1.0981 1.1369 1.2719 1.3075 1.8745 1.8788 2.3746 2.4460 2.6262 2.6314 3.2857 3.4280 3.9037 4.0274 4.2955 4.3017 7.0037 7.0208 8.6023 8.6123 14.3284 14.3892 14.5808 14.5875 k =-0.0995 0.0980 0.2051 ( 2069 PWs) bands (ev): -20.6807 -20.6807 -15.9360 -15.9359 -6.0155 -6.0119 -3.1072 -3.1039 -2.9688 -2.9687 -2.3329 -2.3242 1.0853 1.1258 1.2755 1.3117 1.8782 1.8854 2.3705 2.4432 2.6355 2.6361 3.2737 3.4132 3.9196 4.0412 4.3071 4.3127 6.9885 7.0063 8.6287 8.6393 14.2982 14.3713 14.5321 14.5397 k =-0.1050 0.1034 0.2165 ( 2069 PWs) bands (ev): -20.6787 -20.6786 -15.9364 -15.9364 -6.0139 -6.0101 -3.1026 -3.0992 -2.9725 -2.9725 -2.3441 -2.3349 1.0730 1.1149 1.2792 1.3162 1.8811 1.8913 2.3657 2.4391 2.6400 2.6473 3.2627 3.3989 3.9353 4.0547 4.3191 4.3241 6.9733 6.9918 8.6565 8.6676 14.2520 14.3381 14.4680 14.4935 k =-0.1106 0.1089 0.2279 ( 2073 PWs) bands (ev): -20.6766 -20.6765 -15.9369 -15.9369 -6.0123 -6.0084 -3.0979 -3.0943 -2.9768 -2.9766 -2.3550 -2.3453 1.0614 1.1045 1.2829 1.3209 1.8833 1.8964 2.3603 2.4340 2.6448 2.6595 3.2527 3.3851 3.9507 4.0679 4.3315 4.3356 6.9581 6.9773 8.6856 8.6974 14.1837 14.2716 14.4168 14.4500 k =-0.1161 0.1143 0.2393 ( 2073 PWs) bands (ev): -20.6745 -20.6744 -15.9375 -15.9374 -6.0108 -6.0067 -3.0931 -3.0894 -2.9815 -2.9812 -2.3654 -2.3552 1.0504 1.0946 1.2868 1.3257 1.8846 1.9007 2.3543 2.4282 2.6497 2.6725 3.2437 3.3718 3.9659 4.0808 4.3441 4.3474 6.9429 6.9628 8.7162 8.7285 14.0928 14.1700 14.3847 14.4131 k =-0.1216 0.1198 0.2506 ( 2079 PWs) bands (ev): -20.6723 -20.6722 -15.9381 -15.9380 -6.0093 -6.0050 -3.0881 -3.0843 -2.9866 -2.9862 -2.3753 -2.3647 1.0400 1.0852 1.2907 1.3307 1.8852 1.9042 2.3479 2.4218 2.6546 2.6861 3.2356 3.3590 3.9807 4.0934 4.3570 4.3593 6.9279 6.9484 8.7482 8.7610 13.9834 14.0487 14.3604 14.3819 k =-0.1271 0.1252 0.2620 ( 2073 PWs) bands (ev): -20.6701 -20.6700 -15.9387 -15.9387 -6.0079 -6.0034 -3.0831 -3.0791 -2.9922 -2.9917 -2.3846 -2.3735 1.0305 1.0765 1.2946 1.3358 1.8850 1.9069 2.3413 2.4152 2.6596 2.7001 3.2287 3.3468 3.9952 4.1057 4.3700 4.3713 6.9132 6.9342 8.7817 8.7951 13.8613 13.9170 14.3376 14.3537 k =-0.1327 0.1306 0.2734 ( 2073 PWs) bands (ev): -20.6678 -20.6677 -15.9395 -15.9394 -6.0067 -6.0020 -3.0779 -3.0738 -2.9981 -2.9975 -2.3934 -2.3818 1.0219 1.0685 1.2985 1.3409 1.8841 1.9087 2.3344 2.4084 2.6643 2.7142 3.2227 3.3351 4.0093 4.1176 4.3830 4.3834 6.8987 6.9203 8.8167 8.8306 13.7308 13.7792 14.3143 14.3264 k =-0.1382 0.1361 0.2848 ( 2065 PWs) bands (ev): -20.6656 -20.6655 -15.9402 -15.9402 -6.0055 -6.0007 -3.0726 -3.0684 -3.0044 -3.0037 -2.4014 -2.3894 1.0141 1.0613 1.3026 1.3462 1.8824 1.9097 2.3275 2.4015 2.6688 2.7283 3.2177 3.3240 4.0231 4.1293 4.3954 4.3960 6.8845 6.9067 8.8534 8.8678 13.5950 13.6380 14.2895 14.2988 k =-0.1437 0.1415 0.2962 ( 2073 PWs) bands (ev): -20.6633 -20.6632 -15.9411 -15.9411 -6.0045 -5.9995 -3.0672 -3.0629 -3.0110 -3.0102 -2.4089 -2.3964 1.0072 1.0549 1.3065 1.3514 1.8801 1.9099 2.3204 2.3945 2.6730 2.7422 3.2135 3.3135 4.0363 4.1404 4.4071 4.4088 6.8707 6.8934 8.8918 8.9067 13.4562 13.4949 14.2629 14.2702 k =-0.1493 0.1470 0.3076 ( 2061 PWs) bands (ev): -20.6610 -20.6609 -15.9420 -15.9420 -6.0036 -5.9984 -3.0618 -3.0574 -3.0178 -3.0169 -2.4156 -2.4027 1.0013 1.0494 1.3105 1.3567 1.8772 1.9093 2.3136 2.3879 2.6769 2.7559 3.2103 3.3036 4.0492 4.1514 4.4188 4.4215 6.8574 6.8805 8.9319 8.9474 13.3159 13.3513 14.2343 14.2401 k =-0.1548 0.1524 0.3190 ( 2057 PWs) bands (ev): -20.6587 -20.6586 -15.9430 -15.9430 -6.0029 -5.9976 -3.0563 -3.0518 -3.0248 -3.0238 -2.4216 -2.4084 0.9964 1.0448 1.3145 1.3620 1.8736 1.9080 2.3068 2.3813 2.6805 2.7693 3.2078 3.2942 4.0615 4.1617 4.4300 4.4338 6.8445 6.8681 8.9739 8.9899 13.1752 13.2081 14.2035 14.2083 k =-0.1603 0.1579 0.3304 ( 2063 PWs) bands (ev): -20.6564 -20.6564 -15.9441 -15.9441 -6.0023 -5.9969 -3.0509 -3.0462 -3.0318 -3.0308 -2.4270 -2.4135 0.9924 1.0412 1.3184 1.3672 1.8695 1.9060 2.3002 2.3750 2.6836 2.7822 3.2059 3.2852 4.0732 4.1716 4.4406 4.4456 6.8320 6.8561 9.0179 9.0343 13.0351 13.0658 14.1706 14.1746 k =-0.1658 0.1633 0.3418 ( 2063 PWs) bands (ev): -20.6542 -20.6541 -15.9452 -15.9452 -6.0020 -5.9964 -3.0457 -3.0407 -3.0385 -3.0377 -2.4318 -2.4180 0.9896 1.0386 1.3223 1.3725 1.8650 1.9033 2.2939 2.3691 2.6864 2.7946 3.2047 3.2769 4.0843 4.1811 4.4507 4.4568 6.8202 6.8447 9.0640 9.0807 12.8961 12.9252 14.1354 14.1389 k =-0.1714 0.1687 0.3532 ( 2065 PWs) bands (ev): -20.6520 -20.6519 -15.9465 -15.9464 -6.0019 -5.9962 -3.0465 -3.0447 -3.0391 -3.0350 -2.4360 -2.4218 0.9878 1.0370 1.3262 1.3776 1.8600 1.9001 2.2880 2.3635 2.6888 2.8064 3.2039 3.2690 4.0949 4.1901 4.4600 4.4673 6.8089 6.8337 9.1122 9.1293 12.7590 12.7866 14.0981 14.1010 k =-0.1769 0.1742 0.3646 ( 2061 PWs) bands (ev): -20.6498 -20.6497 -15.9478 -15.9477 -6.0020 -5.9962 -3.0530 -3.0514 -3.0338 -3.0294 -2.4396 -2.4252 0.9872 1.0365 1.3300 1.3828 1.8546 1.8964 2.2825 2.3585 2.6909 2.8176 3.2035 3.2617 4.1050 4.1985 4.4685 4.4769 6.7982 6.8234 9.1626 9.1801 12.6241 12.6504 14.0586 14.0612 k =-0.1824 0.1796 0.3760 ( 2061 PWs) bands (ev): -20.6476 -20.6475 -15.9492 -15.9491 -6.0024 -5.9964 -3.0594 -3.0579 -3.0283 -3.0238 -2.4427 -2.4281 0.9877 1.0371 1.3338 1.3878 1.8490 1.8922 2.2773 2.3539 2.6927 2.8280 3.2034 3.2549 4.1143 4.2065 4.4759 4.4855 6.7882 6.8137 9.2154 9.2332 12.4918 12.5169 14.0169 14.0192 k =-0.1880 0.1851 0.3874 ( 2053 PWs) bands (ev): -20.6455 -20.6454 -15.9506 -15.9506 -6.0030 -5.9969 -3.0656 -3.0641 -3.0228 -3.0182 -2.4454 -2.4306 0.9893 1.0388 1.3376 1.3927 1.8432 1.8877 2.2728 2.3498 2.6942 2.8379 3.2036 3.2485 4.1231 4.2138 4.4822 4.4930 6.7789 6.8047 9.2707 9.2887 12.3625 12.3866 13.9731 13.9752 k =-0.1935 0.1905 0.3988 ( 2053 PWs) bands (ev): -20.6434 -20.6434 -15.9522 -15.9522 -6.0039 -5.9976 -3.0712 -3.0697 -3.0173 -3.0126 -2.4476 -2.4326 0.9921 1.0416 1.3413 1.3976 1.8371 1.8828 2.2686 2.3463 2.6954 2.8469 3.2039 3.2425 4.1312 4.2205 4.4871 4.4992 6.7702 6.7962 9.3284 9.3467 12.2363 12.2595 13.9272 13.9292 k =-0.1990 0.1960 0.4102 ( 2049 PWs) bands (ev): -20.6414 -20.6413 -15.9538 -15.9538 -6.0050 -5.9987 -3.0764 -3.0749 -3.0118 -3.0071 -2.4495 -2.4344 0.9961 1.0455 1.3450 1.4023 1.8310 1.8778 2.2651 2.3433 2.6964 2.8552 3.2042 3.2370 4.1387 4.2267 4.4905 4.5039 6.7622 6.7884 9.3887 9.4071 12.1136 12.1359 13.8794 13.8812 k =-0.2045 0.2014 0.4215 ( 2053 PWs) bands (ev): -20.6395 -20.6394 -15.9556 -15.9555 -6.0064 -6.0000 -3.0809 -3.0795 -3.0064 -3.0017 -2.4512 -2.4359 1.0012 1.0506 1.3485 1.4069 1.8248 1.8726 2.2621 2.3409 2.6971 2.8626 3.2045 3.2318 4.1454 4.2321 4.4924 4.5072 6.7550 6.7814 9.4516 9.4702 11.9946 12.0161 13.8296 13.8314 k =-0.2101 0.2068 0.4329 ( 2055 PWs) bands (ev): -20.6376 -20.6375 -15.9574 -15.9574 -6.0082 -6.0016 -3.0848 -3.0833 -3.0010 -2.9963 -2.4525 -2.4371 1.0074 1.0568 1.3521 1.4114 1.8187 1.8673 2.2597 2.3391 2.6976 2.8693 3.2048 3.2270 4.1514 4.2369 4.4926 4.5088 6.7486 6.7750 9.5172 9.5358 11.8795 11.9002 13.7780 13.7797 k =-0.2156 0.2123 0.4443 ( 2049 PWs) bands (ev): -20.6358 -20.6357 -15.9593 -15.9592 -6.0102 -6.0035 -3.0879 -3.0864 -2.9956 -2.9910 -2.4536 -2.4382 1.0149 1.0642 1.3556 1.4157 1.8126 1.8620 2.2581 2.3380 2.6980 2.8752 3.2050 3.2227 4.1568 4.2409 4.4910 4.5088 6.7429 6.7694 9.5853 9.6039 11.7685 11.7884 13.7246 13.7263 k =-0.2211 0.2177 0.4557 ( 2049 PWs) bands (ev): -20.6341 -20.6340 -15.9613 -15.9612 -6.0125 -6.0058 -3.0901 -3.0887 -2.9904 -2.9857 -2.4546 -2.4391 1.0235 1.0727 1.3590 1.4199 1.8067 1.8568 2.2569 2.3374 2.6981 2.8803 3.2050 3.2187 4.1614 4.2442 4.4876 4.5070 6.7380 6.7646 9.6560 9.6745 11.6617 11.6809 13.6696 13.6712 k =-0.2267 0.2232 0.4671 ( 2053 PWs) bands (ev): -20.6325 -20.6324 -15.9633 -15.9633 -6.0151 -6.0083 -3.0915 -3.0901 -2.9852 -2.9805 -2.4555 -2.4399 1.0333 1.0823 1.3623 1.4239 1.8009 1.8517 2.2565 2.3375 2.6980 2.8846 3.2048 3.2150 4.1653 4.2467 4.4822 4.5033 6.7339 6.7604 9.7291 9.7474 11.5596 11.5780 13.6130 13.6145 k =-0.2322 0.2286 0.4785 ( 2053 PWs) bands (ev): -20.6309 -20.6308 -15.9655 -15.9654 -6.0180 -6.0111 -3.0919 -3.0906 -2.9800 -2.9754 -2.4563 -2.4407 1.0441 1.0930 1.3657 1.4278 1.7953 1.8467 2.2568 2.3382 2.6978 2.8881 3.2045 3.2116 4.1685 4.2484 4.4748 4.4979 6.7306 6.7571 9.8043 9.8224 11.4622 11.4800 13.5550 13.5565 k =-0.2377 0.2341 0.4899 ( 2057 PWs) bands (ev): -20.6294 -20.6293 -15.9677 -15.9677 -6.0212 -6.0143 -3.0914 -3.0901 -2.9750 -2.9704 -2.4570 -2.4414 1.0561 1.1048 1.3689 1.4315 1.7900 1.8420 2.2578 2.3395 2.6974 2.8908 3.2039 3.2085 4.1708 4.2492 4.4655 4.4906 6.7281 6.7545 9.8813 9.8991 11.3701 11.3872 13.4956 13.4970 k =-0.2432 0.2395 0.5013 ( 2069 PWs) bands (ev): -20.6281 -20.6280 -15.9700 -15.9700 -6.0247 -6.0178 -3.0898 -3.0885 -2.9700 -2.9655 -2.4578 -2.4422 1.0692 1.1176 1.3721 1.4350 1.7850 1.8375 2.2593 2.3414 2.6967 2.8927 3.2030 3.2056 4.1724 4.2491 4.4542 4.4817 6.7264 6.7527 9.9595 9.9769 11.2838 11.3002 13.4349 13.4363 k =-0.2488 0.2449 0.5127 ( 2071 PWs) bands (ev): -20.6268 -20.6267 -15.9724 -15.9724 -6.0286 -6.0216 -3.0872 -3.0860 -2.9651 -2.9607 -2.4585 -2.4430 1.0833 1.1315 1.3753 1.4384 1.7804 1.8333 2.2616 2.3439 2.6960 2.8938 3.2019 3.2032 4.1733 4.2480 4.4411 4.4710 6.7256 6.7517 10.0380 10.0549 11.2042 11.2198 13.3731 13.3745 k =-0.2543 0.2504 0.5241 ( 2077 PWs) bands (ev): -20.6256 -20.6255 -15.9749 -15.9748 -6.0327 -6.0256 -3.0835 -3.0823 -2.9603 -2.9560 -2.4593 -2.4439 1.0984 1.1463 1.3784 1.4416 1.7761 1.8295 2.2646 2.3471 2.6951 2.8940 3.2005 3.2010 4.1733 4.2458 4.4262 4.4589 6.7257 6.7515 10.1155 10.1317 11.1326 11.1474 13.3103 13.3117 k =-0.2598 0.2558 0.5355 ( 2081 PWs) bands (ev): -20.6245 -20.6244 -15.9774 -15.9774 -6.0371 -6.0300 -3.0787 -3.0775 -2.9556 -2.9513 -2.4602 -2.4448 1.1145 1.1621 1.3815 1.4447 1.7721 1.8259 2.2683 2.3509 2.6940 2.8935 3.1988 3.1991 4.1725 4.2426 4.4095 4.4454 6.7266 6.7522 10.1897 10.2050 11.0712 11.0850 13.2465 13.2479 k =-0.2653 0.2613 0.5469 ( 2081 PWs) bands (ev): -20.6235 -20.6234 -15.9800 -15.9799 -6.0418 -6.0347 -3.0727 -3.0716 -2.9510 -2.9468 -2.4612 -2.4459 1.1315 1.1788 1.3846 1.4477 1.7687 1.8228 2.2727 2.3552 2.6928 2.8921 3.1969 3.1975 4.1708 4.2381 4.3914 4.4308 6.7284 6.7537 10.2572 10.2711 11.0234 11.0358 13.1819 13.1833 k =-0.2709 0.2667 0.5583 ( 2085 PWs) bands (ev): -20.6226 -20.6225 -15.9827 -15.9826 -6.0467 -6.0396 -3.0657 -3.0646 -2.9465 -2.9424 -2.4623 -2.4471 1.1493 1.1963 1.3878 1.4506 1.7656 1.8201 2.2776 2.3601 2.6913 2.8899 3.1945 3.1962 4.1682 4.2323 4.3719 4.4153 6.7310 6.7560 10.3130 10.3249 10.9942 11.0048 13.1166 13.1180 k =-0.2764 0.2722 0.5697 ( 2089 PWs) bands (ev): -20.6218 -20.6217 -15.9854 -15.9853 -6.0519 -6.0448 -3.0576 -3.0565 -2.9421 -2.9380 -2.4635 -2.4484 1.1679 1.2146 1.3910 1.4534 1.7630 1.8179 2.2832 2.3656 2.6897 2.8868 3.1918 3.1951 4.1646 4.2249 4.3512 4.3991 6.7346 6.7591 10.3509 10.3601 10.9895 10.9976 13.0508 13.0521 k =-0.2819 0.2776 0.5811 ( 2091 PWs) bands (ev): -20.6211 -20.6210 -15.9881 -15.9881 -6.0574 -6.0503 -3.0483 -3.0473 -2.9378 -2.9338 -2.4649 -2.4499 1.1872 1.2335 1.3944 1.4563 1.7609 1.8161 2.2894 2.3716 2.6879 2.8828 3.1888 3.1944 4.1599 4.2160 4.3297 4.3827 6.7390 6.7631 10.3669 10.3730 11.0129 11.0183 12.9844 12.9858 k =-0.2875 0.2831 0.5924 ( 2093 PWs) bands (ev): -20.6205 -20.6204 -15.9910 -15.9909 -6.0631 -6.0560 -3.0380 -3.0370 -2.9336 -2.9297 -2.4664 -2.4516 1.2070 1.2529 1.3980 1.4592 1.7593 1.8147 2.2960 2.3780 2.6860 2.8779 3.1855 3.1940 4.1540 4.2054 4.3077 4.3663 6.7442 6.7679 10.3614 10.3646 11.0628 11.0659 12.9177 12.9191 k =-0.2930 0.2885 0.6038 ( 2093 PWs) bands (ev): -20.6200 -20.6199 -15.9938 -15.9938 -6.0690 -6.0620 -3.0265 -3.0256 -2.9294 -2.9256 -2.4681 -2.4534 1.2272 1.2727 1.4018 1.4623 1.7581 1.8138 2.3032 2.3849 2.6838 2.8722 3.1818 3.1938 4.1467 4.1931 4.2855 4.3501 6.7504 6.7736 10.3393 10.3404 11.1336 11.1351 12.8508 12.8522 k =-0.2985 0.2939 0.6152 ( 2093 PWs) bands (ev): -20.6196 -20.6195 -15.9967 -15.9967 -6.0751 -6.0681 -3.0141 -3.0132 -2.9254 -2.9217 -2.4699 -2.4554 1.2475 1.2927 1.4060 1.4656 1.7574 1.8134 2.3108 2.3922 2.6815 2.8655 3.1778 3.1940 4.1377 4.1789 4.2636 4.3344 6.7574 6.7801 10.3062 10.3064 11.2191 11.2199 12.7838 12.7852 k =-0.3040 0.2994 0.6266 ( 2093 PWs) bands (ev): -20.6193 -20.6192 -15.9996 -15.9996 -6.0814 -6.0745 -3.0006 -2.9997 -2.9215 -2.9179 -2.4719 -2.4576 1.2678 1.3125 1.4109 1.4695 1.7573 1.8135 2.3188 2.3999 2.6789 2.8578 3.1734 3.1945 4.1267 4.1631 4.2426 4.3194 6.7653 6.7875 10.2662 10.2672 11.3143 11.3153 12.7167 12.7182 k =-0.3096 0.3048 0.6380 ( 2093 PWs) bands (ev): -20.6190 -20.6189 -16.0026 -16.0026 -6.0879 -6.0810 -2.9861 -2.9853 -2.9177 -2.9142 -2.4741 -2.4600 1.2875 1.3320 1.4169 1.4741 1.7576 1.8140 2.3271 2.4079 2.6762 2.8493 3.1687 3.1953 4.1136 4.1458 4.2230 4.3050 6.7740 6.7956 10.2231 10.2247 11.4162 11.4177 12.6498 12.6513 k =-0.3151 0.3103 0.6494 ( 2097 PWs) bands (ev): -20.6189 -20.6188 -16.0056 -16.0055 -6.0945 -6.0877 -2.9708 -2.9699 -2.9139 -2.9105 -2.4764 -2.4625 1.3061 1.3504 1.4242 1.4799 1.7583 1.8150 2.3356 2.4161 2.6732 2.8397 3.1636 3.1963 4.0980 4.1272 4.2050 4.2912 6.7835 6.8046 10.1788 10.1806 11.5223 11.5248 12.5832 12.5848 k =-0.3206 0.3157 0.6608 ( 2101 PWs) bands (ev): -20.6188 -20.6187 -16.0086 -16.0085 -6.1013 -6.0945 -2.9545 -2.9537 -2.9103 -2.9070 -2.4788 -2.4652 1.3231 1.3674 1.4337 1.4875 1.7595 1.8165 2.3442 2.4246 2.6701 2.8293 3.1583 3.1977 4.0802 4.1078 4.1888 4.2778 6.7939 6.8143 10.1342 10.1360 11.6310 11.6349 12.5172 12.5188 k =-0.3262 0.3212 0.6722 ( 2097 PWs) bands (ev): -20.6188 -20.6187 -16.0116 -16.0115 -6.1081 -6.1015 -2.9374 -2.9367 -2.9068 -2.9035 -2.4815 -2.4680 1.3376 1.3821 1.4457 1.4973 1.7612 1.8184 2.3529 2.4332 2.6669 2.8180 3.1529 3.1995 4.0605 4.0878 4.1743 4.2649 6.8050 6.8249 10.0899 10.0916 11.7409 11.7466 12.4519 12.4537 k =-0.3317 0.3266 0.6836 ( 2095 PWs) bands (ev): -20.6189 -20.6188 -16.0146 -16.0145 -6.1151 -6.1085 -2.9196 -2.9190 -2.9033 -2.9000 -2.4842 -2.4710 1.3495 1.3942 1.4607 1.5099 1.7634 1.8208 2.3615 2.4418 2.6636 2.8059 3.1472 3.2016 4.0395 4.0677 4.1611 4.2522 6.8170 6.8362 10.0462 10.0478 11.8504 11.8582 12.3878 12.3899 k =-0.3317 0.3266 0.6836 ( 2095 PWs) bands (ev): -20.6189 -20.6188 -16.0146 -16.0145 -6.1151 -6.1085 -2.9196 -2.9190 -2.9033 -2.9000 -2.4842 -2.4710 1.3495 1.3942 1.4607 1.5099 1.7634 1.8208 2.3615 2.4418 2.6636 2.8059 3.1472 3.2016 4.0395 4.0677 4.1611 4.2522 6.8170 6.8362 10.0462 10.0478 11.8504 11.8582 12.3878 12.3899 k =-0.3235 0.3185 0.6914 ( 2091 PWs) bands (ev): -20.6189 -20.6188 -16.0145 -16.0145 -6.1153 -6.1088 -2.9197 -2.9191 -2.9033 -2.9000 -2.4852 -2.4720 1.3513 1.3960 1.4620 1.5114 1.7634 1.8208 2.3620 2.4424 2.6638 2.8060 3.1471 3.2014 4.0388 4.0672 4.1605 4.2513 6.8160 6.8353 10.0443 10.0459 11.8511 11.8591 12.3902 12.3923 k =-0.3153 0.3104 0.6993 ( 2091 PWs) bands (ev): -20.6189 -20.6188 -16.0144 -16.0144 -6.1162 -6.1098 -2.9199 -2.9193 -2.9031 -2.8999 -2.4882 -2.4751 1.3566 1.4011 1.4663 1.5159 1.7634 1.8206 2.3635 2.4443 2.6644 2.8062 3.1466 3.2009 4.0368 4.0658 4.1586 4.2487 6.8133 6.8325 10.0388 10.0401 11.8534 11.8616 12.3974 12.3996 k =-0.3071 0.3024 0.7071 ( 2087 PWs) bands (ev): -20.6189 -20.6188 -16.0142 -16.0142 -6.1177 -6.1113 -2.9202 -2.9196 -2.9030 -2.8997 -2.4931 -2.4802 1.3647 1.4089 1.4740 1.5242 1.7635 1.8205 2.3659 2.4475 2.6654 2.8065 3.1457 3.1999 4.0335 4.0635 4.1554 4.2444 6.8088 6.8280 10.0295 10.0305 11.8571 11.8658 12.4094 12.4116 k =-0.2989 0.2943 0.7150 ( 2094 PWs) bands (ev): -20.6189 -20.6188 -16.0139 -16.0139 -6.1197 -6.1134 -2.9206 -2.9200 -2.9027 -2.8995 -2.4999 -2.4872 1.3744 1.4182 1.4858 1.5369 1.7637 1.8203 2.3692 2.4517 2.6668 2.8070 3.1445 3.1986 4.0287 4.0602 4.1509 4.2384 6.8024 6.8216 10.0167 10.0172 11.8622 11.8717 12.4261 12.4284 k =-0.2907 0.2862 0.7228 ( 2088 PWs) bands (ev): -20.6189 -20.6188 -16.0136 -16.0136 -6.1223 -6.1160 -2.9211 -2.9205 -2.9024 -2.8993 -2.5085 -2.4960 1.3847 1.4278 1.5029 1.5553 1.7641 1.8203 2.3736 2.4572 2.6686 2.8078 3.1429 3.1969 4.0227 4.0560 4.1454 4.2309 6.7944 6.8135 10.0001 10.0002 11.8688 11.8791 12.4474 12.4499 k =-0.2825 0.2781 0.7306 ( 2084 PWs) bands (ev): -20.6189 -20.6188 -16.0132 -16.0131 -6.1254 -6.1192 -2.9217 -2.9211 -2.9021 -2.8990 -2.5187 -2.5065 1.3944 1.4366 1.5258 1.5798 1.7650 1.8207 2.3787 2.4636 2.6710 2.8088 3.1410 3.1947 4.0155 4.0510 4.1388 4.2218 6.7847 6.8037 9.9796 9.9803 11.8767 11.8881 12.4733 12.4760 k =-0.2743 0.2701 0.7385 ( 2082 PWs) bands (ev): -20.6188 -20.6188 -16.0127 -16.0126 -6.1289 -6.1228 -2.9223 -2.9218 -2.9017 -2.8987 -2.5305 -2.5186 1.4029 1.4441 1.5544 1.6105 1.7666 1.8216 2.3845 2.4711 2.6738 2.8101 3.1387 3.1921 4.0069 4.0450 4.1311 4.2112 6.7734 6.7923 9.9556 9.9571 11.8860 11.8985 12.5037 12.5065 k =-0.2661 0.2620 0.7463 ( 2082 PWs) bands (ev): -20.6188 -20.6188 -16.0121 -16.0121 -6.1329 -6.1269 -2.9230 -2.9224 -2.9012 -2.8984 -2.5436 -2.5321 1.4101 1.4501 1.5881 1.6465 1.7695 1.8235 2.3911 2.4794 2.6771 2.8118 3.1360 3.1890 3.9972 4.0380 4.1224 4.1993 6.7606 6.7794 9.9283 9.9306 11.8965 11.9102 12.5383 12.5414 k =-0.2578 0.2539 0.7542 ( 2084 PWs) bands (ev): -20.6189 -20.6188 -16.0115 -16.0114 -6.1372 -6.1314 -2.9236 -2.9231 -2.9008 -2.8981 -2.5580 -2.5469 1.4161 1.4548 1.6253 1.6864 1.7745 1.8275 2.3983 2.4884 2.6811 2.8140 3.1329 3.1854 3.9863 4.0301 4.1128 4.1861 6.7465 6.7651 9.8978 9.9010 11.9082 11.9233 12.5772 12.5806 k =-0.2578 0.2539 0.7542 ( 2084 PWs) bands (ev): -20.6189 -20.6188 -16.0115 -16.0114 -6.1372 -6.1314 -2.9236 -2.9231 -2.9008 -2.8981 -2.5580 -2.5469 1.4161 1.4548 1.6253 1.6864 1.7745 1.8275 2.3983 2.4884 2.6811 2.8140 3.1329 3.1854 3.9863 4.0301 4.1128 4.1861 6.7465 6.7651 9.8978 9.9010 11.9082 11.9233 12.5772 12.5806 k =-0.2479 0.2441 0.7542 ( 2082 PWs) bands (ev): -20.6187 -20.6187 -16.0093 -16.0093 -6.1371 -6.1314 -2.9342 -2.9337 -2.9021 -2.8994 -2.5694 -2.5585 1.4069 1.4448 1.6561 1.7205 1.7798 1.8321 2.4008 2.4930 2.6862 2.8227 3.1332 3.1807 3.9875 4.0333 4.1122 4.1822 6.7260 6.7448 9.8965 9.9004 11.8582 11.8729 12.6483 12.6515 k =-0.2380 0.2344 0.7542 ( 2084 PWs) bands (ev): -20.6186 -20.6186 -16.0072 -16.0072 -6.1374 -6.1318 -2.9446 -2.9440 -2.9033 -2.9007 -2.5815 -2.5708 1.3970 1.4341 1.6855 1.7519 1.7899 1.8430 2.4038 2.4983 2.6917 2.8313 3.1332 3.1758 3.9875 4.0355 4.1113 4.1778 6.7047 6.7236 9.8940 9.8987 11.8090 11.8235 12.7221 12.7253 k =-0.2281 0.2246 0.7542 ( 2080 PWs) bands (ev): -20.6185 -20.6184 -16.0051 -16.0050 -6.1379 -6.1324 -2.9545 -2.9540 -2.9045 -2.9019 -2.5942 -2.5839 1.3868 1.4231 1.7094 1.7748 1.8084 1.8657 2.4074 2.5046 2.6975 2.8401 3.1329 3.1708 3.9864 4.0367 4.1101 4.1728 6.6828 6.7017 9.8904 9.8960 11.7607 11.7751 12.7984 12.8016 k =-0.2182 0.2148 0.7542 ( 2083 PWs) bands (ev): -20.6184 -20.6183 -16.0030 -16.0029 -6.1386 -6.1332 -2.9641 -2.9636 -2.9055 -2.9030 -2.6075 -2.5975 1.3764 1.4118 1.7255 1.7873 1.8371 1.9013 2.4115 2.5116 2.7038 2.8490 3.1323 3.1656 3.9843 4.0369 4.1082 4.1671 6.6601 6.6790 9.8860 9.8924 11.7136 11.7278 12.8770 12.8803 k =-0.2083 0.2051 0.7542 ( 2081 PWs) bands (ev): -20.6183 -20.6183 -16.0009 -16.0009 -6.1394 -6.1342 -2.9732 -2.9727 -2.9065 -2.9041 -2.6213 -2.6116 1.3661 1.4005 1.7352 1.7937 1.8740 1.9454 2.4160 2.5193 2.7106 2.8582 3.1314 3.1603 3.9813 4.0360 4.1057 4.1610 6.6369 6.6557 9.8808 9.8881 11.6677 11.6819 12.9578 12.9611 k =-0.1983 0.1953 0.7542 ( 2082 PWs) bands (ev): -20.6182 -20.6182 -15.9988 -15.9988 -6.1405 -6.1354 -2.9819 -2.9814 -2.9075 -2.9050 -2.6354 -2.6260 1.3558 1.3891 1.7416 1.7973 1.9158 1.9941 2.4208 2.5277 2.7181 2.8677 3.1303 3.1550 3.9774 4.0341 4.1025 4.1541 6.6134 6.6320 9.8751 9.8832 11.6231 11.6373 13.0404 13.0438 k =-0.1884 0.1855 0.7542 ( 2082 PWs) bands (ev): -20.6182 -20.6181 -15.9968 -15.9968 -6.1417 -6.1368 -2.9901 -2.9896 -2.9083 -2.9060 -2.6497 -2.6407 1.3457 1.3778 1.7463 1.7998 1.9601 2.0452 2.4261 2.5367 2.7264 2.8777 3.1289 3.1497 3.9727 4.0312 4.0983 4.1466 6.5895 6.6079 9.8689 9.8779 11.5799 11.5942 13.1248 13.1282 k =-0.1785 0.1758 0.7542 ( 2082 PWs) bands (ev): -20.6181 -20.6180 -15.9949 -15.9949 -6.1430 -6.1383 -2.9978 -2.9973 -2.9091 -2.9068 -2.6642 -2.6556 1.3359 1.3667 1.7502 1.8018 2.0057 2.0976 2.4317 2.5463 2.7356 2.8883 3.1273 3.1446 3.9673 4.0273 4.0932 4.1382 6.5655 6.5836 9.8624 9.8722 11.5382 11.5525 13.2106 13.2141 k =-0.1686 0.1660 0.7542 ( 2079 PWs) bands (ev): -20.6180 -20.6179 -15.9930 -15.9930 -6.1444 -6.1399 -3.0049 -3.0045 -2.9098 -2.9076 -2.6787 -2.6705 1.3262 1.3557 1.7539 1.8035 2.0515 2.1504 2.4377 2.5563 2.7461 2.8998 3.1256 3.1399 3.9611 4.0224 4.0871 4.1291 6.5416 6.5592 9.8559 9.8663 11.4981 11.5125 13.2976 13.3013 k =-0.1587 0.1562 0.7542 ( 2070 PWs) bands (ev): -20.6179 -20.6178 -15.9912 -15.9911 -6.1459 -6.1415 -3.0115 -3.0110 -2.9104 -2.9083 -2.6932 -2.6854 1.3169 1.3450 1.7575 1.8053 2.0968 2.2028 2.4441 2.5666 2.7581 2.9122 3.1239 3.1357 3.9540 4.0165 4.0801 4.1192 6.5179 6.5350 9.8492 9.8602 11.4597 11.4741 13.3856 13.3895 k =-0.1488 0.1465 0.7542 ( 2070 PWs) bands (ev): -20.6178 -20.6178 -15.9894 -15.9894 -6.1474 -6.1433 -3.0175 -3.0170 -2.9109 -2.9089 -2.7076 -2.7002 1.3080 1.3346 1.7611 1.8069 2.1408 2.2539 2.4509 2.5771 2.7719 2.9255 3.1221 3.1322 3.9459 4.0093 4.0723 4.1086 6.4945 6.5111 9.8427 9.8541 11.4231 11.4373 13.4743 13.4783 k =-0.1388 0.1367 0.7542 ( 2062 PWs) bands (ev): -20.6178 -20.6177 -15.9877 -15.9877 -6.1489 -6.1450 -3.0229 -3.0224 -2.9114 -2.9095 -2.7217 -2.7147 1.2995 1.3245 1.7648 1.8086 2.1831 2.3024 2.4584 2.5876 2.7882 2.9400 3.1205 3.1301 3.9365 4.0008 4.0638 4.0975 6.4717 6.4876 9.8363 9.8481 11.3884 11.4024 13.5634 13.5676 k =-0.1289 0.1269 0.7542 ( 2066 PWs) bands (ev): -20.6177 -20.6177 -15.9862 -15.9861 -6.1504 -6.1468 -3.0277 -3.0273 -2.9119 -2.9101 -2.7355 -2.7289 1.2913 1.3148 1.7686 1.8102 2.2231 2.3471 2.4670 2.5979 2.8070 2.9552 3.1192 3.1295 3.9255 3.9906 4.0550 4.0860 6.4496 6.4647 9.8301 9.8421 11.3555 11.3694 13.6524 13.6568 k =-0.1190 0.1172 0.7542 ( 2069 PWs) bands (ev): -20.6176 -20.6176 -15.9847 -15.9846 -6.1519 -6.1485 -3.0320 -3.0315 -2.9123 -2.9106 -2.7488 -2.7427 1.2837 1.3055 1.7724 1.8117 2.2602 2.3859 2.4776 2.6076 2.8290 2.9709 3.1184 3.1315 3.9125 3.9782 4.0461 4.0746 6.4284 6.4427 9.8243 9.8364 11.3247 11.3382 13.7410 13.7457 k =-0.1091 0.1074 0.7542 ( 2069 PWs) bands (ev): -20.6176 -20.6175 -15.9833 -15.9833 -6.1534 -6.1502 -3.0356 -3.0352 -2.9126 -2.9110 -2.7617 -2.7560 1.2766 1.2967 1.7764 1.8132 2.2943 2.4167 2.4918 2.6167 2.8542 2.9860 3.1185 3.1371 3.8974 3.9636 4.0377 4.0637 6.4083 6.4216 9.8189 9.8308 11.2961 11.3091 13.8286 13.8336 k =-0.0992 0.0977 0.7542 ( 2065 PWs) bands (ev): -20.6175 -20.6175 -15.9820 -15.9820 -6.1548 -6.1519 -3.0387 -3.0383 -2.9129 -2.9114 -2.7739 -2.7687 1.2701 1.2885 1.7803 1.8146 2.3250 2.4380 2.5105 2.6249 2.8823 2.9995 3.1201 3.1476 3.8798 3.9462 4.0300 4.0538 6.3894 6.4018 9.8139 9.8255 11.2696 11.2821 13.9145 13.9200 k =-0.0893 0.0879 0.7542 ( 2065 PWs) bands (ev): -20.6175 -20.6174 -15.9808 -15.9808 -6.1561 -6.1534 -3.0413 -3.0409 -2.9131 -2.9118 -2.7853 -2.7806 1.2641 1.2808 1.7843 1.8157 2.3524 2.4516 2.5316 2.6321 2.9123 3.0103 3.1239 3.1636 3.8596 3.9259 4.0232 4.0448 6.3719 6.3832 9.8094 9.8206 11.2455 11.2572 13.9979 14.0040 k =-0.0793 0.0781 0.7542 ( 2071 PWs) bands (ev): -20.6174 -20.6174 -15.9797 -15.9797 -6.1572 -6.1549 -3.0434 -3.0430 -2.9133 -2.9121 -2.7960 -2.7917 1.2588 1.2737 1.7882 1.8167 2.3764 2.4603 2.5522 2.6380 2.9423 3.0181 3.1314 3.1852 3.8370 3.9028 4.0175 4.0370 6.3559 6.3661 9.8055 9.8159 11.2237 11.2346 14.0776 14.0844 k =-0.0694 0.0684 0.7542 ( 2067 PWs) bands (ev): -20.6174 -20.6174 -15.9788 -15.9787 -6.1583 -6.1563 -3.0450 -3.0446 -2.9134 -2.9124 -2.8056 -2.8019 1.2541 1.2672 1.7921 1.8174 2.3972 2.4665 2.5708 2.6427 2.9698 3.0232 3.1443 3.2114 3.8125 3.8774 4.0128 4.0302 6.3416 6.3506 9.8021 9.8117 11.2045 11.2143 14.1520 14.1598 k =-0.0595 0.0586 0.7542 ( 2067 PWs) bands (ev): -20.6174 -20.6173 -15.9779 -15.9779 -6.1593 -6.1575 -3.0463 -3.0459 -2.9135 -2.9127 -2.8143 -2.8110 1.2502 1.2614 1.7958 1.8178 2.4150 2.4709 2.5868 2.6460 2.9920 3.0263 3.1641 3.2403 3.7867 3.8501 4.0092 4.0244 6.3291 6.3369 9.7992 9.8078 11.1877 11.1965 14.2185 14.2277 k =-0.0496 0.0488 0.7542 ( 2071 PWs) bands (ev): -20.6173 -20.6173 -15.9772 -15.9772 -6.1600 -6.1586 -3.0472 -3.0468 -2.9136 -2.9129 -2.8217 -2.8190 1.2469 1.2563 1.7993 1.8179 2.4300 2.4740 2.6003 2.6481 3.0077 3.0281 3.1910 3.2700 3.7606 3.8213 4.0065 4.0194 6.3184 6.3250 9.7969 9.8044 11.1736 11.1811 14.2736 14.2842 k =-0.0397 0.0391 0.7542 ( 2073 PWs) bands (ev): -20.6173 -20.6173 -15.9766 -15.9766 -6.1607 -6.1595 -3.0478 -3.0475 -2.9137 -2.9131 -2.8280 -2.8258 1.2444 1.2519 1.8026 1.8177 2.4425 2.4759 2.6117 2.6489 3.0177 3.0292 3.2229 3.2981 3.7358 3.7920 4.0047 4.0152 6.3097 6.3150 9.7952 9.8013 11.1621 11.1682 14.3140 14.3250 k =-0.0298 0.0293 0.7542 ( 2072 PWs) bands (ev): -20.6173 -20.6173 -15.9762 -15.9762 -6.1611 -6.1602 -3.0482 -3.0479 -2.9137 -2.9132 -2.8329 -2.8312 1.2426 1.2483 1.8057 1.8171 2.4527 2.4767 2.6212 2.6486 3.0237 3.0298 3.2566 3.3218 3.7146 3.7633 4.0036 4.0116 6.3030 6.3070 9.7941 9.7988 11.1533 11.1580 14.3402 14.3495 k =-0.0198 0.0195 0.7542 ( 2066 PWs) bands (ev): -20.6173 -20.6173 -15.9758 -15.9758 -6.1614 -6.1608 -3.0484 -3.0482 -2.9137 -2.9134 -2.8363 -2.8352 1.2416 1.2454 1.8085 1.8161 2.4608 2.4763 2.6290 2.6470 3.0271 3.0302 3.2889 3.3377 3.6998 3.7367 4.0034 4.0087 6.2984 6.3011 9.7935 9.7967 11.1472 11.1504 14.3562 14.3626 k =-0.0099 0.0098 0.7542 ( 2070 PWs) bands (ev): -20.6173 -20.6173 -15.9756 -15.9756 -6.1616 -6.1613 -3.0485 -3.0484 -2.9136 -2.9135 -2.8383 -2.8378 1.2414 1.2433 1.8109 1.8148 2.4671 2.4747 2.6354 2.6444 3.0289 3.0301 3.3162 3.3426 3.6942 3.7145 4.0037 4.0064 6.2959 6.2972 9.7935 9.7951 11.1439 11.1455 14.3653 14.3685 k = 0.0000 0.0000 0.7542 ( 2068 PWs) bands (ev): -20.6173 -20.6173 -15.9756 -15.9756 -6.1615 -6.1615 -3.0485 -3.0485 -2.9136 -2.9136 -2.8388 -2.8388 1.2420 1.2420 1.8131 1.8131 2.4716 2.4716 2.6405 2.6405 3.0298 3.0298 3.3351 3.3351 3.6994 3.6994 4.0048 4.0048 6.2955 6.2955 9.7941 9.7941 11.1434 11.1434 14.3692 14.3692 k = 0.0000 0.0000 0.7542 ( 2068 PWs) bands (ev): -20.6173 -20.6173 -15.9756 -15.9756 -6.1615 -6.1615 -3.0485 -3.0485 -2.9136 -2.9136 -2.8388 -2.8388 1.2420 1.2420 1.8131 1.8131 2.4716 2.4716 2.6405 2.6405 3.0298 3.0298 3.3351 3.3351 3.6994 3.6994 4.0048 4.0048 6.2955 6.2955 9.7941 9.7941 11.1434 11.1434 14.3692 14.3692 k = 0.0096 0.0098 0.7542 ( 2072 PWs) bands (ev): -20.6173 -20.6173 -15.9756 -15.9756 -6.1615 -6.1614 -3.0504 -3.0495 -2.9137 -2.9120 -2.8385 -2.8378 1.2390 1.2443 1.8080 1.8182 2.4702 2.4731 2.6322 2.6508 3.0251 3.0341 3.3331 3.3369 3.6972 3.7028 4.0009 4.0046 6.2949 6.2973 9.7951 9.7969 11.1417 11.1447 14.3246 14.3990 k = 0.0192 0.0195 0.7542 ( 2068 PWs) bands (ev): -20.6173 -20.6173 -15.9756 -15.9756 -6.1613 -6.1612 -3.0549 -3.0532 -2.9124 -2.9092 -2.8366 -2.8354 1.2354 1.2458 1.8034 1.8233 2.4689 2.4745 2.6261 2.6630 3.0202 3.0379 3.3309 3.3386 3.6960 3.7072 3.9930 4.0005 6.2955 6.3003 9.8000 9.8037 11.1398 11.1457 14.2758 14.3794 k = 0.0288 0.0293 0.7542 ( 2068 PWs) bands (ev): -20.6173 -20.6173 -15.9756 -15.9756 -6.1610 -6.1609 -3.0617 -3.0594 -2.9101 -2.9058 -2.8332 -2.8316 1.2311 1.2466 1.7994 1.8284 2.4678 2.4758 2.6222 2.6768 3.0152 3.0411 3.3284 3.3402 3.6960 3.7125 3.9813 3.9925 6.2973 6.3043 9.8087 9.8142 11.1376 11.1464 14.2249 14.3293 k = 0.0385 0.0391 0.7542 ( 2068 PWs) bands (ev): -20.6173 -20.6173 -15.9756 -15.9755 -6.1606 -6.1604 -3.0700 -3.0674 -2.9075 -2.9026 -2.8282 -2.8263 1.2262 1.2463 1.7964 1.8336 2.4671 2.4770 2.6204 2.6917 3.0102 3.0436 3.3257 3.3416 3.6971 3.7186 3.9658 3.9809 6.3002 6.3095 9.8212 9.8284 11.1350 11.1468 14.1728 14.2726 k = 0.0481 0.0488 0.7542 ( 2066 PWs) bands (ev): -20.6173 -20.6173 -15.9756 -15.9755 -6.1600 -6.1599 -3.0796 -3.0768 -2.9049 -2.8998 -2.8214 -2.8196 1.2205 1.2449 1.7948 1.8390 2.4668 2.4780 2.6205 2.7073 3.0055 3.0453 3.3226 3.3429 3.6992 3.7253 3.9470 3.9659 6.3041 6.3155 9.8372 9.8460 11.1319 11.1469 14.1197 14.2137 k = 0.0577 0.0586 0.7542 ( 2064 PWs) bands (ev): -20.6173 -20.6173 -15.9756 -15.9755 -6.1594 -6.1592 -3.0898 -3.0870 -2.9027 -2.8978 -2.8133 -2.8114 1.2141 1.2422 1.7949 1.8449 2.4670 2.4790 2.6225 2.7232 3.0013 3.0463 3.3191 3.3440 3.7022 3.7324 3.9251 3.9479 6.3090 6.3225 9.8566 9.8670 11.1284 11.1466 14.0662 14.1540 k = 0.0673 0.0684 0.7542 ( 2068 PWs) bands (ev): -20.6173 -20.6173 -15.9756 -15.9755 -6.1587 -6.1584 -3.1006 -3.0978 -2.9012 -2.8965 -2.8040 -2.8021 1.2068 1.2381 1.7971 1.8514 2.4678 2.4798 2.6259 2.7387 2.9979 3.0463 3.3151 3.3450 3.7059 3.7394 3.9007 3.9275 6.3148 6.3301 9.8793 9.8910 11.1243 11.1458 14.0126 14.0941 k = 0.0769 0.0781 0.7542 ( 2062 PWs) bands (ev): -20.6173 -20.6173 -15.9756 -15.9755 -6.1579 -6.1576 -3.1116 -3.1089 -2.9002 -2.8960 -2.7939 -2.7918 1.1986 1.2325 1.8018 1.8589 2.4691 2.4806 2.6308 2.7533 2.9957 3.0455 3.3107 3.3459 3.7101 3.7457 3.8748 3.9054 6.3213 6.3384 9.9048 9.9179 11.1196 11.1446 13.9594 14.0346 k = 0.0865 0.0879 0.7542 ( 2066 PWs) bands (ev): -20.6173 -20.6173 -15.9756 -15.9755 -6.1570 -6.1567 -3.1225 -3.1200 -2.8997 -2.8960 -2.7832 -2.7809 1.1897 1.2255 1.8090 1.8677 2.4709 2.4812 2.6367 2.7666 2.9949 3.0436 3.3056 3.3466 3.7138 3.7499 3.8488 3.8827 6.3285 6.3471 9.9330 9.9472 11.1142 11.1428 13.9067 13.9761 k = 0.0962 0.0977 0.7542 ( 2066 PWs) bands (ev): -20.6173 -20.6173 -15.9756 -15.9755 -6.1560 -6.1557 -3.1334 -3.1311 -2.8997 -2.8964 -2.7722 -2.7696 1.1799 1.2170 1.8189 1.8778 2.4730 2.4818 2.6435 2.7779 2.9959 3.0409 3.2998 3.3471 3.7154 3.7498 3.8254 3.8614 6.3361 6.3562 9.9636 9.9786 11.1081 11.1403 13.8551 13.9188 k = 0.1058 0.1074 0.7542 ( 2060 PWs) bands (ev): -20.6173 -20.6173 -15.9756 -15.9755 -6.1550 -6.1547 -3.1440 -3.1419 -2.9000 -2.8971 -2.7611 -2.7582 1.1695 1.2073 1.8315 1.8896 2.4754 2.4823 2.6511 2.7870 2.9991 3.0373 3.2931 3.3474 3.7104 3.7438 3.8078 3.8451 6.3442 6.3655 9.9962 10.0119 11.1010 11.1371 13.8049 13.8634 k = 0.1154 0.1172 0.7542 ( 2064 PWs) bands (ev): -20.6173 -20.6173 -15.9757 -15.9755 -6.1540 -6.1536 -3.1543 -3.1524 -2.9005 -2.8981 -2.7501 -2.7469 1.1584 1.1964 1.8466 1.9029 2.4777 2.4828 2.6591 2.7935 3.0043 3.0327 3.2855 3.3473 3.6929 3.7342 3.7963 3.8376 6.3525 6.3748 10.0304 10.0466 11.0930 11.1332 13.7564 13.8100 k = 0.1250 0.1269 0.7542 ( 2066 PWs) bands (ev): -20.6173 -20.6173 -15.9757 -15.9755 -6.1529 -6.1525 -3.1642 -3.1625 -2.9013 -2.8993 -2.7393 -2.7358 1.1470 1.1847 1.8641 1.9177 2.4795 2.4838 2.6674 2.7976 3.0117 3.0274 3.2768 3.3469 3.6652 3.7198 3.7918 3.8381 6.3609 6.3842 10.0660 10.0823 11.0840 11.1284 13.7100 13.7592 k = 0.1346 0.1367 0.7542 ( 2068 PWs) bands (ev): -20.6173 -20.6173 -15.9757 -15.9755 -6.1519 -6.1515 -3.1736 -3.1721 -2.9023 -2.9005 -2.7288 -2.7251 1.1354 1.1724 1.8838 1.9340 2.4802 2.4857 2.6757 2.7994 3.0205 3.0217 3.2668 3.3461 3.6327 3.6998 3.7939 3.8427 6.3693 6.3933 10.1025 10.1187 11.0740 11.1228 13.6659 13.7113 k = 0.1442 0.1465 0.7542 ( 2068 PWs) bands (ev): -20.6173 -20.6173 -15.9757 -15.9756 -6.1508 -6.1504 -3.1824 -3.1811 -2.9033 -2.9018 -2.7188 -2.7149 1.1237 1.1599 1.9052 1.9516 2.4800 2.4881 2.6838 2.7995 3.0145 3.0320 3.2556 3.3446 3.5986 3.6770 3.7999 3.8492 6.3775 6.4021 10.1396 10.1553 11.0629 11.1163 13.6244 13.6665 k = 0.1538 0.1562 0.7542 ( 2066 PWs) bands (ev): -20.6173 -20.6173 -15.9757 -15.9756 -6.1498 -6.1494 -3.1906 -3.1895 -2.9043 -2.9032 -2.7093 -2.7052 1.1123 1.1473 1.9281 1.9702 2.4793 2.4906 2.6913 2.7981 3.0074 3.0440 3.2430 3.3423 3.5646 3.6540 3.8079 3.8563 6.3855 6.4106 10.1767 10.1916 11.0508 11.1089 13.5857 13.6251 k = 0.1635 0.1660 0.7542 ( 2074 PWs) bands (ev): -20.6173 -20.6173 -15.9757 -15.9756 -6.1488 -6.1484 -3.1982 -3.1973 -2.9054 -2.9045 -2.7005 -2.6962 1.1013 1.1350 1.9520 1.9895 2.4781 2.4928 2.6980 2.7957 3.0002 3.0568 3.2290 3.3388 3.5320 3.6320 3.8167 3.8632 6.3931 6.4186 10.2135 10.2273 11.0377 11.1007 13.5501 13.5874 k = 0.1731 0.1758 0.7542 ( 2074 PWs) bands (ev): -20.6173 -20.6173 -15.9757 -15.9756 -6.1479 -6.1475 -3.2051 -3.2043 -2.9065 -2.9057 -2.6923 -2.6880 1.0909 1.1232 1.9763 2.0091 2.4766 2.4948 2.7036 2.7928 2.9935 3.0701 3.2138 3.3339 3.5017 3.6119 3.8258 3.8698 6.4003 6.4260 10.2495 10.2617 11.0239 11.0919 13.5178 13.5534 k = 0.1827 0.1855 0.7542 ( 2070 PWs) bands (ev): -20.6173 -20.6173 -15.9757 -15.9756 -6.1471 -6.1466 -3.2113 -3.2106 -2.9075 -2.9068 -2.6850 -2.6805 1.0814 1.1123 2.0006 2.0285 2.4749 2.4964 2.7080 2.7896 2.9877 3.0836 3.1977 3.3268 3.4750 3.5941 3.8348 3.8758 6.4068 6.4327 10.2840 10.2943 11.0096 11.0827 13.4889 13.5234 k = 0.1923 0.1953 0.7542 ( 2068 PWs) bands (ev): -20.6173 -20.6173 -15.9757 -15.9756 -6.1463 -6.1459 -3.2167 -3.2161 -2.9084 -2.9079 -2.6785 -2.6740 1.0728 1.1023 2.0241 2.0471 2.4729 2.4976 2.7108 2.7862 2.9834 3.0970 3.1812 3.3171 3.4529 3.5787 3.8433 3.8809 6.4128 6.4387 10.3165 10.3246 10.9951 11.0733 13.4636 13.4974 k = 0.2019 0.2051 0.7542 ( 2068 PWs) bands (ev): -20.6173 -20.6173 -15.9757 -15.9756 -6.1457 -6.1452 -3.2213 -3.2209 -2.9092 -2.9088 -2.6730 -2.6683 1.0652 1.0935 2.0461 2.0645 2.4708 2.4982 2.7124 2.7828 2.9810 3.1095 3.1653 3.3048 3.4357 3.5659 3.8511 3.8850 6.4179 6.4439 10.3463 10.3520 10.9809 11.0640 13.4420 13.4754 k = 0.2115 0.2148 0.7542 ( 2070 PWs) bands (ev): -20.6173 -20.6173 -15.9757 -15.9756 -6.1451 -6.1446 -3.2251 -3.2248 -2.9100 -2.9095 -2.6683 -2.6636 1.0589 1.0861 2.0659 2.0799 2.4687 2.4984 2.7128 2.7794 2.9806 3.1187 3.1530 3.2904 3.4235 3.5557 3.8581 3.8883 6.4222 6.4482 10.3724 10.3757 10.9677 11.0555 13.4242 13.4574 k = 0.2212 0.2246 0.7542 ( 2068 PWs) bands (ev): -20.6173 -20.6173 -15.9757 -15.9756 -6.1447 -6.1442 -3.2281 -3.2278 -2.9105 -2.9101 -2.6647 -2.6600 1.0539 1.0801 2.0827 2.0926 2.4668 2.4983 2.7126 2.7763 2.9822 3.1179 3.1516 3.2752 3.4152 3.5478 3.8639 3.8906 6.4256 6.4516 10.3936 10.3956 10.9562 11.0481 13.4103 13.4435 k = 0.2308 0.2344 0.7542 ( 2072 PWs) bands (ev): -20.6173 -20.6173 -15.9757 -15.9756 -6.1443 -6.1439 -3.2302 -3.2300 -2.9109 -2.9106 -2.6621 -2.6573 1.0503 1.0758 2.0957 2.1020 2.4652 2.4979 2.7120 2.7736 2.9849 3.1094 3.1592 3.2611 3.4100 3.5423 3.8684 3.8920 6.4281 6.4540 10.4087 10.4114 10.9471 11.0423 13.4003 13.4336 k = 0.2404 0.2441 0.7542 ( 2072 PWs) bands (ev): -20.6173 -20.6173 -15.9757 -15.9756 -6.1441 -6.1437 -3.2315 -3.2313 -2.9112 -2.9108 -2.6605 -2.6557 1.0481 1.0732 2.1042 2.1074 2.4642 2.4975 2.7115 2.7719 2.9874 3.1018 3.1672 3.2503 3.4073 3.5391 3.8713 3.8927 6.4296 6.4555 10.4177 10.4215 10.9413 11.0387 13.3943 13.4276 k = 0.2500 0.2539 0.7542 ( 2072 PWs) bands (ev): -20.6173 -20.6173 -15.9757 -15.9756 -6.1441 -6.1436 -3.2320 -3.2318 -2.9113 -2.9109 -2.6600 -2.6552 1.0474 1.0723 2.1076 2.1088 2.4639 2.4974 2.7114 2.7713 2.9885 3.0989 3.1705 3.2460 3.4064 3.5380 3.8722 3.8930 6.4301 6.4560 10.4207 10.4250 10.9393 11.0374 13.3923 13.4256 k = 0.2500 0.2539 0.7542 ( 2072 PWs) bands (ev): -20.6173 -20.6173 -15.9757 -15.9756 -6.1441 -6.1436 -3.2320 -3.2318 -2.9113 -2.9109 -2.6600 -2.6552 1.0474 1.0723 2.1076 2.1088 2.4639 2.4974 2.7114 2.7713 2.9885 3.0989 3.1705 3.2460 3.4064 3.5380 3.8722 3.8930 6.4301 6.4560 10.4207 10.4250 10.9393 11.0374 13.3923 13.4256 k = 0.2419 0.2618 0.7464 ( 2072 PWs) bands (ev): -20.6173 -20.6173 -15.9757 -15.9756 -6.1437 -6.1433 -3.2318 -3.2316 -2.9107 -2.9103 -2.6601 -2.6553 1.0475 1.0724 2.1061 2.1076 2.4626 2.4964 2.7107 2.7711 2.9853 3.0995 3.1721 3.2449 3.3986 3.5307 3.8817 3.9028 6.4309 6.4567 10.4220 10.4262 10.9383 11.0362 13.3932 13.4264 k = 0.2339 0.2698 0.7387 ( 2072 PWs) bands (ev): -20.6174 -20.6174 -15.9757 -15.9755 -6.1427 -6.1422 -3.2315 -3.2313 -2.9090 -2.9086 -2.6606 -2.6558 1.0480 1.0728 2.1015 2.1039 2.4587 2.4933 2.7086 2.7703 2.9755 3.1011 3.1767 3.2412 3.3784 3.5114 3.9079 3.9295 6.4331 6.4589 10.4257 10.4299 10.9351 11.0327 13.3958 13.4288 k = 0.2258 0.2777 0.7310 ( 2072 PWs) bands (ev): -20.6175 -20.6175 -15.9757 -15.9755 -6.1410 -6.1405 -3.2309 -3.2307 -2.9061 -2.9057 -2.6613 -2.6566 1.0488 1.0735 2.0941 2.0980 2.4521 2.4883 2.7044 2.7686 2.9593 3.1027 3.1846 3.2340 3.3527 3.4859 3.9461 3.9679 6.4368 6.4624 10.4318 10.4360 10.9299 11.0269 13.4000 13.4327 k = 0.2177 0.2857 0.7233 ( 2074 PWs) bands (ev): -20.6177 -20.6177 -15.9756 -15.9755 -6.1386 -6.1382 -3.2302 -3.2299 -2.9020 -2.9016 -2.6623 -2.6576 1.0499 1.0744 2.0841 2.0899 2.4429 2.4812 2.6973 2.7654 2.9372 3.1024 3.1956 3.2226 3.3297 3.4590 3.9916 4.0131 6.4420 6.4672 10.4403 10.4444 10.9228 11.0189 13.4058 13.4381 k = 0.2097 0.2936 0.7156 ( 2074 PWs) bands (ev): -20.6179 -20.6179 -15.9756 -15.9754 -6.1356 -6.1352 -3.2292 -3.2289 -2.8968 -2.8965 -2.6637 -2.6590 1.0513 1.0756 2.0717 2.0798 2.4308 2.4718 2.6861 2.7591 2.9110 3.0963 3.2096 3.2105 3.3141 3.4339 4.0412 4.0619 6.4485 6.4734 10.4510 10.4550 10.9138 11.0087 13.4130 13.4447 k = 0.2016 0.3015 0.7079 ( 2072 PWs) bands (ev): -20.6181 -20.6181 -15.9755 -15.9753 -6.1321 -6.1316 -3.2280 -3.2277 -2.8906 -2.8902 -2.6652 -2.6606 1.0530 1.0771 2.0574 2.0681 2.4155 2.4598 2.6699 2.7475 2.8839 3.0805 3.2049 3.2262 3.3060 3.4124 4.0926 4.1123 6.4563 6.4808 10.4637 10.4677 10.9030 10.9966 13.4215 13.4525 k = 0.1935 0.3095 0.7002 ( 2066 PWs) bands (ev): -20.6184 -20.6184 -15.9754 -15.9753 -6.1279 -6.1274 -3.2266 -3.2263 -2.8832 -2.8829 -2.6671 -2.6625 1.0550 1.0787 2.0415 2.0549 2.3965 2.4446 2.6482 2.7276 2.8604 3.0569 3.2088 3.2451 3.3033 3.3951 4.1443 4.1629 6.4652 6.4892 10.4783 10.4821 10.8907 10.9827 13.4310 13.4613 k = 0.1855 0.3174 0.6925 ( 2070 PWs) bands (ev): -20.6187 -20.6187 -15.9753 -15.9752 -6.1232 -6.1228 -3.2250 -3.2248 -2.8748 -2.8745 -2.6691 -2.6647 1.0572 1.0806 2.0242 2.0405 2.3732 2.4251 2.6215 2.6982 2.8438 3.0309 3.2192 3.2651 3.3045 3.3824 4.1954 4.2128 6.4753 6.4987 10.4945 10.4982 10.8769 10.9671 13.4413 13.4708 k = 0.1774 0.3254 0.6848 ( 2070 PWs) bands (ev): -20.6191 -20.6191 -15.9752 -15.9751 -6.1181 -6.1176 -3.2232 -3.2230 -2.8655 -2.8652 -2.6714 -2.6670 1.0596 1.0826 2.0059 2.0251 2.3448 2.4000 2.5916 2.6620 2.8336 3.0067 3.2324 3.2852 3.3095 3.3747 4.2453 4.2615 6.4863 6.5091 10.5121 10.5157 10.8619 10.9500 13.4523 13.4808 k = 0.1694 0.3333 0.6771 ( 2072 PWs) bands (ev): -20.6195 -20.6195 -15.9751 -15.9750 -6.1125 -6.1121 -3.2214 -3.2211 -2.8552 -2.8549 -2.6739 -2.6696 1.0623 1.0848 1.9867 2.0089 2.3105 2.3676 2.5613 2.6232 2.8277 2.9857 3.2454 3.3024 3.3193 3.3739 4.2937 4.3087 6.4982 6.5203 10.5309 10.5344 10.8458 10.9317 13.4636 13.4912 k = 0.1613 0.3412 0.6694 ( 2070 PWs) bands (ev): -20.6199 -20.6199 -15.9750 -15.9749 -6.1065 -6.1061 -3.2193 -3.2190 -2.8441 -2.8438 -2.6765 -2.6723 1.0651 1.0871 1.9667 1.9920 2.2700 2.3272 2.5331 2.5856 2.8244 2.9682 3.2559 3.3132 3.3346 3.3828 4.3400 4.3539 6.5107 6.5321 10.5506 10.5539 10.8288 10.9123 13.4751 13.5017 k = 0.1532 0.3492 0.6617 ( 2072 PWs) bands (ev): -20.6203 -20.6203 -15.9749 -15.9747 -6.1003 -6.0999 -3.2172 -3.2169 -2.8321 -2.8319 -2.6793 -2.6753 1.0680 1.0895 1.9460 1.9744 2.2234 2.2793 2.5083 2.5510 2.8224 2.9536 3.2635 3.3172 3.3552 3.4010 4.3843 4.3970 6.5238 6.5445 10.5709 10.5741 10.8113 10.8921 13.4865 13.5120 k = 0.1452 0.3571 0.6540 ( 2078 PWs) bands (ev): -20.6208 -20.6208 -15.9748 -15.9746 -6.0938 -6.0934 -3.2149 -3.2146 -2.8195 -2.8192 -2.6822 -2.6783 1.0711 1.0920 1.9244 1.9560 2.1719 2.2261 2.4867 2.5203 2.8212 2.9412 3.2688 3.3173 3.3796 3.4247 4.4262 4.4380 6.5374 6.5572 10.5916 10.5947 10.7932 10.8712 13.4976 13.5219 k = 0.1371 0.3651 0.6463 ( 2080 PWs) bands (ev): -20.6212 -20.6212 -15.9746 -15.9745 -6.0872 -6.0868 -3.2126 -3.2123 -2.8062 -2.8060 -2.6852 -2.6814 1.0743 1.0945 1.9016 1.9364 2.1175 2.1700 2.4678 2.4933 2.8206 2.9306 3.2728 3.3162 3.4064 3.4511 4.4658 4.4766 6.5512 6.5701 10.6125 10.6154 10.7750 10.8499 13.5081 13.5313 k = 0.1290 0.3730 0.6386 ( 2078 PWs) bands (ev): -20.6217 -20.6217 -15.9745 -15.9744 -6.0804 -6.0801 -3.2102 -3.2099 -2.7925 -2.7922 -2.6883 -2.6846 1.0776 1.0971 1.8769 1.9144 2.0630 2.1139 2.4508 2.4696 2.8204 2.9214 3.2759 3.3147 3.4346 3.4785 4.5030 4.5129 6.5651 6.5831 10.6332 10.6360 10.7567 10.8284 13.5180 13.5400 k = 0.1210 0.3809 0.6308 ( 2080 PWs) bands (ev): -20.6221 -20.6221 -15.9744 -15.9743 -6.0737 -6.0733 -3.2077 -3.2074 -2.7783 -2.7781 -2.6914 -2.6879 1.0809 1.0996 1.8492 1.8877 2.0121 2.0605 2.4352 2.4484 2.8204 2.9131 3.2784 3.3132 3.4634 3.5062 4.5377 4.5467 6.5790 6.5961 10.6535 10.6563 10.7387 10.8069 13.5271 13.5479 k = 0.1129 0.3889 0.6231 ( 2080 PWs) bands (ev): -20.6226 -20.6226 -15.9742 -15.9741 -6.0669 -6.0666 -3.2053 -3.2050 -2.7640 -2.7638 -2.6944 -2.6911 1.0841 1.1021 1.8172 1.8532 1.9695 2.0123 2.4206 2.4293 2.8206 2.9056 3.2807 3.3118 3.4924 3.5336 4.5701 4.5782 6.5928 6.6089 10.6730 10.6760 10.7213 10.7856 13.5353 13.5548 k = 0.1048 0.3968 0.6154 ( 2078 PWs) bands (ev): -20.6231 -20.6231 -15.9741 -15.9740 -6.0603 -6.0600 -3.2029 -3.2026 -2.7495 -2.7494 -2.6974 -2.6942 1.0874 1.1045 1.7800 1.8094 1.9376 1.9714 2.4069 2.4120 2.8210 2.8988 3.2827 3.3106 3.5210 3.5604 4.6000 4.6074 6.6062 6.6214 10.6899 10.6950 10.7064 10.7646 13.5425 13.5608 k = 0.0968 0.4048 0.6077 ( 2074 PWs) bands (ev): -20.6235 -20.6235 -15.9740 -15.9739 -6.0538 -6.0535 -3.2005 -3.2002 -2.7352 -2.7350 -2.7002 -2.6973 1.0906 1.1068 1.7379 1.7594 1.9142 1.9384 2.3939 2.3963 2.8215 2.8924 3.2846 3.3095 3.5490 3.5862 4.6275 4.6342 6.6193 6.6334 10.6850 10.7129 10.7132 10.7445 13.5487 13.5657 k = 0.0887 0.4127 0.6000 ( 2070 PWs) bands (ev): -20.6239 -20.6239 -15.9739 -15.9738 -6.0476 -6.0473 -3.1982 -3.1979 -2.7215 -2.7212 -2.7026 -2.7000 1.0937 1.1089 1.6925 1.7073 1.8962 1.9123 2.3817 2.3819 2.8222 2.8865 3.2864 3.3086 3.5759 3.6108 4.6527 4.6586 6.6318 6.6448 10.6703 10.7226 10.7296 10.7322 13.5539 13.5696 k = 0.0806 0.4207 0.5923 ( 2072 PWs) bands (ev): -20.6243 -20.6243 -15.9737 -15.9737 -6.0417 -6.0414 -3.1959 -3.1957 -2.7108 -2.7096 -2.7022 -2.7007 1.0966 1.1109 1.6460 1.6558 1.8815 1.8916 2.3689 2.3702 2.8230 2.8809 3.2880 3.3077 3.6015 3.6338 4.6755 4.6808 6.6436 6.6555 10.6560 10.7052 10.7454 10.7468 13.5582 13.5726 k = 0.0726 0.4286 0.5846 ( 2076 PWs) bands (ev): -20.6247 -20.6247 -15.9736 -15.9736 -6.0362 -6.0359 -3.1938 -3.1936 -2.7101 -2.7079 -2.6922 -2.6919 1.0994 1.1126 1.6002 1.6066 1.8690 1.8748 2.3570 2.3595 2.8240 2.8756 3.2896 3.3069 3.6256 3.6551 4.6960 4.7006 6.6547 6.6655 10.6427 10.6876 10.7601 10.7613 13.5616 13.5747 k = 0.0645 0.4365 0.5769 ( 2072 PWs) bands (ev): -20.6251 -20.6251 -15.9735 -15.9735 -6.0310 -6.0308 -3.1919 -3.1916 -2.7120 -2.7099 -2.6801 -2.6800 1.1021 1.1142 1.5567 1.5607 1.8582 1.8612 2.3465 2.3496 2.8252 2.8708 3.2911 3.3062 3.6479 3.6746 4.7143 4.7183 6.6650 6.6746 10.6308 10.6710 10.7735 10.7745 13.5643 13.5760 k = 0.0565 0.4445 0.5692 ( 2072 PWs) bands (ev): -20.6254 -20.6254 -15.9734 -15.9734 -6.0264 -6.0262 -3.1900 -3.1898 -2.7140 -2.7122 -2.6687 -2.6686 1.1046 1.1154 1.5165 1.5188 1.8489 1.8501 2.3371 2.3407 2.8265 2.8662 3.2925 3.3055 3.6683 3.6919 4.7303 4.7338 6.6743 6.6828 10.6203 10.6558 10.7855 10.7864 13.5663 13.5766 k = 0.0484 0.4524 0.5615 ( 2070 PWs) bands (ev): -20.6257 -20.6257 -15.9733 -15.9733 -6.0222 -6.0221 -3.1884 -3.1882 -2.7159 -2.7142 -2.6583 -2.6583 1.1068 1.1164 1.4804 1.4816 1.8409 1.8409 2.3291 2.3327 2.8280 2.8618 3.2938 3.3049 3.6866 3.7071 4.7442 4.7471 6.6826 6.6899 10.6113 10.6420 10.7960 10.7967 13.5679 13.5768 k = 0.0403 0.4604 0.5538 ( 2064 PWs) bands (ev): -20.6259 -20.6259 -15.9733 -15.9732 -6.0187 -6.0185 -3.1870 -3.1868 -2.7175 -2.7161 -2.6492 -2.6491 1.1088 1.1170 1.4490 1.4494 1.8335 1.8342 2.3223 2.3257 2.8297 2.8577 3.2951 3.3042 3.7028 3.7200 4.7559 4.7583 6.6898 6.6959 10.6040 10.6297 10.8049 10.8055 13.5690 13.5765 k = 0.0323 0.4683 0.5461 ( 2066 PWs) bands (ev): -20.6261 -20.6261 -15.9732 -15.9732 -6.0157 -6.0156 -3.1858 -3.1857 -2.7188 -2.7177 -2.6415 -2.6414 1.1106 1.1174 1.4227 1.4228 1.8277 1.8287 2.3168 2.3198 2.8315 2.8539 3.2963 3.3035 3.7163 3.7302 4.7655 4.7673 6.6959 6.7008 10.5983 10.6191 10.8123 10.8128 13.5699 13.5759 k = 0.0242 0.4762 0.5384 ( 2068 PWs) bands (ev): -20.6263 -20.6263 -15.9732 -15.9731 -6.0133 -6.0133 -3.1849 -3.1848 -2.7198 -2.7190 -2.6353 -2.6353 1.1122 1.1174 1.4017 1.4020 1.8233 1.8243 2.3127 2.3150 2.8336 2.8503 3.2974 3.3027 3.7274 3.7379 4.7729 4.7743 6.7008 6.7045 10.5945 10.6101 10.8180 10.8184 13.5707 13.5752 k = 0.0161 0.4842 0.5307 ( 2064 PWs) bands (ev): -20.6264 -20.6264 -15.9731 -15.9731 -6.0117 -6.0116 -3.1842 -3.1841 -2.7205 -2.7200 -2.6308 -2.6308 1.1136 1.1172 1.3867 1.3870 1.8204 1.8211 2.3098 2.3115 2.8358 2.8469 3.2984 3.3020 3.7359 3.7429 4.7783 4.7792 6.7045 6.7070 10.5925 10.6029 10.8222 10.8224 13.5714 13.5744 k = 0.0081 0.4921 0.5229 ( 2066 PWs) bands (ev): -20.6265 -20.6265 -15.9731 -15.9731 -6.0106 -6.0106 -3.1838 -3.1837 -2.7209 -2.7206 -2.6281 -2.6281 1.1148 1.1166 1.3776 1.3777 1.8187 1.8191 2.3083 2.3091 2.8383 2.8438 3.2994 3.3012 3.7418 3.7453 4.7816 4.7820 6.7070 6.7082 10.5923 10.5975 10.8247 10.8248 13.5721 13.5736 k = 0.0000 0.5001 0.5152 ( 2068 PWs) bands (ev): -20.6265 -20.6265 -15.9731 -15.9731 -6.0103 -6.0103 -3.1836 -3.1836 -2.7209 -2.7209 -2.6272 -2.6272 1.1158 1.1158 1.3746 1.3746 1.8183 1.8183 2.3080 2.3080 2.8409 2.8409 3.3003 3.3003 3.7449 3.7449 4.7828 4.7828 6.7082 6.7082 10.5940 10.5940 10.8256 10.8256 13.5728 13.5728 k = 0.0000 0.5001 0.5152 ( 2068 PWs) bands (ev): -20.6265 -20.6265 -15.9731 -15.9731 -6.0103 -6.0103 -3.1836 -3.1836 -2.7209 -2.7209 -2.6272 -2.6272 1.1158 1.1158 1.3746 1.3746 1.8183 1.8183 2.3080 2.3080 2.8409 2.8409 3.3003 3.3003 3.7449 3.7449 4.7828 4.7828 6.7082 6.7082 10.5940 10.5940 10.8256 10.8256 13.5728 13.5728 k = 0.0111 0.5058 0.5096 ( 2066 PWs) bands (ev): -20.6265 -20.6265 -15.9732 -15.9732 -6.0106 -6.0102 -3.1832 -3.1831 -2.7244 -2.7220 -2.6266 -2.6232 1.1137 1.1189 1.3730 1.3765 1.8118 1.8239 2.3063 2.3102 2.8285 2.8540 3.2970 3.3023 3.7396 3.7520 4.7784 4.7850 6.7074 6.7098 10.5914 10.5923 10.8279 10.8285 13.5685 13.5708 k = 0.0221 0.5116 0.5040 ( 2070 PWs) bands (ev): -20.6264 -20.6264 -15.9734 -15.9734 -6.0114 -6.0105 -3.1819 -3.1816 -2.7316 -2.7275 -2.6218 -2.6156 1.1124 1.1228 1.3716 1.3787 1.8046 1.8287 2.3050 2.3127 2.8168 2.8675 3.2922 3.3029 3.7360 3.7607 4.7717 4.7847 6.7072 6.7119 10.5849 10.5866 10.8353 10.8364 13.5581 13.5625 k = 0.0332 0.5174 0.4984 ( 2071 PWs) bands (ev): -20.6263 -20.6263 -15.9738 -15.9737 -6.0124 -6.0112 -3.1797 -3.1793 -2.7411 -2.7361 -2.6139 -2.6056 1.1121 1.1275 1.3705 1.3812 1.7969 1.8325 2.3041 2.3156 2.8060 2.8812 3.2863 3.3022 3.7343 3.7711 4.7627 4.7822 6.7077 6.7146 10.5751 10.5775 10.8472 10.8486 13.5417 13.5481 k = 0.0442 0.5232 0.4928 ( 2071 PWs) bands (ev): -20.6262 -20.6262 -15.9743 -15.9743 -6.0138 -6.0122 -3.1765 -3.1760 -2.7520 -2.7466 -2.6041 -2.5945 1.1127 1.1330 1.3698 1.3838 1.7888 1.8353 2.3035 2.3188 2.7961 2.8949 3.2792 3.3002 3.7345 3.7829 4.7516 4.7775 6.7087 6.7179 10.5627 10.5657 10.8628 10.8644 13.5197 13.5278 k = 0.0553 0.5290 0.4872 ( 2069 PWs) bands (ev): -20.6260 -20.6260 -15.9749 -15.9749 -6.0155 -6.0135 -3.1725 -3.1718 -2.7636 -2.7581 -2.5933 -2.5826 1.1143 1.1392 1.3693 1.3868 1.7806 1.8372 2.3033 2.3224 2.7873 2.9082 3.2712 3.2970 3.7364 3.7961 4.7384 4.7706 6.7104 6.7217 10.5485 10.5518 10.8814 10.8832 13.4925 13.5020 k = 0.0663 0.5348 0.4816 ( 2068 PWs) bands (ev): -20.6258 -20.6258 -15.9757 -15.9757 -6.0176 -6.0152 -3.1676 -3.1668 -2.7755 -2.7701 -2.5821 -2.5707 1.1168 1.1461 1.3692 1.3900 1.7723 1.8381 2.3034 2.3263 2.7793 2.9209 3.2623 3.2928 3.7401 3.8105 4.7233 4.7615 6.7127 6.7259 10.5328 10.5365 10.9026 10.9043 13.4606 13.4712 k = 0.0774 0.5405 0.4760 ( 2071 PWs) bands (ev): -20.6256 -20.6255 -15.9766 -15.9766 -6.0199 -6.0171 -3.1619 -3.1609 -2.7873 -2.7823 -2.5709 -2.5588 1.1204 1.1537 1.3694 1.3933 1.7642 1.8383 2.3038 2.3304 2.7722 2.9327 3.2528 3.2877 3.7455 3.8260 4.7062 4.7505 6.7154 6.7305 10.5161 10.5201 10.9258 10.9275 13.4244 13.4358 k = 0.0884 0.5463 0.4703 ( 2079 PWs) bands (ev): -20.6253 -20.6253 -15.9776 -15.9776 -6.0226 -6.0194 -3.1554 -3.1543 -2.7989 -2.7943 -2.5600 -2.5473 1.1250 1.1619 1.3700 1.3969 1.7565 1.8377 2.3044 2.3348 2.7659 2.9431 3.2429 3.2818 3.7524 3.8423 4.6874 4.7375 6.7186 6.7353 10.4986 10.5028 10.9508 10.9524 13.3846 13.3963 k = 0.0995 0.5521 0.4647 ( 2077 PWs) bands (ev): -20.6250 -20.6249 -15.9788 -15.9788 -6.0255 -6.0220 -3.1481 -3.1469 -2.8102 -2.8060 -2.5494 -2.5362 1.1305 1.1705 1.3709 1.4007 1.7494 1.8367 2.3051 2.3392 2.7603 2.9521 3.2330 3.2754 3.7609 3.8594 4.6671 4.7229 6.7221 6.7403 10.4805 10.4848 10.9774 10.9790 13.3416 13.3535 k = 0.1106 0.5579 0.4591 ( 2073 PWs) bands (ev): -20.6247 -20.6246 -15.9800 -15.9800 -6.0287 -6.0249 -3.1401 -3.1388 -2.8211 -2.8172 -2.5393 -2.5257 1.1371 1.1797 1.3722 1.4047 1.7430 1.8352 2.3062 2.3439 2.7553 2.9592 3.2231 3.2686 3.7708 3.8771 4.6453 4.7066 6.7260 6.7455 10.4619 10.4664 11.0056 11.0070 13.2961 13.3079 k = 0.1216 0.5637 0.4535 ( 2073 PWs) bands (ev): -20.6243 -20.6242 -15.9814 -15.9814 -6.0322 -6.0280 -3.1315 -3.1300 -2.8313 -2.8279 -2.5298 -2.5159 1.1446 1.1893 1.3739 1.4089 1.7373 1.8333 2.3073 2.3486 2.7506 2.9641 3.2137 3.2616 3.7819 3.8953 4.6222 4.6888 6.7300 6.7506 10.4429 10.4475 11.0352 11.0363 13.2486 13.2599 k = 0.1327 0.5694 0.4479 ( 2077 PWs) bands (ev): -20.6239 -20.6239 -15.9829 -15.9828 -6.0359 -6.0314 -3.1222 -3.1207 -2.8410 -2.8381 -2.5211 -2.5069 1.1532 1.1992 1.3758 1.4132 1.7327 1.8313 2.3085 2.3533 2.7461 2.9667 3.2047 3.2546 3.7942 3.9138 4.5979 4.6697 6.7343 6.7558 10.4235 10.4282 11.0661 11.0671 13.1996 13.2103 k = 0.1437 0.5752 0.4423 ( 2076 PWs) bands (ev): -20.6235 -20.6235 -15.9844 -15.9844 -6.0398 -6.0351 -3.1124 -3.1108 -2.8500 -2.8475 -2.5130 -2.4986 1.1626 1.2094 1.3782 1.4177 1.7290 1.8293 2.3099 2.3582 2.7417 2.9668 3.1966 3.2477 3.8075 3.9325 4.5725 4.6494 6.7386 6.7609 10.4038 10.4085 11.0983 11.0991 13.1495 13.1594 k = 0.1548 0.5810 0.4367 ( 2082 PWs) bands (ev): -20.6232 -20.6231 -15.9861 -15.9860 -6.0439 -6.0389 -3.1021 -3.1005 -2.8583 -2.8563 -2.5058 -2.4912 1.1730 1.2198 1.3808 1.4223 1.7265 1.8273 2.3115 2.3630 2.7372 2.9643 3.1893 3.2411 3.8215 3.9511 4.5462 4.6279 6.7430 6.7659 10.3838 10.3885 11.1318 11.1324 13.0988 13.1078 k = 0.1658 0.5868 0.4311 ( 2084 PWs) bands (ev): -20.6228 -20.6227 -15.9877 -15.9877 -6.0482 -6.0429 -3.0914 -3.0897 -2.8659 -2.8643 -2.4995 -2.4847 1.1842 1.2304 1.3838 1.4271 1.7250 1.8254 2.3133 2.3680 2.7325 2.9595 3.1830 3.2348 3.8362 3.9696 4.5190 4.6055 6.7474 6.7708 10.3636 10.3682 11.1666 11.1670 13.0479 13.0559 k = 0.1769 0.5926 0.4255 ( 2084 PWs) bands (ev): -20.6223 -20.6223 -15.9895 -15.9895 -6.0526 -6.0472 -3.0804 -3.0786 -2.8727 -2.8715 -2.4939 -2.4791 1.1961 1.2411 1.3870 1.4320 1.7246 1.8237 2.3152 2.3730 2.7277 2.9526 3.1777 3.2291 3.8515 3.9880 4.4911 4.5823 6.7519 6.7755 10.3431 10.3477 11.2028 11.2029 12.9970 13.0040 k = 0.1880 0.5984 0.4198 ( 2082 PWs) bands (ev): -20.6219 -20.6219 -15.9913 -15.9913 -6.0572 -6.0515 -3.0690 -3.0672 -2.8787 -2.8780 -2.4892 -2.4743 1.2088 1.2520 1.3905 1.4370 1.7252 1.8222 2.3173 2.3780 2.7225 2.9438 3.1732 3.2239 3.8670 4.0060 4.4625 4.5584 6.7563 6.7800 10.3224 10.3269 11.2400 11.2403 12.9465 12.9524 k = 0.1990 0.6041 0.4142 ( 2082 PWs) bands (ev): -20.6215 -20.6215 -15.9932 -15.9931 -6.0619 -6.0560 -3.0574 -3.0555 -2.8840 -2.8836 -2.4853 -2.4704 1.2220 1.2630 1.3941 1.4422 1.7267 1.8209 2.3197 2.3831 2.7172 2.9335 3.1695 3.2192 3.8827 4.0235 4.4334 4.5338 6.7606 6.7844 10.3015 10.3059 11.2786 11.2792 12.8966 12.9015 k = 0.2101 0.6099 0.4086 ( 2094 PWs) bands (ev): -20.6212 -20.6211 -15.9950 -15.9950 -6.0666 -6.0606 -3.0457 -3.0438 -2.8886 -2.8884 -2.4822 -2.4674 1.2356 1.2742 1.3979 1.4474 1.7290 1.8199 2.3221 2.3881 2.7114 2.9220 3.1664 3.2150 3.8984 4.0404 4.4037 4.5087 6.7649 6.7886 10.2805 10.2847 11.3185 11.3194 12.8475 12.8513 k = 0.2211 0.6157 0.4030 ( 2096 PWs) bands (ev): -20.6208 -20.6207 -15.9969 -15.9969 -6.0714 -6.0652 -3.0338 -3.0319 -2.8926 -2.8922 -2.4799 -2.4651 1.2494 1.2856 1.4019 1.4527 1.7320 1.8191 2.3248 2.3932 2.7057 2.9098 3.1640 3.2113 3.9139 4.0568 4.3736 4.4832 6.7692 6.7926 10.2593 10.2634 11.3598 11.3611 12.7993 12.8022 k = 0.2322 0.6215 0.3974 ( 2095 PWs) bands (ev): -20.6204 -20.6203 -15.9988 -15.9988 -6.0762 -6.0699 -3.0219 -3.0200 -2.8960 -2.8952 -2.4783 -2.4636 1.2631 1.2972 1.4060 1.4581 1.7356 1.8185 2.3277 2.3983 2.6999 2.8973 3.1622 3.2080 3.9292 4.0725 4.3432 4.4574 6.7734 6.7966 10.2381 10.2420 11.4025 11.4042 12.7521 12.7542 k = 0.2432 0.6273 0.3918 ( 2095 PWs) bands (ev): -20.6201 -20.6200 -16.0007 -16.0007 -6.0810 -6.0746 -3.0100 -3.0081 -2.8987 -2.8975 -2.4774 -2.4628 1.2763 1.3093 1.4102 1.4635 1.7394 1.8182 2.3308 2.4035 2.6942 2.8846 3.1607 3.2053 3.9442 4.0875 4.3123 4.4313 6.7777 6.8005 10.2168 10.2205 11.4467 11.4488 12.7060 12.7075 k = 0.2543 0.6330 0.3862 ( 2092 PWs) bands (ev): -20.6198 -20.6197 -16.0026 -16.0025 -6.0857 -6.0792 -2.9981 -2.9963 -2.9007 -2.8992 -2.4770 -2.4626 1.2889 1.3218 1.4146 1.4691 1.7435 1.8180 2.3342 2.4085 2.6888 2.8722 3.1595 3.2030 3.9589 4.1018 4.2812 4.4052 6.7820 6.8043 10.1954 10.1989 11.4924 11.4950 12.6611 12.6622 k = 0.2653 0.6388 0.3806 ( 2092 PWs) bands (ev): -20.6195 -20.6194 -16.0044 -16.0044 -6.0904 -6.0838 -2.9863 -2.9846 -2.9022 -2.9004 -2.4772 -2.4630 1.3006 1.3346 1.4192 1.4746 1.7475 1.8179 2.3377 2.4136 2.6836 2.8602 3.1584 3.2012 3.9731 4.1152 4.2498 4.3790 6.7864 6.8083 10.1741 10.1773 11.5397 11.5428 12.6173 12.6183 k = 0.2764 0.6446 0.3749 ( 2094 PWs) bands (ev): -20.6193 -20.6192 -16.0063 -16.0062 -6.0949 -6.0883 -2.9746 -2.9730 -2.9032 -2.9011 -2.4778 -2.4638 1.3112 1.3475 1.4243 1.4802 1.7512 1.8180 2.3413 2.4186 2.6789 2.8489 3.1572 3.2000 3.9869 4.1278 4.2182 4.3531 6.7909 6.8123 10.1527 10.1556 11.5884 11.5921 12.5748 12.5759 k = 0.2875 0.6504 0.3693 ( 2092 PWs) bands (ev): -20.6191 -20.6190 -16.0080 -16.0080 -6.0993 -6.0927 -2.9630 -2.9616 -2.9038 -2.9014 -2.4787 -2.4649 1.3208 1.3598 1.4300 1.4859 1.7547 1.8181 2.3452 2.4235 2.6747 2.8383 3.1559 3.1993 4.0004 4.1391 4.1866 4.3277 6.7956 6.8165 10.1314 10.1340 11.6386 11.6429 12.5336 12.5350 k = 0.2985 0.6562 0.3637 ( 2098 PWs) bands (ev): -20.6190 -20.6189 -16.0098 -16.0097 -6.1036 -6.0970 -2.9516 -2.9504 -2.9041 -2.9015 -2.4800 -2.4663 1.3294 1.3709 1.4365 1.4915 1.7576 1.8184 2.3491 2.4283 2.6710 2.8287 3.1542 3.1993 4.0134 4.1459 4.1580 4.3034 6.8004 6.8209 10.1101 10.1123 11.6902 11.6952 12.4941 12.4956 k = 0.3096 0.6620 0.3581 ( 2096 PWs) bands (ev): -20.6189 -20.6188 -16.0114 -16.0114 -6.1076 -6.1011 -2.9404 -2.9394 -2.9043 -2.9014 -2.4813 -2.4679 1.3371 1.3805 1.4440 1.4973 1.7601 1.8190 2.3532 2.4330 2.6680 2.8201 3.1522 3.1997 4.0259 4.1209 4.1594 4.2812 6.8056 6.8256 10.0888 10.0908 11.7430 11.7488 12.4563 12.4580 k = 0.3206 0.6677 0.3525 ( 2098 PWs) bands (ev): -20.6189 -20.6188 -16.0130 -16.0130 -6.1115 -6.1049 -2.9295 -2.9287 -2.9041 -2.9010 -2.4828 -2.4695 1.3438 1.3882 1.4523 1.5034 1.7620 1.8197 2.3573 2.4375 2.6655 2.8125 3.1499 3.2005 4.0370 4.0903 4.1634 4.2630 6.8111 6.8307 10.0675 10.0692 11.7966 11.8034 12.4206 12.4226 k = 0.3317 0.6735 0.3469 ( 2095 PWs) bands (ev): -20.6189 -20.6188 -16.0146 -16.0145 -6.1151 -6.1085 -2.9196 -2.9190 -2.9033 -2.9000 -2.4842 -2.4710 1.3495 1.3942 1.4607 1.5099 1.7634 1.8208 2.3615 2.4418 2.6636 2.8059 3.1472 3.2016 4.0395 4.0677 4.1611 4.2522 6.8170 6.8362 10.0462 10.0478 11.8504 11.8582 12.3878 12.3899 k = 0.3317 0.6735 0.3469 ( 2095 PWs) bands (ev): -20.6189 -20.6188 -16.0146 -16.0145 -6.1151 -6.1085 -2.9196 -2.9190 -2.9033 -2.9000 -2.4842 -2.4710 1.3495 1.3942 1.4607 1.5099 1.7634 1.8208 2.3615 2.4418 2.6636 2.8059 3.1472 3.2016 4.0395 4.0677 4.1611 4.2522 6.8170 6.8362 10.0462 10.0478 11.8504 11.8582 12.3878 12.3899 k = 0.3373 0.6680 0.3353 ( 2099 PWs) bands (ev): -20.6191 -20.6190 -16.0176 -16.0176 -6.1222 -6.1158 -2.9019 -2.9016 -2.8988 -2.8953 -2.4871 -2.4742 1.3588 1.4036 1.4787 1.5255 1.7660 1.8236 2.3698 2.4504 2.6601 2.7927 3.1414 3.2041 4.0173 4.0473 4.1487 4.2394 6.8298 6.8484 10.0027 10.0042 11.9590 11.9694 12.3253 12.3278 k = 0.3429 0.6625 0.3238 ( 2095 PWs) bands (ev): -20.6193 -20.6192 -16.0206 -16.0206 -6.1293 -6.1230 -2.8970 -2.8946 -2.8810 -2.8796 -2.4901 -2.4774 1.3658 1.4103 1.4990 1.5435 1.7691 1.8269 2.3779 2.4590 2.6567 2.7789 3.1356 3.2069 3.9949 4.0272 4.1369 4.2267 6.8435 6.8614 9.9603 9.9616 12.0589 12.0723 12.2707 12.2736 k = 0.3485 0.6569 0.3122 ( 2091 PWs) bands (ev): -20.6196 -20.6195 -16.0236 -16.0236 -6.1365 -6.1303 -2.8937 -2.8913 -2.8610 -2.8599 -2.4932 -2.4808 1.3709 1.4149 1.5211 1.5634 1.7726 1.8306 2.3853 2.4672 2.6535 2.7647 3.1300 3.2102 3.9725 4.0077 4.1255 4.2139 6.8578 6.8751 9.9189 9.9200 12.1200 12.1312 12.2565 12.2585 k = 0.3541 0.6514 0.3006 ( 2095 PWs) bands (ev): -20.6199 -20.6198 -16.0266 -16.0266 -6.1437 -6.1376 -2.8907 -2.8883 -2.8405 -2.8394 -2.4963 -2.4843 1.3747 1.4179 1.5443 1.5845 1.7764 1.8347 2.3918 2.4747 2.6506 2.7503 3.1245 3.2137 3.9505 3.9889 4.1143 4.2010 6.8728 6.8894 9.8786 9.8795 12.0974 12.1014 12.3203 12.3326 k = 0.3597 0.6459 0.2891 ( 2095 PWs) bands (ev): -20.6203 -20.6202 -16.0295 -16.0295 -6.1508 -6.1449 -2.8877 -2.8854 -2.8196 -2.8185 -2.4995 -2.4877 1.3776 1.4197 1.5682 1.6064 1.7807 1.8393 2.3972 2.4814 2.6482 2.7358 3.1194 3.2176 3.9290 3.9709 4.1034 4.1880 6.8884 6.9043 9.8395 9.8401 12.0448 12.0466 12.4103 12.4281 k = 0.3653 0.6404 0.2775 ( 2092 PWs) bands (ev): -20.6208 -20.6207 -16.0324 -16.0324 -6.1579 -6.1522 -2.8848 -2.8826 -2.7984 -2.7974 -2.5027 -2.4912 1.3797 1.4207 1.5925 1.6285 1.7854 1.8442 2.4013 2.4870 2.6465 2.7219 3.1149 3.2219 3.9083 3.9539 4.0925 4.1749 6.9045 6.9198 9.8014 9.8018 11.9873 11.9883 12.5002 12.5226 k = 0.3710 0.6349 0.2659 ( 2092 PWs) bands (ev): -20.6212 -20.6212 -16.0353 -16.0352 -6.1649 -6.1594 -2.8821 -2.8800 -2.7771 -2.7760 -2.5059 -2.4947 1.3812 1.4209 1.6168 1.6506 1.7905 1.8496 2.4038 2.4910 2.6457 2.7088 3.1109 3.2265 3.8884 3.9379 4.0817 4.1616 6.9212 6.9357 9.7643 9.7646 11.9292 11.9298 12.5846 12.6114 k = 0.3766 0.6293 0.2544 ( 2086 PWs) bands (ev): -20.6218 -20.6217 -16.0381 -16.0380 -6.1718 -6.1664 -2.8795 -2.8774 -2.7557 -2.7546 -2.5090 -2.4981 1.3824 1.4206 1.6409 1.6724 1.7959 1.8553 2.4047 2.4931 2.6459 2.6972 3.1077 3.2314 3.8694 3.9229 4.0710 4.1482 6.9383 6.9522 9.7284 9.7285 11.8718 11.8721 12.6612 12.6923 k = 0.3822 0.6238 0.2428 ( 2086 PWs) bands (ev): -20.6223 -20.6222 -16.0408 -16.0408 -6.1786 -6.1734 -2.8769 -2.8750 -2.7344 -2.7333 -2.5119 -2.5014 1.3832 1.4199 1.6646 1.6937 1.8017 1.8615 2.4037 2.4927 2.6473 2.6876 3.1054 3.2366 3.8513 3.9088 4.0605 4.1347 6.9558 6.9690 9.6934 9.6934 11.8155 11.8157 12.7283 12.7639 k = 0.3878 0.6183 0.2313 ( 2074 PWs) bands (ev): -20.6229 -20.6228 -16.0434 -16.0434 -6.1852 -6.1802 -2.8745 -2.8727 -2.7134 -2.7122 -2.5147 -2.5045 1.3837 1.4188 1.6876 1.7141 1.8081 1.8681 2.4010 2.4895 2.6500 2.6807 3.1040 3.2421 3.8341 3.8957 4.0500 4.1211 6.9737 6.9861 9.6594 9.6596 11.7606 11.7607 12.7851 12.8249 k = 0.3934 0.6128 0.2197 ( 2082 PWs) bands (ev): -20.6235 -20.6234 -16.0460 -16.0460 -6.1917 -6.1869 -2.8722 -2.8705 -2.6927 -2.6915 -2.5172 -2.5073 1.3839 1.4174 1.7097 1.7335 1.8149 1.8752 2.3964 2.4831 2.6536 2.6761 3.1036 3.2477 3.8179 3.8834 4.0398 4.1075 6.9916 7.0034 9.6265 9.6267 11.7073 11.7073 12.8307 12.8743 k = 0.3990 0.6072 0.2081 ( 2082 PWs) bands (ev): -20.6241 -20.6240 -16.0485 -16.0485 -6.1980 -6.1934 -2.8700 -2.8684 -2.6727 -2.6715 -2.5193 -2.5098 1.3840 1.4158 1.7306 1.7517 1.8224 1.8828 2.3902 2.4741 2.6583 2.6744 3.1043 3.2535 3.8025 3.8720 4.0298 4.0939 7.0097 7.0208 9.5946 9.5949 11.6558 11.6558 12.8652 12.9118 k = 0.4046 0.6017 0.1966 ( 2082 PWs) bands (ev): -20.6247 -20.6246 -16.0509 -16.0509 -6.2040 -6.1996 -2.8679 -2.8664 -2.6536 -2.6523 -2.5207 -2.5117 1.3839 1.4141 1.7500 1.7685 1.8308 1.8909 2.3828 2.4627 2.6638 2.6749 3.1061 3.2594 3.7881 3.8613 4.0201 4.0804 7.0279 7.0383 9.5638 9.5642 11.6063 11.6063 12.8890 12.9375 k = 0.4102 0.5962 0.1850 ( 2084 PWs) bands (ev): -20.6253 -20.6252 -16.0532 -16.0532 -6.2098 -6.2057 -2.8659 -2.8645 -2.6356 -2.6345 -2.5214 -2.5127 1.3837 1.4122 1.7675 1.7838 1.8403 1.8994 2.3742 2.4494 2.6700 2.6774 3.1090 3.2653 3.7746 3.8512 4.0107 4.0671 7.0460 7.0557 9.5342 9.5346 11.5588 11.5589 12.9030 12.9522 k = 0.4158 0.5907 0.1734 ( 2082 PWs) bands (ev): -20.6259 -20.6258 -16.0554 -16.0554 -6.2154 -6.2115 -2.8641 -2.8627 -2.6193 -2.6183 -2.5207 -2.5127 1.3834 1.4101 1.7828 1.7975 1.8510 1.9085 2.3650 2.4350 2.6768 2.6812 3.1132 3.2711 3.7619 3.8417 4.0017 4.0539 7.0639 7.0730 9.5057 9.5062 11.5135 11.5136 12.9085 12.9572 k = 0.4215 0.5851 0.1619 ( 2082 PWs) bands (ev): -20.6264 -20.6264 -16.0575 -16.0575 -6.2207 -6.2170 -2.8623 -2.8611 -2.6052 -2.6045 -2.5183 -2.5110 1.3831 1.4080 1.7959 1.8095 1.8630 1.9179 2.3552 2.4199 2.6837 2.6860 3.1184 3.2768 3.7502 3.8325 3.9931 4.0411 7.0815 7.0900 9.4785 9.4790 11.4706 11.4707 12.9070 12.9540 k = 0.4271 0.5796 0.1503 ( 2086 PWs) bands (ev): -20.6270 -20.6270 -16.0594 -16.0594 -6.2257 -6.2222 -2.8607 -2.8595 -2.5937 -2.5935 -2.5136 -2.5073 1.3826 1.4058 1.8067 1.8200 1.8761 1.9276 2.3452 2.4046 2.6907 2.6913 3.1247 3.2820 3.7394 3.8237 3.9849 4.0286 7.0987 7.1065 9.4525 9.4531 11.4301 11.4302 12.9002 12.9446 k = 0.4327 0.5741 0.1388 ( 2088 PWs) bands (ev): -20.6276 -20.6275 -16.0613 -16.0613 -6.2304 -6.2272 -2.8591 -2.8581 -2.5858 -2.5853 -2.5065 -2.5013 1.3822 1.4036 1.8158 1.8290 1.8896 1.9372 2.3353 2.3893 2.6971 2.6977 3.1321 3.2869 3.7296 3.8151 3.9773 4.0167 7.1154 7.1225 9.4280 9.4285 11.3921 11.3922 12.8895 12.9306 k = 0.4383 0.5686 0.1272 ( 2088 PWs) bands (ev): -20.6281 -20.6280 -16.0630 -16.0630 -6.2347 -6.2318 -2.8577 -2.8568 -2.5809 -2.5798 -2.4974 -2.4933 1.3818 1.4014 1.8235 1.8367 1.9033 1.9467 2.3256 2.3744 2.7029 2.7044 3.1405 3.2911 3.7209 3.8066 3.9703 4.0053 7.1314 7.1379 9.4049 9.4054 11.3568 11.3569 12.8761 12.9138 k = 0.4439 0.5630 0.1156 ( 2084 PWs) bands (ev): -20.6286 -20.6285 -16.0646 -16.0646 -6.2387 -6.2360 -2.8564 -2.8556 -2.5781 -2.5765 -2.4870 -2.4838 1.3814 1.3992 1.8302 1.8431 1.9166 1.9558 2.3163 2.3601 2.7087 2.7109 3.1497 3.2945 3.7134 3.7982 3.9638 3.9946 7.1466 7.1525 9.3833 9.3839 11.3242 11.3243 12.8614 12.8953 k = 0.4495 0.5575 0.1041 ( 2084 PWs) bands (ev): -20.6290 -20.6290 -16.0660 -16.0660 -6.2424 -6.2400 -2.8552 -2.8545 -2.5768 -2.5750 -2.4762 -2.4737 1.3810 1.3971 1.8359 1.8485 1.9293 1.9643 2.3077 2.3465 2.7143 2.7169 3.1597 3.2970 3.7072 3.7898 3.9580 3.9847 7.1608 7.1662 9.3635 9.3640 11.2944 11.2945 12.8461 12.8763 k = 0.4551 0.5520 0.0925 ( 2082 PWs) bands (ev): -20.6294 -20.6294 -16.0673 -16.0673 -6.2457 -6.2435 -2.8542 -2.8535 -2.5764 -2.5744 -2.4655 -2.4636 1.3807 1.3950 1.8410 1.8529 1.9412 1.9720 2.2999 2.3340 2.7196 2.7224 3.1703 3.2982 3.7023 3.7813 3.9528 3.9756 7.1741 7.1788 9.3453 9.3458 11.2675 11.2676 12.8309 12.8574 k = 0.4607 0.5465 0.0809 ( 2080 PWs) bands (ev): -20.6298 -20.6298 -16.0685 -16.0685 -6.2486 -6.2467 -2.8532 -2.8527 -2.5764 -2.5745 -2.4554 -2.4540 1.3805 1.3930 1.8455 1.8565 1.9521 1.9789 2.2929 2.3224 2.7246 2.7274 3.1814 3.2983 3.6989 3.7727 3.9483 3.9674 7.1861 7.1902 9.3290 9.3295 11.2436 11.2437 12.8166 12.8395 k = 0.4663 0.5409 0.0694 ( 2082 PWs) bands (ev): -20.6302 -20.6301 -16.0695 -16.0695 -6.2512 -6.2495 -2.8524 -2.8519 -2.5767 -2.5750 -2.4463 -2.4452 1.3804 1.3911 1.8494 1.8593 1.9620 1.9848 2.2869 2.3120 2.7290 2.7317 3.1929 3.2970 3.6970 3.7640 3.9445 3.9602 7.1968 7.2003 9.3147 9.3150 11.2228 11.2228 12.8036 12.8230 k = 0.4719 0.5354 0.0578 ( 2082 PWs) bands (ev): -20.6304 -20.6304 -16.0704 -16.0703 -6.2533 -6.2519 -2.8517 -2.8513 -2.5771 -2.5756 -2.4383 -2.4374 1.3805 1.3894 1.8528 1.8614 1.9707 1.9896 2.2820 2.3028 2.7329 2.7354 3.2046 3.2943 3.6966 3.7553 3.9413 3.9539 7.2062 7.2091 9.3023 9.3027 11.2050 11.2051 12.7922 12.8082 k = 0.4776 0.5299 0.0463 ( 2082 PWs) bands (ev): -20.6307 -20.6307 -16.0711 -16.0711 -6.2550 -6.2539 -2.8511 -2.8508 -2.5775 -2.5762 -2.4316 -2.4309 1.3806 1.3877 1.8558 1.8628 1.9782 1.9933 2.2783 2.2947 2.7363 2.7384 3.2164 3.2901 3.6977 3.7466 3.9389 3.9486 7.2140 7.2164 9.2921 9.2924 11.1904 11.1905 12.7828 12.7954 k = 0.4832 0.5244 0.0347 ( 2082 PWs) bands (ev): -20.6309 -20.6309 -16.0716 -16.0716 -6.2564 -6.2555 -2.8507 -2.8504 -2.5778 -2.5768 -2.4263 -2.4258 1.3809 1.3862 1.8583 1.8637 1.9845 1.9958 2.2758 2.2881 2.7390 2.7407 3.2281 3.2846 3.7002 3.7382 3.9372 3.9443 7.2203 7.2220 9.2841 9.2843 11.1790 11.1791 12.7756 12.7850 k = 0.4888 0.5188 0.0231 ( 2086 PWs) bands (ev): -20.6310 -20.6310 -16.0720 -16.0720 -6.2573 -6.2567 -2.8503 -2.8502 -2.5780 -2.5773 -2.4224 -2.4221 1.3814 1.3849 1.8603 1.8640 1.9896 1.9970 2.2745 2.2827 2.7410 2.7422 3.2393 3.2776 3.7041 3.7300 3.9363 3.9409 7.2249 7.2260 9.2784 9.2785 11.1709 11.1709 12.7707 12.7770 k = 0.4944 0.5133 0.0116 ( 2086 PWs) bands (ev): -20.6311 -20.6311 -16.0722 -16.0722 -6.2578 -6.2575 -2.8501 -2.8500 -2.5781 -2.5777 -2.4200 -2.4198 1.3820 1.3838 1.8619 1.8638 1.9933 1.9971 2.2746 2.2787 2.7424 2.7430 3.2501 3.2695 3.7092 3.7224 3.9362 3.9384 7.2278 7.2283 9.2749 9.2750 11.1660 11.1660 12.7684 12.7715 k = 0.5000 0.5078-0.0000 ( 2090 PWs) bands (ev): -20.6311 -20.6311 -16.0723 -16.0723 -6.2578 -6.2578 -2.8500 -2.8500 -2.5780 -2.5780 -2.4192 -2.4192 1.3828 1.3828 1.8631 1.8631 1.9958 1.9958 2.2759 2.2759 2.7431 2.7431 3.2601 3.2601 3.7153 3.7153 3.9369 3.9369 7.2289 7.2289 9.2738 9.2738 11.1643 11.1643 12.7686 12.7686 k = 0.5000 0.5078-0.0000 ( 2090 PWs) bands (ev): -20.6311 -20.6311 -16.0723 -16.0723 -6.2578 -6.2578 -2.8500 -2.8500 -2.5780 -2.5780 -2.4192 -2.4192 1.3828 1.3828 1.8631 1.8631 1.9958 1.9958 2.2759 2.2759 2.7431 2.7431 3.2601 3.2601 3.7153 3.7153 3.9369 3.9369 7.2289 7.2289 9.2738 9.2738 11.1643 11.1643 12.7686 12.7686 k = 0.4902 0.4978-0.0000 ( 2086 PWs) bands (ev): -20.6312 -20.6312 -16.0722 -16.0722 -6.2576 -6.2572 -2.8513 -2.8512 -2.5777 -2.5767 -2.4191 -2.4190 1.3780 1.3867 1.8623 1.8646 1.9821 2.0047 2.2750 2.2792 2.7427 2.7433 3.2545 3.2624 3.6759 3.7575 3.9007 3.9749 7.2291 7.2299 9.2740 9.2753 11.1593 11.1650 12.7694 12.7774 k = 0.4804 0.4879-0.0000 ( 2078 PWs) bands (ev): -20.6314 -20.6313 -16.0719 -16.0719 -6.2566 -6.2558 -2.8552 -2.8550 -2.5758 -2.5739 -2.4187 -2.4187 1.3724 1.3897 1.8622 1.8669 1.9638 2.0087 2.2761 2.2847 2.7423 2.7435 3.2455 3.2611 3.6395 3.8021 3.8664 4.0146 7.2304 7.2321 9.2760 9.2785 11.1502 11.1616 12.7794 12.7955 k = 0.4706 0.4779-0.0000 ( 2078 PWs) bands (ev): -20.6317 -20.6317 -16.0714 -16.0713 -6.2548 -6.2535 -2.8615 -2.8611 -2.5724 -2.5696 -2.4182 -2.4181 1.3659 1.3919 1.8621 1.8695 1.9420 2.0087 2.2787 2.2919 2.7417 2.7436 3.2332 3.2564 3.6060 3.8340 3.8491 4.0558 7.2328 7.2353 9.2796 9.2833 11.1376 11.1543 12.7982 12.8223 k = 0.4608 0.4680-0.0000 ( 2074 PWs) bands (ev): -20.6321 -20.6321 -16.0706 -16.0706 -6.2521 -6.2504 -2.8700 -2.8695 -2.5677 -2.5640 -2.4174 -2.4173 1.3586 1.3931 1.8615 1.8705 1.9195 2.0058 2.2823 2.3005 2.7411 2.7435 3.2181 3.2484 3.5755 3.8041 3.8973 4.0981 7.2363 7.2396 9.2847 9.2896 11.1222 11.1438 12.8249 12.8570 k = 0.4510 0.4580-0.0000 ( 2078 PWs) bands (ev): -20.6327 -20.6326 -16.0697 -16.0696 -6.2487 -6.2466 -2.8806 -2.8800 -2.5619 -2.5574 -2.4163 -2.4163 1.3504 1.3935 1.8594 1.8622 1.9044 2.0015 2.2865 2.3098 2.7404 2.7432 3.2004 3.2373 3.5477 3.7762 3.9469 4.1413 7.2407 7.2449 9.2909 9.2969 11.1048 11.1310 12.8585 12.8984 k = 0.4412 0.4480-0.0000 ( 2078 PWs) bands (ev): -20.6334 -20.6333 -16.0685 -16.0684 -6.2445 -6.2420 -2.8931 -2.8923 -2.5552 -2.5498 -2.4151 -2.4150 1.3414 1.3930 1.8384 1.8547 1.9040 1.9978 2.2909 2.3191 2.7397 2.7428 3.1807 3.2236 3.5226 3.7505 3.9974 4.1852 7.2461 7.2510 9.2979 9.3051 11.0866 11.1169 12.8974 12.9451 k = 0.4314 0.4381-0.0000 ( 2074 PWs) bands (ev): -20.6341 -20.6341 -16.0671 -16.0670 -6.2396 -6.2366 -2.9073 -2.9063 -2.5477 -2.5415 -2.4135 -2.4135 1.3316 1.3917 1.8070 1.8465 1.9106 1.9962 2.2952 2.3281 2.7389 2.7423 3.1594 3.2073 3.4999 3.7270 4.0484 4.2294 7.2522 7.2579 9.3053 9.3136 11.0686 11.1026 12.9400 12.9951 k = 0.4216 0.4281-0.0000 ( 2078 PWs) bands (ev): -20.6351 -20.6350 -16.0655 -16.0655 -6.2340 -6.2306 -2.9230 -2.9217 -2.5397 -2.5327 -2.4118 -2.4117 1.3209 1.3894 1.7728 1.8343 1.9201 1.9976 2.2991 2.3363 2.7382 2.7416 3.1369 3.1890 3.4794 3.7055 4.0993 4.2737 7.2589 7.2655 9.3127 9.3220 11.0518 11.0890 12.9846 13.0463 k = 0.4118 0.4182-0.0000 ( 2078 PWs) bands (ev): -20.6361 -20.6360 -16.0637 -16.0636 -6.2277 -6.2240 -2.9399 -2.9385 -2.5312 -2.5235 -2.4097 -2.4096 1.3096 1.3861 1.7375 1.8182 1.9312 2.0023 2.3024 2.3437 2.7374 2.7406 3.1137 3.1691 3.4609 3.6861 4.1498 4.3177 7.2663 7.2736 9.3195 9.3298 11.0374 11.0774 13.0295 13.0961 k = 0.4020 0.4082-0.0000 ( 2072 PWs) bands (ev): -20.6372 -20.6371 -16.0617 -16.0616 -6.2208 -6.2167 -2.9581 -2.9564 -2.5225 -2.5140 -2.4074 -2.4073 1.2976 1.3818 1.7018 1.7990 1.9436 2.0097 2.3051 2.3501 2.7368 2.7395 3.0899 3.1479 3.4445 3.6687 4.1996 4.3611 7.2740 7.2821 9.3252 9.3362 11.0264 11.0687 13.0733 13.1425 k = 0.3922 0.3983-0.0000 ( 2078 PWs) bands (ev): -20.6384 -20.6384 -16.0595 -16.0594 -6.2134 -6.2090 -2.9772 -2.9753 -2.5137 -2.5045 -2.4049 -2.4048 1.2849 1.3764 1.6665 1.7776 1.9568 2.0191 2.3068 2.3555 2.7362 2.7381 3.0657 3.1259 3.4298 3.6532 4.2481 4.4036 7.2819 7.2908 9.3291 9.3408 11.0197 11.0640 13.1151 13.1847 k = 0.3824 0.3883-0.0000 ( 2078 PWs) bands (ev): -20.6398 -20.6397 -16.0571 -16.0570 -6.2055 -6.2007 -2.9972 -2.9951 -2.5049 -2.4950 -2.4020 -2.4019 1.2718 1.3699 1.6320 1.7548 1.9708 2.0300 2.3075 2.3597 2.7356 2.7363 3.0417 3.1038 3.4171 3.6395 4.2953 4.4450 7.2899 7.2996 9.3307 9.3429 11.0183 11.0641 13.1549 13.2231 k = 0.3725 0.3784-0.0000 ( 2066 PWs) bands (ev): -20.6412 -20.6411 -16.0545 -16.0544 -6.1971 -6.1920 -3.0178 -3.0156 -2.4963 -2.4858 -2.3989 -2.3988 1.2584 1.3622 1.5991 1.7312 1.9852 2.0414 2.3070 2.3632 2.7341 2.7350 3.0183 3.0823 3.4063 3.6276 4.3408 4.4850 7.2980 7.3084 9.3296 9.3420 11.0228 11.0698 13.1930 13.2588 k = 0.3627 0.3684-0.0000 ( 2063 PWs) bands (ev): -20.6427 -20.6426 -16.0518 -16.0517 -6.1883 -6.1829 -3.0390 -3.0366 -2.4880 -2.4768 -2.3954 -2.3953 1.2448 1.3531 1.5680 1.7074 1.9998 2.0527 2.3051 2.3658 2.7312 2.7342 2.9958 3.0619 3.3972 3.6173 4.3842 4.5232 7.3058 7.3169 9.3251 9.3376 11.0340 11.0817 13.2299 13.2930 k = 0.3529 0.3584-0.0000 ( 2067 PWs) bands (ev): -20.6443 -20.6442 -16.0488 -16.0487 -6.1793 -6.1736 -3.0606 -3.0581 -2.4801 -2.4683 -2.3917 -2.3916 1.2311 1.3427 1.5393 1.6838 2.0141 2.0631 2.3018 2.3679 2.7275 2.7331 2.9746 3.0433 3.3898 3.6085 4.4253 4.5595 7.3133 7.3251 9.3171 9.3294 11.0522 11.1003 13.2664 13.3268 k = 0.3431 0.3485-0.0000 ( 2071 PWs) bands (ev): -20.6460 -20.6459 -16.0457 -16.0456 -6.1699 -6.1640 -3.0825 -3.0798 -2.4728 -2.4605 -2.3877 -2.3875 1.2177 1.3311 1.5132 1.6606 2.0278 2.0718 2.2969 2.3698 2.7230 2.7314 2.9556 3.0274 3.3840 3.6011 4.4639 4.5935 7.3203 7.3328 9.3052 9.3171 11.0777 11.1258 13.3029 13.3610 k = 0.3333 0.3385-0.0000 ( 2075 PWs) bands (ev): -20.6478 -20.6477 -16.0424 -16.0423 -6.1605 -6.1543 -3.1044 -3.1016 -2.4663 -2.4533 -2.3833 -2.3832 1.2048 1.3183 1.4899 1.6382 2.0403 2.0779 2.2908 2.3720 2.7175 2.7291 2.9394 3.0147 3.3798 3.5952 4.4996 4.6251 7.3268 7.3399 9.2895 9.3008 11.1107 11.1585 13.3399 13.3960 k = 0.3235 0.3286-0.0000 ( 2075 PWs) bands (ev): -20.6497 -20.6495 -16.0390 -16.0389 -6.1509 -6.1445 -3.1262 -3.1234 -2.4606 -2.4471 -2.3787 -2.3785 1.1926 1.3049 1.4694 1.6166 2.0509 2.0806 2.2836 2.3749 2.7111 2.7257 2.9267 3.0057 3.3771 3.5905 4.5325 4.6541 7.3326 7.3463 9.2700 9.2806 11.1509 11.1981 13.3779 13.4321 k = 0.3137 0.3186-0.0000 ( 2081 PWs) bands (ev): -20.6516 -20.6514 -16.0354 -16.0353 -6.1413 -6.1347 -3.1478 -3.1449 -2.4560 -2.4419 -2.3737 -2.3736 1.1814 1.2913 1.4514 1.5961 2.0587 2.0791 2.2760 2.3788 2.7039 2.7212 2.9182 3.0007 3.3758 3.5870 4.5622 4.6803 7.3376 7.3518 9.2469 9.2567 11.1982 11.2447 13.4170 13.4697 k = 0.3039 0.3087-0.0000 ( 2071 PWs) bands (ev): -20.6535 -20.6534 -16.0317 -16.0316 -6.1317 -6.1250 -3.1690 -3.1660 -2.4524 -2.4379 -2.3684 -2.3683 1.1715 1.2782 1.4355 1.5766 2.0623 2.0729 2.2690 2.3842 2.6964 2.7155 2.9142 3.0000 3.3758 3.5848 4.5888 4.7037 7.3418 7.3566 9.2204 9.2293 11.2523 11.2978 13.4574 13.5088 k = 0.2941 0.2987-0.0000 ( 2073 PWs) bands (ev): -20.6555 -20.6554 -16.0278 -16.0277 -6.1223 -6.1155 -3.1896 -3.1866 -2.4501 -2.4352 -2.3629 -2.3628 1.1631 1.2661 1.4214 1.5582 2.0606 2.0618 2.2636 2.3907 2.6886 2.7088 2.9148 3.0032 3.3770 3.5836 4.6119 4.7240 7.3450 7.3603 9.1909 9.1989 11.3128 11.3571 13.4993 13.5495 k = 0.2843 0.2887-0.0000 ( 2073 PWs) bands (ev): -20.6576 -20.6575 -16.0238 -16.0238 -6.1131 -6.1061 -3.2094 -3.2065 -2.4492 -2.4339 -2.3570 -2.3569 1.1564 1.2557 1.4087 1.5409 2.0458 2.0526 2.2609 2.3983 2.6809 2.7014 2.9200 3.0103 3.3793 3.5835 4.6316 4.7411 7.3471 7.3629 9.1587 9.1658 11.3792 11.4222 13.5428 13.5919 k = 0.2745 0.2788-0.0000 ( 2073 PWs) bands (ev): -20.6597 -20.6595 -16.0198 -16.0197 -6.1041 -6.0971 -3.2284 -3.2256 -2.4498 -2.4342 -2.3509 -2.3508 1.1517 1.2475 1.3971 1.5248 2.0254 2.0379 2.2613 2.4066 2.6736 2.6939 2.9293 3.0209 3.3826 3.5844 4.6477 4.7550 7.3483 7.3645 9.1243 9.1305 11.4511 11.4928 13.5877 13.6358 k = 0.2647 0.2688-0.0000 ( 2073 PWs) bands (ev): -20.6618 -20.6617 -16.0156 -16.0155 -6.0955 -6.0885 -3.2463 -3.2436 -2.4520 -2.4361 -2.3444 -2.3444 1.1491 1.2419 1.3864 1.5099 2.0009 2.0170 2.2644 2.4150 2.6668 2.6865 2.9424 3.0347 3.3869 3.5862 4.6602 4.7656 7.3484 7.3649 9.0880 9.0934 11.5280 11.5682 13.6342 13.6812 k = 0.2549 0.2589-0.0000 ( 2079 PWs) bands (ev): -20.6639 -20.6638 -16.0114 -16.0113 -6.0873 -6.0802 -3.2630 -3.2604 -2.4559 -2.4397 -2.3378 -2.3378 1.1486 1.2390 1.3763 1.4961 1.9731 1.9909 2.2697 2.4233 2.6606 2.6795 2.9588 3.0514 3.3920 3.5889 4.6690 4.7727 7.3474 7.3642 9.0503 9.0549 11.6095 11.6483 13.6820 13.7280 k = 0.2451 0.2489-0.0000 ( 2077 PWs) bands (ev): -20.6661 -20.6659 -16.0071 -16.0070 -6.0795 -6.0725 -3.2784 -3.2760 -2.4615 -2.4451 -2.3309 -2.3309 1.1504 1.2393 1.3667 1.4835 1.9426 1.9607 2.2764 2.4311 2.6551 2.6731 2.9784 3.0707 3.3980 3.5924 4.6741 4.7765 7.3452 7.3624 9.0114 9.0154 11.6952 11.7325 13.7311 13.7760 k = 0.2353 0.2390-0.0000 ( 2075 PWs) bands (ev): -20.6682 -20.6681 -16.0028 -16.0027 -6.0723 -6.0653 -3.2923 -3.2901 -2.4689 -2.4524 -2.3238 -2.3237 1.1544 1.2428 1.3576 1.4723 1.9098 1.9275 2.2839 2.4381 2.6502 2.6674 3.0007 3.0923 3.4048 3.5967 4.6755 4.7769 7.3421 7.3595 8.9719 8.9753 11.7848 11.8205 13.7812 13.8250 k = 0.2255 0.2290-0.0000 ( 2073 PWs) bands (ev): -20.6703 -20.6702 -15.9984 -15.9984 -6.0656 -6.0586 -3.3046 -3.3026 -2.4781 -2.4615 -2.3165 -2.3164 1.1605 1.2495 1.3489 1.4625 1.8755 1.8920 2.2917 2.4442 2.6458 2.6624 3.0253 3.1159 3.4123 3.6018 4.6733 4.7739 7.3378 7.3553 8.9319 8.9348 11.8779 11.9120 13.8321 13.8746 k = 0.2157 0.2190-0.0000 ( 2071 PWs) bands (ev): -20.6725 -20.6724 -15.9941 -15.9940 -6.0594 -6.0526 -3.3152 -3.3134 -2.4891 -2.4726 -2.3090 -2.3089 1.1685 1.2594 1.3405 1.4542 1.8400 1.8550 2.2994 2.4492 2.6419 2.6581 3.0518 3.1411 3.4206 3.6076 4.6674 4.7675 7.3325 7.3502 8.8919 8.8943 11.9743 12.0067 13.8836 13.9247 k = 0.2059 0.2091-0.0000 ( 2067 PWs) bands (ev): -20.6746 -20.6745 -15.9897 -15.9897 -6.0539 -6.0472 -3.3240 -3.3225 -2.5020 -2.4854 -2.3014 -2.3013 1.1780 1.2726 1.3324 1.4477 1.8038 1.8171 2.3068 2.4531 2.6385 2.6545 3.0798 3.1677 3.4298 3.6142 4.6581 4.7579 7.3263 7.3440 8.8521 8.8541 12.0737 12.1044 13.9354 13.9748 k = 0.1961 0.1991-0.0000 ( 2061 PWs) bands (ev): -20.6766 -20.6765 -15.9854 -15.9854 -6.0490 -6.0425 -3.3309 -3.3297 -2.5166 -2.5002 -2.2937 -2.2936 1.1887 1.2889 1.3247 1.4432 1.7675 1.7786 2.3138 2.4560 2.6354 2.6514 3.1090 3.1954 3.4397 3.6216 4.6453 4.7451 7.3192 7.3368 8.8127 8.8144 12.1759 12.2048 13.9871 14.0245 k = 0.1863 0.1892-0.0000 ( 2061 PWs) bands (ev): -20.6787 -20.6786 -15.9811 -15.9811 -6.0447 -6.0384 -3.3358 -3.3349 -2.5330 -2.5167 -2.2859 -2.2858 1.1998 1.3080 1.3172 1.4412 1.7314 1.7401 2.3202 2.4578 2.6326 2.6488 3.1390 3.2238 3.4505 3.6295 4.6292 4.7292 7.3113 7.3288 8.7741 8.7756 12.2807 12.3077 14.0382 14.0734 k = 0.1765 0.1792-0.0000 ( 2065 PWs) bands (ev): -20.6807 -20.6806 -15.9769 -15.9769 -6.0411 -6.0350 -3.3387 -3.3382 -2.5510 -2.5349 -2.2781 -2.2780 1.2108 1.3098 1.3302 1.4417 1.6960 1.7018 2.3261 2.4585 2.6302 2.6467 3.1694 3.2527 3.4620 3.6381 4.6099 4.7103 7.3026 7.3200 8.7365 8.7377 12.3879 12.4130 14.0885 14.1211 k = 0.1667 0.1693-0.0000 ( 2069 PWs) bands (ev): -20.6826 -20.6825 -15.9728 -15.9728 -6.0381 -6.0322 -3.3396 -3.3395 -2.5706 -2.5547 -2.2704 -2.2702 1.2210 1.3029 1.3547 1.4452 1.6620 1.6641 2.3314 2.4583 2.6280 2.6449 3.1998 3.2817 3.4745 3.6473 4.5877 4.6886 7.2933 7.3104 8.7000 8.7011 12.4974 12.5205 14.1375 14.1671 k = 0.1569 0.1593-0.0000 ( 2063 PWs) bands (ev): -20.6845 -20.6844 -15.9688 -15.9688 -6.0356 -6.0300 -3.3387 -3.3385 -2.5916 -2.5760 -2.2627 -2.2625 1.2297 1.2963 1.3814 1.4513 1.6273 1.6301 2.3362 2.4574 2.6260 2.6434 3.2302 3.3107 3.4880 3.6573 4.5629 4.6644 7.2836 7.3003 8.6648 8.6658 12.6091 12.6301 14.1848 14.2109 k = 0.1471 0.1493-0.0000 ( 2059 PWs) bands (ev): -20.6863 -20.6862 -15.9649 -15.9649 -6.0337 -6.0284 -3.3359 -3.3352 -2.6140 -2.5987 -2.2551 -2.2548 1.2366 1.2900 1.4101 1.4589 1.5916 1.6018 2.3404 2.4556 2.6243 2.6422 3.2600 3.3394 3.5024 3.6677 4.5355 4.6378 7.2735 7.2898 8.6312 8.6320 12.7229 12.7416 14.2300 14.2521 k = 0.1373 0.1394-0.0000 ( 2059 PWs) bands (ev): -20.6880 -20.6879 -15.9612 -15.9612 -6.0323 -6.0272 -3.3311 -3.3300 -2.6376 -2.6227 -2.2476 -2.2474 1.2415 1.2839 1.4401 1.4649 1.5575 1.5802 2.3440 2.4530 2.6228 2.6412 3.2891 3.3674 3.5178 3.6787 4.5060 4.6091 7.2631 7.2789 8.5992 8.6000 12.8387 12.8550 14.2727 14.2903 k = 0.1275 0.1294-0.0000 ( 2059 PWs) bands (ev): -20.6896 -20.6895 -15.9576 -15.9576 -6.0313 -6.0266 -3.3244 -3.3228 -2.6622 -2.6477 -2.2404 -2.2402 1.2445 1.2782 1.4640 1.4705 1.5256 1.5703 2.3470 2.4497 2.6216 2.6402 3.3172 3.3946 3.5342 3.6902 4.4747 4.5785 7.2526 7.2678 8.5690 8.5697 12.9564 12.9701 14.3128 14.3251 k = 0.1176 0.1195-0.0000 ( 2065 PWs) bands (ev): -20.6912 -20.6911 -15.9542 -15.9542 -6.0308 -6.0264 -3.3157 -3.3138 -2.6878 -2.6737 -2.2334 -2.2332 1.2460 1.2728 1.4528 1.4864 1.5107 1.5749 2.3495 2.4458 2.6205 2.6393 3.3441 3.4205 3.5515 3.7020 4.4419 4.5463 7.2422 7.2566 8.5406 8.5413 13.0759 13.0869 14.3499 14.3564 k = 0.1078 0.1095-0.0000 ( 2065 PWs) bands (ev): -20.6926 -20.6925 -15.9510 -15.9510 -6.0306 -6.0265 -3.3053 -3.3029 -2.7141 -2.7005 -2.2268 -2.2265 1.2464 1.2678 1.4346 1.4614 1.5389 1.5902 2.3516 2.4413 2.6197 2.6384 3.3699 3.4451 3.5696 3.7142 4.4082 4.5130 7.2320 7.2456 8.5143 8.5149 13.1971 13.2050 14.3839 14.3840 k = 0.0980 0.0996-0.0000 ( 2059 PWs) bands (ev): -20.6940 -20.6939 -15.9481 -15.9481 -6.0306 -6.0269 -3.2931 -3.2902 -2.7409 -2.7278 -2.2205 -2.2203 1.2459 1.2631 1.4140 1.4347 1.5709 1.6111 2.3534 2.4363 2.6191 2.6376 3.3946 3.4681 3.5885 3.7266 4.3741 4.4788 7.2221 7.2348 8.4900 8.4907 13.3200 13.3244 14.4077 14.4152 k = 0.0882 0.0896-0.0000 ( 2059 PWs) bands (ev): -20.6952 -20.6951 -15.9453 -15.9453 -6.0309 -6.0276 -3.2793 -3.2761 -2.7681 -2.7556 -2.2146 -2.2144 1.2448 1.2587 1.3932 1.4097 1.6026 1.6344 2.3548 2.4307 2.6187 2.6366 3.4180 3.4892 3.6077 3.7389 4.3403 4.4441 7.2126 7.2244 8.4679 8.4685 13.4444 13.4448 14.4276 14.4434 k = 0.0784 0.0797-0.0000 ( 2059 PWs) bands (ev): -20.6963 -20.6963 -15.9428 -15.9428 -6.0313 -6.0283 -3.2642 -3.2606 -2.7953 -2.7834 -2.2092 -2.2090 1.2434 1.2547 1.3736 1.3869 1.6332 1.6585 2.3560 2.4247 2.6185 2.6356 3.4402 3.5082 3.6272 3.7509 4.3073 4.4093 7.2039 7.2146 8.4480 8.4486 13.5658 13.5701 14.4437 14.4690 k = 0.0686 0.0697-0.0000 ( 2057 PWs) bands (ev): -20.6973 -20.6973 -15.9406 -15.9406 -6.0319 -6.0292 -3.2479 -3.2439 -2.8223 -2.8111 -2.2043 -2.2041 1.2418 1.2511 1.3558 1.3665 1.6621 1.6821 2.3571 2.4184 2.6186 2.6345 3.4613 3.5249 3.6468 3.7620 4.2761 4.3749 7.1958 7.2054 8.4304 8.4309 13.6868 13.6969 14.4561 14.4923 k = 0.0588 0.0597-0.0000 ( 2057 PWs) bands (ev): -20.6982 -20.6981 -15.9386 -15.9386 -6.0324 -6.0302 -3.2307 -3.2265 -2.8488 -2.8383 -2.2000 -2.1998 1.2402 1.2478 1.3400 1.3486 1.6888 1.7044 2.3582 2.4118 2.6189 2.6333 3.4811 3.5390 3.6662 3.7719 4.2477 4.3414 7.1887 7.1971 8.4150 8.4155 13.8071 13.8244 14.4648 14.5138 k = 0.0490 0.0498-0.0000 ( 2057 PWs) bands (ev): -20.6989 -20.6989 -15.9370 -15.9369 -6.0330 -6.0311 -3.2131 -3.2087 -2.8742 -2.8646 -2.1962 -2.1961 1.2387 1.2448 1.3266 1.3332 1.7126 1.7245 2.3596 2.4050 2.6194 2.6320 3.4996 3.5505 3.6853 3.7797 4.2232 4.3093 7.1826 7.1896 8.4020 8.4024 13.9254 13.9518 14.4698 14.5339 k = 0.0392 0.0398-0.0000 ( 2065 PWs) bands (ev): -20.6995 -20.6995 -15.9356 -15.9356 -6.0334 -6.0319 -3.1955 -3.1912 -2.8978 -2.8893 -2.1931 -2.1930 1.2374 1.2422 1.3155 1.3205 1.7331 1.7418 2.3612 2.3982 2.6201 2.6306 3.5164 3.5589 3.7039 3.7847 4.2038 4.2791 7.1775 7.1833 8.3913 8.3916 14.0395 14.0780 14.4711 14.5533 k = 0.0294 0.0299-0.0000 ( 2057 PWs) bands (ev): -20.7000 -20.7000 -15.9345 -15.9345 -6.0338 -6.0327 -3.1790 -3.1750 -2.9188 -2.9116 -2.1906 -2.1906 1.2364 1.2399 1.3070 1.3106 1.7498 1.7559 2.3635 2.3916 2.6211 2.6291 3.5314 3.5645 3.7218 3.7863 4.1906 4.2516 7.1737 7.1780 8.3830 8.3833 14.1462 14.2005 14.4690 14.5718 k = 0.0196 0.0199-0.0000 ( 2053 PWs) bands (ev): -20.7003 -20.7003 -15.9337 -15.9337 -6.0340 -6.0333 -3.1647 -3.1615 -2.9355 -2.9302 -2.1889 -2.1888 1.2357 1.2381 1.3011 1.3034 1.7623 1.7661 2.3664 2.3854 2.6222 2.6277 3.5442 3.5668 3.7387 3.7839 4.1844 4.2276 7.1711 7.1740 8.3771 8.3773 14.2404 14.3112 14.4667 14.5865 k = 0.0098 0.0100-0.0000 ( 2053 PWs) bands (ev): -20.7006 -20.7005 -15.9332 -15.9332 -6.0341 -6.0337 -3.1543 -3.1525 -2.9461 -2.9433 -2.1878 -2.1877 1.2356 1.2368 1.2977 1.2989 1.7702 1.7720 2.3701 2.3796 2.6234 2.6262 3.5543 3.5658 3.7540 3.7773 4.1855 4.2080 7.1699 7.1713 8.3736 8.3736 14.3156 14.3768 14.4886 14.5851 k = 0.0000 0.0000 0.0000 ( 2053 PWs) bands (ev): -20.7006 -20.7006 -15.9331 -15.9331 -6.0340 -6.0340 -3.1500 -3.1500 -2.9489 -2.9489 -2.1874 -2.1874 1.2359 1.2359 1.2970 1.2970 1.7735 1.7735 2.3744 2.3744 2.6248 2.6248 3.5616 3.5616 3.7671 3.7671 4.1936 4.1936 7.1699 7.1699 8.3724 8.3724 14.3657 14.3657 14.5483 14.5483 k = 0.0000 0.0000 0.0000 ( 2053 PWs) bands (ev): -20.7006 -20.7006 -15.9331 -15.9331 -6.0340 -6.0340 -3.1500 -3.1500 -2.9489 -2.9489 -2.1874 -2.1874 1.2359 1.2359 1.2970 1.2970 1.7735 1.7735 2.3744 2.3744 2.6248 2.6248 3.5616 3.5616 3.7671 3.7671 4.1936 4.1936 7.1699 7.1699 8.3724 8.3724 14.3657 14.3657 14.5483 14.5483 k = 0.0082-0.0081 0.0078 ( 2053 PWs) bands (ev): -20.7005 -20.7005 -15.9332 -15.9332 -6.0345 -6.0345 -3.1496 -3.1496 -2.9496 -2.9496 -2.1877 -2.1877 1.2387 1.2387 1.2975 1.2975 1.7740 1.7740 2.3747 2.3747 2.6252 2.6252 3.5613 3.5613 3.7663 3.7663 4.1929 4.1929 7.1694 7.1694 8.3709 8.3709 14.3598 14.3598 14.5392 14.5392 k = 0.0164-0.0161 0.0157 ( 2053 PWs) bands (ev): -20.7003 -20.7003 -15.9335 -15.9335 -6.0361 -6.0361 -3.1486 -3.1486 -2.9514 -2.9514 -2.1885 -2.1885 1.2470 1.2470 1.2992 1.2992 1.7758 1.7758 2.3755 2.3755 2.6266 2.6266 3.5604 3.5604 3.7638 3.7638 4.1909 4.1909 7.1679 7.1679 8.3666 8.3666 14.3403 14.3403 14.5175 14.5175 k = 0.0246-0.0242 0.0235 ( 2051 PWs) bands (ev): -20.7000 -20.7000 -15.9340 -15.9340 -6.0387 -6.0387 -3.1469 -3.1469 -2.9545 -2.9545 -2.1899 -2.1899 1.2602 1.2602 1.3025 1.3025 1.7787 1.7787 2.3769 2.3769 2.6289 2.6289 3.5589 3.5589 3.7597 3.7597 4.1876 4.1876 7.1655 7.1655 8.3593 8.3593 14.3037 14.3037 14.4946 14.4946 k = 0.0328-0.0323 0.0313 ( 2051 PWs) bands (ev): -20.6995 -20.6995 -15.9347 -15.9347 -6.0423 -6.0423 -3.1446 -3.1446 -2.9586 -2.9586 -2.1919 -2.1919 1.2767 1.2767 1.3089 1.3089 1.7827 1.7827 2.3788 2.3788 2.6321 2.6321 3.5568 3.5568 3.7540 3.7540 4.1828 4.1828 7.1621 7.1621 8.3492 8.3492 14.2500 14.2500 14.4771 14.4771 k = 0.0410-0.0403 0.0392 ( 2061 PWs) bands (ev): -20.6989 -20.6989 -15.9356 -15.9356 -6.0469 -6.0469 -3.1417 -3.1417 -2.9637 -2.9637 -2.1944 -2.1944 1.2913 1.2913 1.3232 1.3232 1.7879 1.7879 2.3812 2.3812 2.6361 2.6361 3.5539 3.5539 3.7466 3.7466 4.1768 4.1768 7.1577 7.1577 8.3365 8.3365 14.1832 14.1832 14.4646 14.4646 k = 0.0492-0.0484 0.0470 ( 2063 PWs) bands (ev): -20.6981 -20.6981 -15.9367 -15.9367 -6.0524 -6.0524 -3.1381 -3.1381 -2.9697 -2.9697 -2.1973 -2.1973 1.3005 1.3005 1.3488 1.3488 1.7944 1.7944 2.3841 2.3841 2.6411 2.6411 3.5503 3.5503 3.7380 3.7380 4.1693 4.1693 7.1525 7.1525 8.3211 8.3211 14.1082 14.1082 14.4549 14.4549 k = 0.0574-0.0565 0.0548 ( 2063 PWs) bands (ev): -20.6973 -20.6973 -15.9380 -15.9380 -6.0589 -6.0589 -3.1339 -3.1339 -2.9765 -2.9765 -2.2008 -2.2008 1.3071 1.3071 1.3824 1.3824 1.8020 1.8020 2.3876 2.3876 2.6468 2.6468 3.5461 3.5461 3.7281 3.7281 4.1605 4.1605 7.1465 7.1465 8.3034 8.3034 14.0282 14.0282 14.4457 14.4457 k = 0.0656-0.0646 0.0627 ( 2071 PWs) bands (ev): -20.6963 -20.6963 -15.9395 -15.9395 -6.0662 -6.0662 -3.1291 -3.1291 -2.9838 -2.9838 -2.2048 -2.2048 1.3132 1.3132 1.4213 1.4213 1.8109 1.8109 2.3918 2.3918 2.6534 2.6534 3.5409 3.5409 3.7170 3.7170 4.1503 4.1503 7.1397 7.1397 8.2833 8.2833 13.9453 13.9453 14.4355 14.4355 k = 0.0738-0.0726 0.0705 ( 2057 PWs) bands (ev): -20.6951 -20.6951 -15.9411 -15.9411 -6.0743 -6.0743 -3.1238 -3.1238 -2.9914 -2.9914 -2.2092 -2.2092 1.3197 1.3197 1.4646 1.4646 1.8211 1.8211 2.3966 2.3966 2.6609 2.6609 3.5350 3.5350 3.7050 3.7050 4.1388 4.1388 7.1323 7.1323 8.2614 8.2614 13.8609 13.8609 14.4233 14.4233 k = 0.0820-0.0807 0.0783 ( 2057 PWs) bands (ev): -20.6939 -20.6939 -15.9429 -15.9429 -6.0831 -6.0831 -3.1179 -3.1179 -2.9993 -2.9993 -2.2140 -2.2140 1.3265 1.3265 1.5112 1.5112 1.8326 1.8326 2.4021 2.4021 2.6690 2.6690 3.5280 3.5280 3.6921 3.6921 4.1258 4.1258 7.1243 7.1243 8.2375 8.2375 13.7758 13.7758 14.4081 14.4081 k = 0.0901-0.0888 0.0862 ( 2057 PWs) bands (ev): -20.6926 -20.6926 -15.9449 -15.9449 -6.0927 -6.0927 -3.1116 -3.1116 -3.0072 -3.0072 -2.2192 -2.2192 1.3339 1.3339 1.5603 1.5603 1.8455 1.8455 2.4085 2.4085 2.6779 2.6779 3.5199 3.5199 3.6787 3.6788 4.1113 4.1113 7.1158 7.1158 8.2122 8.2122 13.6908 13.6908 14.3891 14.3891 k = 0.0983-0.0968 0.0940 ( 2057 PWs) bands (ev): -20.6911 -20.6911 -15.9471 -15.9471 -6.1028 -6.1028 -3.1048 -3.1048 -3.0150 -3.0150 -2.2248 -2.2248 1.3418 1.3418 1.6112 1.6112 1.8600 1.8600 2.4159 2.4159 2.6875 2.6875 3.5106 3.5106 3.6651 3.6651 4.0954 4.0954 7.1069 7.1069 8.1857 8.1857 13.6062 13.6062 14.3657 14.3657 k = 0.1065-0.1049 0.1018 ( 2061 PWs) bands (ev): -20.6896 -20.6896 -15.9494 -15.9494 -6.1135 -6.1135 -3.0976 -3.0976 -3.0225 -3.0225 -2.2306 -2.2306 1.3503 1.3503 1.6628 1.6628 1.8764 1.8764 2.4244 2.4244 2.6976 2.6976 3.4999 3.4999 3.6513 3.6513 4.0779 4.0779 7.0977 7.0977 8.1583 8.1583 13.5225 13.5225 14.3372 14.3372 k = 0.1147-0.1130 0.1096 ( 2065 PWs) bands (ev): -20.6880 -20.6880 -15.9519 -15.9519 -6.1246 -6.1246 -3.0901 -3.0901 -3.0296 -3.0296 -2.2368 -2.2368 1.3593 1.3593 1.7139 1.7139 1.8949 1.8949 2.4343 2.4343 2.7083 2.7083 3.4877 3.4877 3.6377 3.6377 4.0590 4.0590 7.0883 7.0883 8.1304 8.1304 13.4399 13.4399 14.3031 14.3031 k = 0.1229-0.1210 0.1175 ( 2069 PWs) bands (ev): -20.6863 -20.6863 -15.9545 -15.9545 -6.1361 -6.1361 -3.0822 -3.0822 -3.0361 -3.0361 -2.2431 -2.2431 1.3689 1.3689 1.7630 1.7630 1.9162 1.9162 2.4459 2.4459 2.7195 2.7195 3.4740 3.4740 3.6246 3.6246 4.0385 4.0385 7.0788 7.0788 8.1023 8.1023 13.3588 13.3588 14.2633 14.2633 k = 0.1311-0.1291 0.1253 ( 2073 PWs) bands (ev): -20.6846 -20.6846 -15.9573 -15.9573 -6.1478 -6.1478 -3.0741 -3.0741 -3.0418 -3.0418 -2.2497 -2.2497 1.3790 1.3790 1.8085 1.8085 1.9409 1.9409 2.4595 2.4595 2.7312 2.7312 3.4589 3.4589 3.6120 3.6120 4.0165 4.0165 7.0693 7.0693 8.0746 8.0746 13.2793 13.2793 14.2175 14.2175 k = 0.1393-0.1372 0.1331 ( 2063 PWs) bands (ev): -20.6828 -20.6828 -15.9601 -15.9601 -6.1597 -6.1597 -3.0659 -3.0659 -3.0466 -3.0466 -2.2565 -2.2565 1.3897 1.3897 1.8488 1.8488 1.9697 1.9697 2.4755 2.4755 2.7436 2.7436 3.4425 3.4425 3.6001 3.6001 3.9931 3.9931 7.0600 7.0600 8.0475 8.0475 13.2017 13.2017 14.1658 14.1658 k = 0.1475-0.1453 0.1410 ( 2079 PWs) bands (ev): -20.6809 -20.6809 -15.9631 -15.9631 -6.1718 -6.1718 -3.0580 -3.0580 -3.0500 -3.0500 -2.2634 -2.2634 1.4008 1.4008 1.8832 1.8832 2.0018 2.0018 2.4939 2.4939 2.7562 2.7562 3.4249 3.4249 3.5887 3.5887 3.9680 3.9680 7.0509 7.0509 8.0216 8.0216 13.1260 13.1260 14.1083 14.1083 k = 0.1557-0.1533 0.1488 ( 2077 PWs) bands (ev): -20.6790 -20.6790 -15.9662 -15.9662 -6.1838 -6.1838 -3.0555 -3.0555 -3.0468 -3.0468 -2.2704 -2.2704 1.4124 1.4124 1.9129 1.9129 2.0355 2.0355 2.5151 2.5151 2.7695 2.7695 3.4064 3.4064 3.5781 3.5781 3.9415 3.9415 7.0421 7.0421 7.9973 7.9973 13.0525 13.0525 14.0455 14.0455 k = 0.1639-0.1614 0.1566 ( 2077 PWs) bands (ev): -20.6770 -20.6770 -15.9694 -15.9694 -6.1957 -6.1957 -3.0569 -3.0569 -3.0386 -3.0386 -2.2774 -2.2774 1.4245 1.4245 1.9390 1.9390 2.0685 2.0685 2.5389 2.5389 2.7836 2.7836 3.3873 3.3873 3.5680 3.5680 3.9136 3.9136 7.0339 7.0339 7.9751 7.9751 12.9811 12.9811 13.9776 13.9776 k = 0.1721-0.1695 0.1645 ( 2077 PWs) bands (ev): -20.6751 -20.6751 -15.9727 -15.9727 -6.2075 -6.2075 -3.0577 -3.0577 -3.0298 -3.0298 -2.2845 -2.2845 1.4369 1.4369 1.9628 1.9629 2.0991 2.0992 2.5647 2.5647 2.7987 2.7987 3.3679 3.3679 3.5583 3.5583 3.8845 3.8845 7.0262 7.0262 7.9554 7.9554 12.9121 12.9121 13.9051 13.9051 k = 0.1803-0.1775 0.1723 ( 2079 PWs) bands (ev): -20.6731 -20.6731 -15.9760 -15.9760 -6.2189 -6.2189 -3.0574 -3.0574 -3.0208 -3.0208 -2.2915 -2.2915 1.4498 1.4498 1.9852 1.9852 2.1263 2.1263 2.5915 2.5915 2.8150 2.8150 3.3485 3.3485 3.5489 3.5489 3.8544 3.8544 7.0191 7.0191 7.9387 7.9387 12.8455 12.8455 13.8286 13.8286 k = 0.1885-0.1856 0.1801 ( 2073 PWs) bands (ev): -20.6711 -20.6711 -15.9794 -15.9794 -6.2301 -6.2301 -3.0560 -3.0560 -3.0119 -3.0119 -2.2986 -2.2986 1.4631 1.4631 2.0066 2.0066 2.1498 2.1498 2.6180 2.6180 2.8330 2.8330 3.3293 3.3294 3.5399 3.5399 3.8236 3.8236 7.0129 7.0129 7.9254 7.9254 12.7815 12.7815 13.7485 13.7485 k = 0.1967-0.1937 0.1880 ( 2073 PWs) bands (ev): -20.6691 -20.6691 -15.9829 -15.9829 -6.2408 -6.2408 -3.0534 -3.0534 -3.0029 -3.0029 -2.3055 -2.3055 1.4767 1.4767 2.0269 2.0269 2.1696 2.1696 2.6427 2.6427 2.8526 2.8526 3.3107 3.3107 3.5310 3.5310 3.7926 3.7926 7.0074 7.0074 7.9160 7.9160 12.7200 12.7200 13.6654 13.6654 k = 0.2049-0.2017 0.1958 ( 2069 PWs) bands (ev): -20.6671 -20.6671 -15.9864 -15.9864 -6.2510 -6.2510 -3.0496 -3.0496 -2.9941 -2.9941 -2.3124 -2.3124 1.4906 1.4906 2.0462 2.0462 2.1862 2.1862 2.6643 2.6643 2.8737 2.8737 3.2929 3.2929 3.5222 3.5222 3.7619 3.7619 7.0029 7.0029 7.9108 7.9108 12.6612 12.6612 13.5797 13.5797 k = 0.2131-0.2098 0.2036 ( 2071 PWs) bands (ev): -20.6652 -20.6652 -15.9900 -15.9900 -6.2607 -6.2607 -3.0447 -3.0447 -2.9854 -2.9854 -2.3191 -2.3191 1.5048 1.5048 2.0644 2.0644 2.2001 2.2001 2.6819 2.6819 2.8956 2.8956 3.2759 3.2759 3.5135 3.5135 3.7322 3.7322 6.9994 6.9994 7.9102 7.9102 12.6050 12.6050 13.4918 13.4918 k = 0.2213-0.2179 0.2115 ( 2075 PWs) bands (ev): -20.6632 -20.6632 -15.9935 -15.9935 -6.2697 -6.2697 -3.0385 -3.0385 -2.9768 -2.9768 -2.3257 -2.3257 1.5192 1.5192 2.0812 2.0812 2.2118 2.2118 2.6953 2.6953 2.9169 2.9169 3.2599 3.2599 3.5047 3.5047 3.7047 3.7047 6.9968 6.9968 7.9144 7.9144 12.5517 12.5517 13.4021 13.4021 k = 0.2295-0.2260 0.2193 ( 2077 PWs) bands (ev): -20.6613 -20.6613 -15.9971 -15.9971 -6.2781 -6.2781 -3.0312 -3.0312 -2.9685 -2.9684 -2.3321 -2.3321 1.5338 1.5338 2.0964 2.0964 2.2216 2.2216 2.7044 2.7044 2.9364 2.9364 3.2449 3.2449 3.4960 3.4960 3.6805 3.6805 6.9954 6.9954 7.9236 7.9236 12.5012 12.5012 13.3111 13.3111 k = 0.2377-0.2340 0.2271 ( 2077 PWs) bands (ev): -20.6594 -20.6594 -16.0007 -16.0007 -6.2858 -6.2858 -3.0228 -3.0228 -2.9603 -2.9603 -2.3383 -2.3383 1.5486 1.5486 2.1098 2.1098 2.2300 2.2300 2.7095 2.7095 2.9524 2.9524 3.2310 3.2310 3.4873 3.4873 3.6606 3.6606 6.9951 6.9951 7.9380 7.9380 12.4536 12.4536 13.2190 13.2190 k = 0.2459-0.2421 0.2350 ( 2073 PWs) bands (ev): -20.6576 -20.6576 -16.0043 -16.0043 -6.2927 -6.2927 -3.0132 -3.0132 -2.9524 -2.9524 -2.3443 -2.3443 1.5635 1.5635 2.1211 2.1211 2.2372 2.2372 2.7106 2.7106 2.9634 2.9634 3.2182 3.2182 3.4787 3.4787 3.6460 3.6460 6.9959 6.9959 7.9576 7.9576 12.4089 12.4089 13.1262 13.1262 k = 0.2541-0.2502 0.2428 ( 2077 PWs) bands (ev): -20.6558 -20.6558 -16.0079 -16.0079 -6.2988 -6.2988 -3.0026 -3.0026 -2.9447 -2.9447 -2.3501 -2.3501 1.5785 1.5785 2.1302 2.1302 2.2433 2.2433 2.7075 2.7075 2.9686 2.9686 3.2072 3.2072 3.4706 3.4706 3.6372 3.6372 6.9978 6.9978 7.9825 7.9825 12.3672 12.3672 13.0329 13.0329 k = 0.2623-0.2582 0.2506 ( 2077 PWs) bands (ev): -20.6540 -20.6540 -16.0115 -16.0115 -6.3041 -6.3041 -2.9909 -2.9909 -2.9374 -2.9374 -2.3557 -2.3557 1.5935 1.5935 2.1368 2.1368 2.2485 2.2485 2.6997 2.6997 2.9673 2.9673 3.1988 3.1988 3.4630 3.4630 3.6341 3.6341 7.0008 7.0008 8.0125 8.0125 12.3286 12.3286 12.9396 12.9396 k = 0.2704-0.2663 0.2585 ( 2073 PWs) bands (ev): -20.6523 -20.6523 -16.0150 -16.0150 -6.3086 -6.3086 -2.9783 -2.9783 -2.9303 -2.9303 -2.3610 -2.3610 1.6085 1.6085 2.1409 2.1409 2.2529 2.2529 2.6865 2.6865 2.9602 2.9602 3.1940 3.1940 3.4563 3.4563 3.6362 3.6362 7.0049 7.0049 8.0474 8.0474 12.2932 12.2932 12.8463 12.8463 k = 0.2786-0.2744 0.2663 ( 2073 PWs) bands (ev): -20.6507 -20.6507 -16.0185 -16.0185 -6.3123 -6.3123 -2.9647 -2.9647 -2.9235 -2.9235 -2.3661 -2.3661 1.6235 1.6235 2.1424 2.1425 2.2563 2.2563 2.6671 2.6671 2.9485 2.9485 3.1932 3.1932 3.4502 3.4502 3.6428 3.6428 7.0100 7.0100 8.0871 8.0871 12.2609 12.2609 12.7535 12.7535 k = 0.2868-0.2824 0.2741 ( 2077 PWs) bands (ev): -20.6491 -20.6491 -16.0219 -16.0219 -6.3152 -6.3152 -2.9503 -2.9503 -2.9171 -2.9171 -2.3709 -2.3709 1.6384 1.6384 2.1414 2.1414 2.2589 2.2589 2.6408 2.6408 2.9342 2.9342 3.1965 3.1965 3.4451 3.4451 3.6526 3.6526 7.0161 7.0161 8.1312 8.1312 12.2319 12.2319 12.6612 12.6612 k = 0.2950-0.2905 0.2820 ( 2075 PWs) bands (ev): -20.6476 -20.6476 -16.0253 -16.0253 -6.3172 -6.3172 -2.9350 -2.9350 -2.9110 -2.9110 -2.3754 -2.3754 1.6532 1.6532 2.1379 2.1379 2.2607 2.2607 2.6075 2.6075 2.9194 2.9194 3.2032 3.2032 3.4408 3.4408 3.6648 3.6648 7.0232 7.0232 8.1793 8.1793 12.2061 12.2061 12.5700 12.5700 k = 0.3032-0.2986 0.2898 ( 2083 PWs) bands (ev): -20.6462 -20.6462 -16.0286 -16.0286 -6.3185 -6.3185 -2.9190 -2.9190 -2.9052 -2.9052 -2.3797 -2.3797 1.6679 1.6679 2.1317 2.1317 2.2617 2.2617 2.5674 2.5674 2.9051 2.9051 3.2128 3.2128 3.4377 3.4377 3.6786 3.6786 7.0312 7.0312 8.2310 8.2310 12.1836 12.1836 12.4799 12.4799 k = 0.3114-0.3067 0.2976 ( 2083 PWs) bands (ev): -20.6448 -20.6448 -16.0318 -16.0318 -6.3190 -6.3190 -2.9026 -2.9026 -2.8996 -2.8996 -2.3837 -2.3837 1.6822 1.6822 2.1231 2.1231 2.2618 2.2618 2.5220 2.5220 2.8920 2.8920 3.2245 3.2245 3.4361 3.4361 3.6931 3.6931 7.0399 7.0399 8.2858 8.2858 12.1642 12.1642 12.3917 12.3917 k = 0.3196-0.3147 0.3054 ( 2091 PWs) bands (ev): -20.6436 -20.6436 -16.0350 -16.0350 -6.3188 -6.3188 -2.8948 -2.8948 -2.8849 -2.8849 -2.3875 -2.3875 1.6963 1.6963 2.1116 2.1116 2.2608 2.2608 2.4729 2.4729 2.8802 2.8802 3.2372 3.2372 3.4363 3.4363 3.7079 3.7079 7.0493 7.0493 8.3433 8.3433 12.1472 12.1472 12.3062 12.3062 k = 0.3278-0.3228 0.3133 ( 2091 PWs) bands (ev): -20.6423 -20.6423 -16.0380 -16.0380 -6.3180 -6.3180 -2.8900 -2.8900 -2.8671 -2.8671 -2.3910 -2.3910 1.7101 1.7101 2.0972 2.0972 2.2584 2.2584 2.4224 2.4224 2.8694 2.8694 3.2500 3.2501 3.4391 3.4391 3.7227 3.7227 7.0593 7.0593 8.4029 8.4029 12.1296 12.1296 12.2268 12.2268 k = 0.3360-0.3309 0.3211 ( 2103 PWs) bands (ev): -20.6412 -20.6412 -16.0410 -16.0410 -6.3165 -6.3165 -2.8856 -2.8856 -2.8489 -2.8489 -2.3942 -2.3942 1.7234 1.7234 2.0793 2.0793 2.2532 2.2532 2.3737 2.3737 2.8593 2.8593 3.2618 3.2618 3.4450 3.4450 3.7372 3.7372 7.0697 7.0697 8.4640 8.4640 12.0967 12.0967 12.1686 12.1686 k = 0.3442-0.3389 0.3289 ( 2106 PWs) bands (ev): -20.6401 -20.6401 -16.0439 -16.0439 -6.3144 -6.3144 -2.8815 -2.8815 -2.8303 -2.8303 -2.3972 -2.3972 1.7364 1.7364 2.0570 2.0570 2.2421 2.2421 2.3322 2.3322 2.8498 2.8498 3.2716 3.2716 3.4545 3.4545 3.7513 3.7513 7.0806 7.0806 8.5260 8.5260 12.0321 12.0321 12.1483 12.1483 k = 0.3524-0.3470 0.3368 ( 2106 PWs) bands (ev): -20.6391 -20.6391 -16.0466 -16.0466 -6.3118 -6.3118 -2.8777 -2.8777 -2.8115 -2.8115 -2.4000 -2.4000 1.7487 1.7488 2.0293 2.0293 2.2205 2.2206 2.3049 2.3049 2.8408 2.8408 3.2790 3.2790 3.4678 3.4678 3.7649 3.7649 7.0918 7.0918 8.5885 8.5885 11.9570 11.9570 12.1450 12.1450 k = 0.3606-0.3551 0.3446 ( 2106 PWs) bands (ev): -20.6381 -20.6381 -16.0493 -16.0493 -6.3088 -6.3088 -2.8743 -2.8743 -2.7925 -2.7925 -2.4025 -2.4025 1.7605 1.7605 1.9952 1.9952 2.1908 2.1908 2.2915 2.2915 2.8320 2.8320 3.2838 3.2838 3.4845 3.4845 3.7780 3.7780 7.1032 7.1032 8.6508 8.6508 11.8815 11.8815 12.1490 12.1490 k = 0.3688-0.3631 0.3524 ( 2104 PWs) bands (ev): -20.6373 -20.6373 -16.0518 -16.0518 -6.3054 -6.3054 -2.8711 -2.8711 -2.7735 -2.7735 -2.4047 -2.4047 1.7713 1.7713 1.9546 1.9546 2.1607 2.1607 2.2853 2.2853 2.8235 2.8235 3.2863 3.2863 3.5038 3.5038 3.7906 3.7906 7.1146 7.1146 8.7124 8.7124 11.8077 11.8077 12.1584 12.1584 k = 0.3770-0.3712 0.3603 ( 2104 PWs) bands (ev): -20.6365 -20.6365 -16.0542 -16.0542 -6.3017 -6.3017 -2.8682 -2.8682 -2.7546 -2.7546 -2.4068 -2.4068 1.7806 1.7806 1.9092 1.9092 2.1342 2.1342 2.2820 2.2820 2.8151 2.8151 3.2870 3.2870 3.5250 3.5250 3.8028 3.8028 7.1260 7.1260 8.7727 8.7727 11.7365 11.7365 12.1728 12.1728 k = 0.3852-0.3793 0.3681 ( 2102 PWs) bands (ev): -20.6357 -20.6357 -16.0565 -16.0565 -6.2978 -6.2978 -2.8655 -2.8655 -2.7359 -2.7359 -2.4087 -2.4087 1.7865 1.7865 1.8629 1.8629 2.1116 2.1116 2.2801 2.2801 2.8071 2.8072 3.2863 3.2863 3.5471 3.5471 3.8147 3.8147 7.1373 7.1373 8.8313 8.8313 11.6683 11.6683 12.1920 12.1920 k = 0.3934-0.3873 0.3759 ( 2094 PWs) bands (ev): -20.6350 -20.6350 -16.0586 -16.0586 -6.2937 -6.2937 -2.8631 -2.8631 -2.7176 -2.7176 -2.4103 -2.4103 1.7775 1.7775 1.8291 1.8291 2.0924 2.0925 2.2789 2.2789 2.7994 2.7994 3.2847 3.2848 3.5693 3.5693 3.8265 3.8265 7.1483 7.1483 8.8876 8.8876 11.6034 11.6034 12.2161 12.2161 k = 0.4016-0.3954 0.3838 ( 2090 PWs) bands (ev): -20.6344 -20.6344 -16.0606 -16.0606 -6.2896 -6.2896 -2.8610 -2.8610 -2.6998 -2.6998 -2.4118 -2.4118 1.7393 1.7393 1.8238 1.8238 2.0759 2.0759 2.2781 2.2781 2.7919 2.7919 3.2826 3.2826 3.5909 3.5909 3.8381 3.8381 7.1589 7.1589 8.9412 8.9412 11.5422 11.5422 12.2448 12.2448 k = 0.4098-0.4035 0.3916 ( 2090 PWs) bands (ev): -20.6339 -20.6339 -16.0624 -16.0624 -6.2854 -6.2854 -2.8591 -2.8591 -2.6827 -2.6827 -2.4131 -2.4131 1.6916 1.6916 1.8283 1.8283 2.0615 2.0615 2.2775 2.2775 2.7847 2.7847 3.2800 3.2800 3.6115 3.6115 3.8496 3.8496 7.1691 7.1691 8.9918 8.9918 11.4847 11.4847 12.2782 12.2782 k = 0.4180-0.4116 0.3994 ( 2096 PWs) bands (ev): -20.6334 -20.6334 -16.0641 -16.0641 -6.2814 -6.2814 -2.8574 -2.8574 -2.6663 -2.6663 -2.4143 -2.4143 1.6438 1.6438 1.8342 1.8342 2.0488 2.0488 2.2770 2.2770 2.7780 2.7780 3.2773 3.2773 3.6304 3.6304 3.8610 3.8610 7.1787 7.1787 9.0389 9.0389 11.4314 11.4314 12.3162 12.3162 k = 0.4262-0.4196 0.4073 ( 2096 PWs) bands (ev): -20.6329 -20.6329 -16.0656 -16.0656 -6.2774 -6.2774 -2.8559 -2.8559 -2.6509 -2.6509 -2.4153 -2.4153 1.5982 1.5982 1.8400 1.8400 2.0378 2.0378 2.2767 2.2767 2.7717 2.7717 3.2745 3.2745 3.6475 3.6475 3.8724 3.8724 7.1876 7.1876 9.0822 9.0822 11.3823 11.3823 12.3584 12.3584 k = 0.4262-0.4196 0.4073 ( 2096 PWs) bands (ev): -20.6329 -20.6329 -16.0656 -16.0656 -6.2774 -6.2774 -2.8559 -2.8559 -2.6509 -2.6509 -2.4153 -2.4153 1.5982 1.5982 1.8400 1.8400 2.0378 2.0378 2.2767 2.2767 2.7717 2.7717 3.2745 3.2745 3.6475 3.6475 3.8724 3.8724 7.1876 7.1876 9.0822 9.0822 11.3823 11.3823 12.3584 12.3584 k = 0.4283-0.4071 0.4023 ( 2094 PWs) bands (ev): -20.6332 -20.6332 -16.0646 -16.0646 -6.2798 -6.2795 -2.8579 -2.8578 -2.6601 -2.6594 -2.4146 -2.4146 1.6232 1.6296 1.8368 1.8369 2.0365 2.0496 2.2762 2.2791 2.7756 2.7756 3.2716 3.2789 3.6147 3.6575 3.8471 3.8877 7.1821 7.1827 9.0555 9.0562 11.4077 11.4126 12.3325 12.3373 k = 0.4305-0.3945 0.3974 ( 2093 PWs) bands (ev): -20.6336 -20.6336 -16.0635 -16.0635 -6.2818 -6.2812 -2.8622 -2.8621 -2.6679 -2.6665 -2.4138 -2.4138 1.6486 1.6612 1.8340 1.8347 2.0332 2.0582 2.2774 2.2831 2.7795 2.7797 3.2664 3.2814 3.5832 3.6591 3.8313 3.9037 7.1770 7.1781 9.0286 9.0300 11.4288 11.4387 12.3162 12.3260 k = 0.4327-0.3819 0.3924 ( 2097 PWs) bands (ev): -20.6341 -20.6341 -16.0622 -16.0621 -6.2834 -6.2826 -2.8690 -2.8690 -2.6740 -2.6720 -2.4129 -2.4128 1.6740 1.6926 1.8319 1.8336 2.0285 2.0636 2.2802 2.2885 2.7834 2.7839 3.2589 3.2820 3.5535 3.6496 3.8277 3.9202 7.1723 7.1739 9.0016 9.0035 11.4445 11.4593 12.3108 12.3254 k = 0.4348-0.3693 0.3875 ( 2095 PWs) bands (ev): -20.6346 -20.6346 -16.0607 -16.0607 -6.2846 -6.2835 -2.8785 -2.8785 -2.6784 -2.6757 -2.4118 -2.4117 1.6988 1.7228 1.8307 1.8340 2.0234 2.0664 2.2845 2.2953 2.7872 2.7884 3.2492 3.2807 3.5260 3.6302 3.8350 3.9369 7.1681 7.1701 8.9746 8.9771 11.4542 11.4733 12.3172 12.3363 k = 0.4370-0.3568 0.3825 ( 2097 PWs) bands (ev): -20.6352 -20.6352 -16.0591 -16.0591 -6.2854 -6.2840 -2.8906 -2.8905 -2.6809 -2.6777 -2.4106 -2.4105 1.7221 1.7505 1.8306 1.8365 2.0188 2.0669 2.2900 2.3029 2.7909 2.7932 3.2376 3.2776 3.5006 3.6045 3.8496 3.9534 7.1643 7.1667 8.9478 8.9508 11.4577 11.4805 12.3355 12.3585 k = 0.4392-0.3442 0.3776 ( 2102 PWs) bands (ev): -20.6359 -20.6359 -16.0574 -16.0574 -6.2857 -6.2842 -2.9051 -2.9049 -2.6817 -2.6781 -2.4092 -2.4092 1.7428 1.7740 1.8320 1.8417 2.0167 2.0658 2.2967 2.3111 2.7944 2.7981 3.2243 3.2727 3.4774 3.5756 3.8680 3.9697 7.1609 7.1637 8.9211 8.9246 11.4554 11.4810 12.3655 12.3916 k = 0.4414-0.3316 0.3726 ( 2098 PWs) bands (ev): -20.6366 -20.6366 -16.0556 -16.0556 -6.2857 -6.2839 -2.9217 -2.9213 -2.6810 -2.6771 -2.4078 -2.4077 1.7595 1.7910 1.8350 1.8505 2.0191 2.0641 2.3046 2.3195 2.7978 2.8034 3.2099 3.2661 3.4563 3.5457 3.8883 3.9855 7.1580 7.1612 8.8949 8.8988 11.4480 11.4756 12.4063 12.4347 k = 0.4435-0.3191 0.3677 ( 2096 PWs) bands (ev): -20.6374 -20.6374 -16.0537 -16.0537 -6.2852 -6.2833 -2.9401 -2.9396 -2.6791 -2.6749 -2.4063 -2.4062 1.7714 1.8010 1.8383 1.8627 2.0280 2.0627 2.3135 2.3277 2.8009 2.8089 3.1946 3.2579 3.4369 3.5156 3.9093 4.0005 7.1556 7.1591 8.8691 8.8734 11.4366 11.4654 12.4567 12.4868 k = 0.4457-0.3065 0.3627 ( 2091 PWs) bands (ev): -20.6382 -20.6382 -16.0517 -16.0517 -6.2843 -6.2822 -2.9600 -2.9592 -2.6761 -2.6717 -2.4047 -2.4046 1.7791 1.8055 1.8396 1.8768 2.0439 2.0630 2.3236 2.3356 2.8038 2.8147 3.1791 3.2481 3.4191 3.4862 3.9301 4.0146 7.1536 7.1574 8.8439 8.8485 11.4221 11.4514 12.5152 12.5466 k = 0.4479-0.2939 0.3577 ( 2088 PWs) bands (ev): -20.6391 -20.6390 -16.0496 -16.0496 -6.2831 -6.2808 -2.9811 -2.9801 -2.6723 -2.6677 -2.4030 -2.4029 1.7837 1.8057 1.8387 1.8902 2.0658 2.0664 2.3352 2.3428 2.8062 2.8207 3.1638 3.2368 3.4026 3.4578 3.9503 4.0276 7.1520 7.1561 8.8193 8.8242 11.4054 11.4348 12.5807 12.6130 k = 0.4501-0.2814 0.3528 ( 2084 PWs) bands (ev): -20.6400 -20.6399 -16.0475 -16.0475 -6.2814 -6.2790 -3.0032 -3.0020 -2.6679 -2.6632 -2.4013 -2.4012 1.7860 1.8013 1.8376 1.9007 2.0742 2.0914 2.3484 2.3492 2.8083 2.8270 3.1491 3.2242 3.3873 3.4308 3.9693 4.0392 7.1508 7.1551 8.7955 8.8007 11.3873 11.4165 12.6520 12.6850 k = 0.4522-0.2688 0.3478 ( 2084 PWs) bands (ev): -20.6409 -20.6408 -16.0454 -16.0453 -6.2794 -6.2769 -3.0260 -3.0246 -2.6629 -2.6581 -2.3995 -2.3994 1.7864 1.7923 1.8384 1.9074 2.0869 2.1184 2.3548 2.3637 2.8098 2.8333 3.1354 3.2103 3.3732 3.4056 3.9869 4.0492 7.1499 7.1544 8.7726 8.7779 11.3684 11.3972 12.7282 12.7617 k = 0.4544-0.2562 0.3429 ( 2080 PWs) bands (ev): -20.6418 -20.6418 -16.0432 -16.0431 -6.2771 -6.2745 -3.0493 -3.0477 -2.6576 -2.6527 -2.3977 -2.3976 1.7797 1.7852 1.8410 1.9107 2.1043 2.1451 2.3595 2.3816 2.8109 2.8398 3.1230 3.1954 3.3601 3.3822 4.0027 4.0575 7.1494 7.1540 8.7505 8.7560 11.3493 11.3774 12.8084 12.8425 k = 0.4566-0.2437 0.3379 ( 2083 PWs) bands (ev): -20.6428 -20.6427 -16.0410 -16.0409 -6.2745 -6.2717 -3.0729 -3.0712 -2.6519 -2.6470 -2.3959 -2.3958 1.7650 1.7821 1.8450 1.9116 2.1251 2.1698 2.3632 2.4026 2.8114 2.8461 3.1122 3.1796 3.3483 3.3608 4.0166 4.0639 7.1492 7.1539 8.7295 8.7350 11.3303 11.3576 12.8920 12.9265 k = 0.4587-0.2311 0.3330 ( 2079 PWs) bands (ev): -20.6437 -20.6437 -16.0388 -16.0387 -6.2715 -6.2688 -3.0967 -3.0948 -2.6461 -2.6412 -2.3941 -2.3940 1.7492 1.7771 1.8501 1.9116 2.1480 2.1918 2.3661 2.4267 2.8112 2.8521 3.1030 3.1631 3.3379 3.3418 4.0284 4.0682 7.1493 7.1541 8.7095 8.7151 11.3117 11.3381 12.9782 13.0132 k = 0.4609-0.2185 0.3280 ( 2079 PWs) bands (ev): -20.6447 -20.6446 -16.0366 -16.0366 -6.2683 -6.2655 -3.1204 -3.1184 -2.6401 -2.6352 -2.3923 -2.3921 1.7329 1.7699 1.8560 1.9118 2.1720 2.2104 2.3681 2.4538 2.8105 2.8576 3.0955 3.1462 3.3252 3.3291 4.0379 4.0704 7.1497 7.1544 8.6906 8.6962 11.2937 11.3192 13.0664 13.1021 k = 0.4631-0.2059 0.3231 ( 2082 PWs) bands (ev): -20.6456 -20.6456 -16.0345 -16.0344 -6.2649 -6.2621 -3.1439 -3.1419 -2.6340 -2.6292 -2.3905 -2.3904 1.7164 1.7608 1.8627 1.9129 2.1963 2.2258 2.3695 2.4832 2.8092 2.8624 3.0896 3.1290 3.3113 3.3224 4.0448 4.0702 7.1502 7.1549 8.6729 8.6784 11.2765 11.3010 13.1562 13.1924 k = 0.4653-0.1934 0.3181 ( 2081 PWs) bands (ev): -20.6466 -20.6465 -16.0324 -16.0323 -6.2613 -6.2585 -3.1671 -3.1650 -2.6279 -2.6232 -2.3887 -2.3886 1.7001 1.7498 1.8700 1.9153 2.2200 2.2382 2.3705 2.5140 2.8076 2.8663 3.0851 3.1119 3.3001 3.3182 4.0493 4.0678 7.1510 7.1556 8.6563 8.6618 11.2603 11.2836 13.2469 13.2837 k = 0.4674-0.1808 0.3132 ( 2081 PWs) bands (ev): -20.6475 -20.6474 -16.0303 -16.0302 -6.2576 -6.2549 -3.1898 -3.1876 -2.6219 -2.6173 -2.3870 -2.3869 1.6843 1.7374 1.8779 1.9188 2.2425 2.2481 2.3713 2.5449 2.8059 2.8692 3.0817 3.0950 3.2920 3.3169 4.0512 4.0629 7.1519 7.1564 8.6410 8.6464 11.2449 11.2671 13.3380 13.3753 k = 0.4696-0.1682 0.3082 ( 2078 PWs) bands (ev): -20.6484 -20.6483 -16.0283 -16.0282 -6.2538 -6.2511 -3.2118 -3.2096 -2.6160 -2.6115 -2.3853 -2.3852 1.6690 1.7240 1.8863 1.9234 2.2558 2.2631 2.3727 2.5745 2.8046 2.8710 3.0787 3.0789 3.2871 3.3191 4.0504 4.0556 7.1529 7.1573 8.6269 8.6321 11.2306 11.2516 13.4289 13.4666 k = 0.4718-0.1557 0.3033 ( 2080 PWs) bands (ev): -20.6492 -20.6492 -16.0264 -16.0263 -6.2499 -6.2473 -3.2330 -3.2308 -2.6102 -2.6059 -2.3837 -2.3836 1.6545 1.7099 1.8951 1.9290 2.2617 2.2807 2.3756 2.6013 2.8043 2.8719 3.0629 3.0762 3.2857 3.3248 4.0460 4.0470 7.1540 7.1583 8.6141 8.6190 11.2174 11.2372 13.5189 13.5570 k = 0.4739-0.1431 0.2983 ( 2084 PWs) bands (ev): -20.6501 -20.6500 -16.0246 -16.0245 -6.2461 -6.2436 -3.2533 -3.2512 -2.6047 -2.6006 -2.3822 -2.3821 1.6408 1.6954 1.9043 1.9353 2.2662 2.2941 2.3810 2.6238 2.8059 2.8717 3.0481 3.0731 3.2878 3.3345 4.0340 4.0410 7.1552 7.1593 8.6024 8.6071 11.2052 11.2237 13.6074 13.6456 k = 0.4761-0.1305 0.2934 ( 2084 PWs) bands (ev): -20.6508 -20.6508 -16.0229 -16.0228 -6.2423 -6.2399 -3.2724 -3.2704 -2.5993 -2.5955 -2.3807 -2.3806 1.6281 1.6810 1.9137 1.9421 2.2694 2.3025 2.3900 2.6404 2.8102 2.8709 3.0345 3.0696 3.2937 3.3477 4.0199 4.0325 7.1564 7.1603 8.5919 8.5963 11.1941 11.2113 13.6937 13.7316 k = 0.4783-0.1180 0.2884 ( 2079 PWs) bands (ev): -20.6516 -20.6515 -16.0212 -16.0212 -6.2386 -6.2364 -3.2904 -3.2885 -2.5943 -2.5907 -2.3794 -2.3793 1.6165 1.6668 1.9232 1.9492 2.2716 2.3063 2.4025 2.6503 2.8175 2.8696 3.0223 3.0654 3.3035 3.3642 4.0038 4.0218 7.1576 7.1612 8.5826 8.5867 11.1842 11.1999 13.7769 13.8143 k = 0.4805-0.1054 0.2835 ( 2080 PWs) bands (ev): -20.6522 -20.6522 -16.0198 -16.0197 -6.2351 -6.2330 -3.3071 -3.3053 -2.5895 -2.5862 -2.3782 -2.3781 1.6061 1.6531 1.9328 1.9564 2.2730 2.3065 2.4172 2.6538 2.8268 2.8679 3.0118 3.0607 3.3171 3.3834 3.9859 4.0087 7.1588 7.1622 8.5744 8.5781 11.1753 11.1896 13.8563 13.8927 k = 0.4826-0.0928 0.2785 ( 2084 PWs) bands (ev): -20.6528 -20.6528 -16.0184 -16.0184 -6.2317 -6.2298 -3.3223 -3.3207 -2.5852 -2.5822 -2.3770 -2.3769 1.5970 1.6400 1.9422 1.9636 2.2736 2.3044 2.4331 2.6521 2.8368 2.8660 3.0033 3.0555 3.3342 3.4044 3.9667 3.9936 7.1600 7.1630 8.5672 8.5706 11.1674 11.1803 13.9310 13.9659 k = 0.4848-0.0803 0.2736 ( 2078 PWs) bands (ev): -20.6534 -20.6534 -16.0172 -16.0172 -6.2287 -6.2270 -3.3360 -3.3345 -2.5812 -2.5786 -2.3760 -2.3759 1.5891 1.6278 1.9514 1.9704 2.2738 2.3010 2.4497 2.6466 2.8458 2.8641 2.9973 3.0500 3.3544 3.4264 3.9467 3.9769 7.1612 7.1638 8.5611 8.5641 11.1607 11.1720 14.0001 14.0329 k = 0.4870-0.0677 0.2686 ( 2082 PWs) bands (ev): -20.6539 -20.6539 -16.0161 -16.0161 -6.2259 -6.2244 -3.3480 -3.3467 -2.5777 -2.5754 -2.3751 -2.3750 1.5826 1.6165 1.9601 1.9767 2.2736 2.2968 2.4663 2.6382 2.8529 2.8624 2.9937 3.0443 3.3771 3.4484 3.9263 3.9588 7.1622 7.1645 8.5559 8.5586 11.1549 11.1647 14.0628 14.0927 k = 0.4891-0.0551 0.2637 ( 2084 PWs) bands (ev): -20.6543 -20.6543 -16.0152 -16.0152 -6.2234 -6.2221 -3.3583 -3.3572 -2.5747 -2.5727 -2.3743 -2.3743 1.5776 1.6062 1.9681 1.9823 2.2732 2.2923 2.4828 2.6279 2.8577 2.8608 2.9925 3.0385 3.4014 3.4693 3.9067 3.9399 7.1631 7.1651 8.5517 8.5539 11.1502 11.1584 14.1181 14.1446 k = 0.4913-0.0425 0.2587 ( 2084 PWs) bands (ev): -20.6547 -20.6546 -16.0145 -16.0144 -6.2213 -6.2203 -3.3669 -3.3660 -2.5721 -2.5705 -2.3737 -2.3736 1.5739 1.5972 1.9754 1.9869 2.2728 2.2879 2.4991 2.6162 2.8597 2.8602 2.9936 3.0326 3.4264 3.4876 3.8890 3.9209 7.1640 7.1656 8.5483 8.5501 11.1466 11.1532 14.1654 14.1875 k = 0.4935-0.0300 0.2538 ( 2085 PWs) bands (ev): -20.6549 -20.6549 -16.0139 -16.0139 -6.2196 -6.2189 -3.3735 -3.3728 -2.5700 -2.5688 -2.3732 -2.3731 1.5717 1.5894 1.9816 1.9904 2.2727 2.2839 2.5151 2.6035 2.8590 2.8611 2.9963 3.0268 3.4507 3.5016 3.8745 3.9026 7.1647 7.1659 8.5458 8.5472 11.1439 11.1489 14.2037 14.2210 k = 0.4957-0.0174 0.2488 ( 2086 PWs) bands (ev): -20.6551 -20.6551 -16.0134 -16.0134 -6.2184 -6.2179 -3.3783 -3.3778 -2.5685 -2.5676 -2.3728 -2.3728 1.5710 1.5829 1.9867 1.9926 2.2730 2.2803 2.5308 2.5900 2.8587 2.8609 3.0002 3.0211 3.4730 3.5098 3.8648 3.8861 7.1652 7.1660 8.5441 8.5450 11.1423 11.1456 14.2325 14.2443 k = 0.4978-0.0048 0.2439 ( 2082 PWs) bands (ev): -20.6552 -20.6552 -16.0132 -16.0132 -6.2176 -6.2173 -3.3811 -3.3809 -2.5674 -2.5670 -2.3726 -2.3726 1.5718 1.5777 1.9904 1.9934 2.2738 2.2775 2.5463 2.5759 2.8590 2.8603 3.0049 3.0155 3.4915 3.5110 3.8612 3.8728 7.1657 7.1661 8.5432 8.5437 11.1416 11.1433 14.2512 14.2573 k = 0.5000 0.0077 0.2389 ( 2088 PWs) bands (ev): -20.6553 -20.6553 -16.0131 -16.0131 -6.2172 -6.2172 -3.3820 -3.3820 -2.5670 -2.5670 -2.3725 -2.3725 1.5740 1.5740 1.9926 1.9926 2.2752 2.2752 2.5613 2.5613 2.8595 2.8595 3.0100 3.0100 3.5047 3.5047 3.8640 3.8640 7.1659 7.1659 8.5430 8.5430 11.1420 11.1420 14.2595 14.2595 k = 0.5000 0.0077 0.2389 ( 2088 PWs) bands (ev): -20.6553 -20.6553 -16.0131 -16.0131 -6.2172 -6.2172 -3.3820 -3.3820 -2.5670 -2.5670 -2.3725 -2.3725 1.5740 1.5740 1.9926 1.9926 2.2752 2.2752 2.5613 2.5613 2.8595 2.8595 3.0100 3.0100 3.5047 3.5047 3.8640 3.8640 7.1659 7.1659 8.5430 8.5430 11.1420 11.1420 14.2595 14.2595 k = 0.4944 0.0132 0.2504 ( 2082 PWs) bands (ev): -20.6552 -20.6552 -16.0130 -16.0130 -6.2171 -6.2171 -3.3818 -3.3817 -2.5673 -2.5671 -2.3733 -2.3730 1.5734 1.5756 1.9857 1.9953 2.2730 2.2806 2.5611 2.5622 2.8574 2.8618 3.0055 3.0146 3.5022 3.5074 3.8634 3.8646 7.1640 7.1658 8.5438 8.5446 11.1437 11.1445 14.2587 14.2619 k = 0.4889 0.0187 0.2618 ( 2080 PWs) bands (ev): -20.6551 -20.6551 -16.0129 -16.0129 -6.2169 -6.2168 -3.3812 -3.3810 -2.5681 -2.5677 -2.3752 -2.3747 1.5735 1.5780 1.9749 1.9934 2.2739 2.2887 2.5618 2.5638 2.8556 2.8643 3.0009 3.0189 3.5000 3.5104 3.8627 3.8651 7.1600 7.1635 8.5469 8.5484 11.1497 11.1514 14.2594 14.2658 k = 0.4833 0.0241 0.2733 ( 2078 PWs) bands (ev): -20.6548 -20.6548 -16.0127 -16.0127 -6.2164 -6.2163 -3.3802 -3.3799 -2.5694 -2.5689 -2.3785 -2.3777 1.5745 1.5812 1.9609 1.9873 2.2778 2.2989 2.5632 2.5662 2.8539 2.8669 2.9962 3.0232 3.4981 3.5136 3.8620 3.8656 7.1539 7.1591 8.5523 8.5545 11.1599 11.1624 14.2616 14.2712 k = 0.4778 0.0296 0.2847 ( 2080 PWs) bands (ev): -20.6545 -20.6545 -16.0124 -16.0124 -6.2158 -6.2157 -3.3788 -3.3783 -2.5713 -2.5705 -2.3829 -2.3819 1.5761 1.5851 1.9444 1.9775 2.2842 2.3106 2.5655 2.5690 2.8525 2.8696 2.9916 3.0274 3.4964 3.5170 3.8613 3.8661 7.1458 7.1527 8.5599 8.5628 11.1743 11.1777 14.2651 14.2781 k = 0.4722 0.0351 0.2962 ( 2080 PWs) bands (ev): -20.6541 -20.6541 -16.0120 -16.0120 -6.2151 -6.2149 -3.3769 -3.3764 -2.5736 -2.5727 -2.3884 -2.3871 1.5782 1.5896 1.9261 1.9647 2.2922 2.3234 2.5686 2.5725 2.8514 2.8723 2.9870 3.0315 3.4950 3.5205 3.8605 3.8665 7.1357 7.1443 8.5698 8.5733 11.1929 11.1972 14.2699 14.2865 k = 0.4667 0.0406 0.3076 ( 2076 PWs) bands (ev): -20.6536 -20.6536 -16.0115 -16.0115 -6.2141 -6.2139 -3.3747 -3.3740 -2.5765 -2.5754 -2.3950 -2.3934 1.5808 1.5946 1.9066 1.9498 2.3015 2.3368 2.5727 2.5765 2.8506 2.8752 2.9827 3.0356 3.4938 3.5242 3.8597 3.8669 7.1239 7.1340 8.5818 8.5859 11.2156 11.2208 14.2759 14.2964 k = 0.4611 0.0460 0.3191 ( 2076 PWs) bands (ev): -20.6531 -20.6531 -16.0109 -16.0109 -6.2130 -6.2128 -3.3720 -3.3712 -2.5800 -2.5787 -2.4025 -2.4007 1.5834 1.5997 1.8865 1.9334 2.3113 2.3505 2.5775 2.5809 2.8500 2.8781 2.9786 3.0397 3.4928 3.5280 3.8589 3.8672 7.1103 7.1219 8.5959 8.6007 11.2423 11.2484 14.2828 14.3077 k = 0.4556 0.0515 0.3305 ( 2074 PWs) bands (ev): -20.6524 -20.6524 -16.0103 -16.0102 -6.2117 -6.2115 -3.3689 -3.3681 -2.5842 -2.5827 -2.4109 -2.4088 1.5859 1.6046 1.8664 1.9164 2.3212 2.3643 2.5831 2.5858 2.8498 2.8810 2.9748 3.0438 3.4920 3.5318 3.8581 3.8676 7.0950 7.1081 8.6122 8.6175 11.2730 11.2799 14.2905 14.3202 k = 0.4500 0.0570 0.3420 ( 2078 PWs) bands (ev): -20.6517 -20.6517 -16.0096 -16.0095 -6.2103 -6.2101 -3.3655 -3.3645 -2.5891 -2.5874 -2.4200 -2.4177 1.5877 1.6088 1.8472 1.8995 2.3309 2.3778 2.5886 2.5918 2.8499 2.8838 2.9716 3.0479 3.4913 3.5356 3.8572 3.8679 7.0782 7.0927 8.6305 8.6363 11.3075 11.3153 14.2987 14.3339 k = 0.4444 0.0624 0.3534 ( 2074 PWs) bands (ev): -20.6509 -20.6509 -16.0088 -16.0087 -6.2088 -6.2085 -3.3617 -3.3606 -2.5947 -2.5928 -2.4297 -2.4271 1.5885 1.6115 1.8296 1.8834 2.3404 2.3911 2.5938 2.5991 2.8503 2.8866 2.9690 3.0523 3.4907 3.5394 3.8564 3.8682 7.0600 7.0758 8.6508 8.6571 11.3457 11.3545 14.3069 14.3485 k = 0.4389 0.0679 0.3649 ( 2068 PWs) bands (ev): -20.6500 -20.6500 -16.0079 -16.0078 -6.2071 -6.2067 -3.3575 -3.3564 -2.6011 -2.5991 -2.4398 -2.4369 1.5875 1.6118 1.8149 1.8690 2.3494 2.4039 2.5987 2.6074 2.8509 2.8894 2.9673 3.0568 3.4902 3.5431 3.8556 3.8686 7.0406 7.0576 8.6730 8.6797 11.3876 11.3972 14.3147 14.3638 k = 0.4333 0.0734 0.3763 ( 2070 PWs) bands (ev): -20.6490 -20.6490 -16.0070 -16.0069 -6.2052 -6.2049 -3.3530 -3.3518 -2.6084 -2.6062 -2.4502 -2.4471 1.5841 1.6086 1.8041 1.8569 2.3578 2.4161 2.6033 2.6166 2.8516 2.8920 2.9665 3.0615 3.4897 3.5467 3.8548 3.8689 7.0200 7.0382 8.6971 8.7043 11.4328 11.4435 14.3212 14.3794 k = 0.4278 0.0788 0.3878 ( 2072 PWs) bands (ev): -20.6480 -20.6480 -16.0060 -16.0059 -6.2033 -6.2029 -3.3482 -3.3469 -2.6166 -2.6144 -2.4606 -2.4574 1.5776 1.6012 1.7981 1.8480 2.3658 2.4276 2.6076 2.6265 2.8525 2.8945 2.9668 3.0664 3.4891 3.5501 3.8540 3.8692 6.9984 7.0177 8.7231 8.7306 11.4814 11.4930 14.3251 14.3946 k = 0.4222 0.0843 0.3992 ( 2070 PWs) bands (ev): -20.6469 -20.6469 -16.0049 -16.0048 -6.2012 -6.2008 -3.3431 -3.3418 -2.6259 -2.6235 -2.4711 -2.4676 1.5676 1.5896 1.7971 1.8426 2.3732 2.4385 2.6117 2.6368 2.8534 2.8971 2.9683 3.0717 3.4885 3.5533 3.8533 3.8695 6.9760 6.9962 8.7509 8.7588 11.5331 11.5458 14.3248 14.4085 k = 0.4167 0.0898 0.4107 ( 2072 PWs) bands (ev): -20.6458 -20.6458 -16.0038 -16.0037 -6.1991 -6.1987 -3.3378 -3.3364 -2.6361 -2.6337 -2.4813 -2.4777 1.5540 1.5742 1.8005 1.8408 2.3802 2.4487 2.6154 2.6476 2.8542 2.8998 2.9710 3.0773 3.4877 3.5563 3.8527 3.8699 6.9527 6.9739 8.7805 8.7887 11.5877 11.6016 14.3175 14.4190 k = 0.4111 0.0953 0.4221 ( 2064 PWs) bands (ev): -20.6447 -20.6447 -16.0027 -16.0026 -6.1968 -6.1964 -3.3322 -3.3307 -2.6473 -2.6448 -2.4913 -2.4876 1.5369 1.5560 1.8077 1.8426 2.3868 2.4582 2.6189 2.6587 2.8550 2.9029 2.9749 3.0833 3.4868 3.5591 3.8522 3.8703 6.9289 6.9509 8.8118 8.8205 11.6450 11.6602 14.2992 14.4224 k = 0.4056 0.1007 0.4336 ( 2066 PWs) bands (ev): -20.6435 -20.6435 -16.0015 -16.0014 -6.1945 -6.1940 -3.3264 -3.3249 -2.6594 -2.6570 -2.5010 -2.4971 1.5170 1.5356 1.8176 1.8475 2.3929 2.4668 2.6219 2.6698 2.8555 2.9064 2.9799 3.0896 3.4857 3.5616 3.8518 3.8707 6.9045 6.9273 8.8450 8.8540 11.7048 11.7214 14.2648 14.4109 k = 0.4000 0.1062 0.4450 ( 2066 PWs) bands (ev): -20.6422 -20.6422 -16.0003 -16.0001 -6.1921 -6.1916 -3.3204 -3.3189 -2.6724 -2.6701 -2.5102 -2.5063 1.4948 1.5138 1.8296 1.8549 2.3988 2.4748 2.6247 2.6808 2.8559 2.9107 2.9858 3.0963 3.4844 3.5637 3.8516 3.8711 6.8798 6.9032 8.8800 8.8893 11.7668 11.7850 14.2092 14.3709 k = 0.3944 0.1117 0.4565 ( 2070 PWs) bands (ev): -20.6409 -20.6409 -15.9990 -15.9989 -6.1896 -6.1892 -3.3143 -3.3128 -2.6862 -2.6839 -2.5190 -2.5151 1.4712 1.4909 1.8430 1.8644 2.4042 2.4820 2.6272 2.6916 2.8562 2.9157 2.9924 3.1033 3.4828 3.5654 3.8514 3.8716 6.8548 6.8788 8.9167 8.9263 11.8308 11.8508 14.1301 14.2909 k = 0.3889 0.1171 0.4679 ( 2072 PWs) bands (ev): -20.6396 -20.6396 -15.9977 -15.9976 -6.1871 -6.1866 -3.3081 -3.3065 -2.7006 -2.6984 -2.5275 -2.5235 1.4466 1.4672 1.8574 1.8754 2.4094 2.4885 2.6295 2.7020 2.8565 2.9215 2.9996 3.1106 3.4810 3.5668 3.8514 3.8721 6.8296 6.8542 8.9553 8.9652 11.8965 11.9186 14.0297 14.1764 k = 0.3833 0.1226 0.4794 ( 2070 PWs) bands (ev): -20.6383 -20.6383 -15.9964 -15.9963 -6.1846 -6.1841 -3.3018 -3.3003 -2.7154 -2.7133 -2.5357 -2.5317 1.4216 1.4430 1.8725 1.8877 2.4144 2.4943 2.6318 2.7120 2.8571 2.9283 3.0074 3.1184 3.4789 3.5678 3.8516 3.8727 6.8045 6.8296 8.9956 9.0059 11.9633 11.9880 13.9134 14.0420 k = 0.3778 0.1281 0.4908 ( 2072 PWs) bands (ev): -20.6370 -20.6370 -15.9951 -15.9950 -6.1820 -6.1815 -3.2956 -3.2940 -2.7305 -2.7285 -2.5435 -2.5395 1.3963 1.4185 1.8881 1.9008 2.4191 2.4992 2.6340 2.7214 2.8579 2.9359 3.0155 3.1264 3.4765 3.5685 3.8519 3.8733 6.7794 6.8049 9.0378 9.0485 12.0309 12.0589 13.7865 13.8983 k = 0.3722 0.1335 0.5023 ( 2072 PWs) bands (ev): -20.6357 -20.6357 -15.9938 -15.9937 -6.1795 -6.1790 -3.2893 -3.2878 -2.7457 -2.7439 -2.5511 -2.5471 1.3711 1.3940 1.9038 1.9144 2.4235 2.5035 2.6362 2.7301 2.8592 2.9443 3.0237 3.1346 3.4739 3.5688 3.8524 3.8740 6.7545 6.7804 9.0819 9.0929 12.0987 12.1307 13.6536 13.7506 k = 0.3667 0.1390 0.5137 ( 2074 PWs) bands (ev): -20.6344 -20.6344 -15.9925 -15.9924 -6.1769 -6.1764 -3.2832 -3.2817 -2.7609 -2.7592 -2.5585 -2.5544 1.3462 1.3696 1.9196 1.9285 2.4277 2.5070 2.6386 2.7380 2.8611 2.9535 3.0321 3.1430 3.4710 3.5687 3.8531 3.8747 6.7299 6.7561 9.1279 9.1393 12.1658 12.2031 13.5178 13.6019 k = 0.3611 0.1445 0.5252 ( 2080 PWs) bands (ev): -20.6331 -20.6331 -15.9912 -15.9911 -6.1744 -6.1739 -3.2772 -3.2757 -2.7759 -2.7743 -2.5657 -2.5616 1.3217 1.3455 1.9352 1.9426 2.4316 2.5097 2.6412 2.7451 2.8638 2.9633 3.0404 3.1515 3.4679 3.5682 3.8539 3.8754 6.7057 6.7322 9.1759 9.1877 12.2309 12.2756 13.3819 13.4544 k = 0.3556 0.1500 0.5366 ( 2078 PWs) bands (ev): -20.6318 -20.6318 -15.9900 -15.9898 -6.1719 -6.1714 -3.2714 -3.2699 -2.7906 -2.7890 -2.5727 -2.5686 1.2977 1.3219 1.9506 1.9567 2.4353 2.5117 2.6441 2.7514 2.8673 2.9738 3.0487 3.1602 3.4645 3.5674 3.8548 3.8762 6.6821 6.7087 9.2258 9.2380 12.2921 12.3471 13.2479 13.3104 k = 0.3500 0.1554 0.5481 ( 2080 PWs) bands (ev): -20.6305 -20.6305 -15.9887 -15.9886 -6.1694 -6.1689 -3.2658 -3.2644 -2.8047 -2.8033 -2.5796 -2.5755 1.2743 1.2988 1.9657 1.9707 2.4388 2.5130 2.6472 2.7567 2.8717 2.9846 3.0568 3.1688 3.4609 3.5663 3.8559 3.8771 6.6590 6.6858 9.2778 9.2905 12.3456 12.4162 13.1181 13.1737 k = 0.3444 0.1609 0.5595 ( 2080 PWs) bands (ev): -20.6292 -20.6292 -15.9875 -15.9873 -6.1670 -6.1665 -3.2605 -3.2592 -2.8183 -2.8169 -2.5864 -2.5823 1.2518 1.2765 1.9802 1.9843 2.4420 2.5138 2.6506 2.7613 2.8770 2.9958 3.0647 3.1773 3.4572 3.5649 3.8571 3.8781 6.6366 6.6635 9.3319 9.3450 12.3849 12.4794 12.9942 13.0532 k = 0.3389 0.1664 0.5710 ( 2074 PWs) bands (ev): -20.6280 -20.6280 -15.9863 -15.9861 -6.1647 -6.1642 -3.2556 -3.2544 -2.8310 -2.8297 -2.5930 -2.5889 1.2301 1.2549 1.9942 1.9976 2.4450 2.5140 2.6543 2.7650 2.8832 3.0072 3.0724 3.1857 3.4532 3.5632 3.8584 3.8791 6.6150 6.6420 9.3881 9.4016 12.3984 12.5266 12.8835 12.9633 k = 0.3333 0.1718 0.5824 ( 2074 PWs) bands (ev): -20.6269 -20.6268 -15.9851 -15.9850 -6.1624 -6.1619 -3.2512 -3.2500 -2.8429 -2.8416 -2.5995 -2.5953 1.2093 1.2342 2.0075 2.0104 2.4477 2.5138 2.6582 2.7680 2.8902 3.0186 3.0798 3.1938 3.4492 3.5614 3.8597 3.8801 6.5942 6.6212 9.4465 9.4605 12.3728 12.5286 12.8153 12.9173 k = 0.3278 0.1773 0.5939 ( 2074 PWs) bands (ev): -20.6257 -20.6257 -15.9840 -15.9839 -6.1603 -6.1597 -3.2471 -3.2461 -2.8539 -2.8526 -2.6059 -2.6017 1.1895 1.2145 2.0201 2.0226 2.4501 2.5131 2.6624 2.7703 2.8979 3.0299 3.0869 3.2016 3.4450 3.5593 3.8610 3.8812 6.5744 6.6014 9.5070 9.5215 12.3062 12.4582 12.8186 12.9151 k = 0.3222 0.1828 0.6053 ( 2072 PWs) bands (ev): -20.6246 -20.6246 -15.9830 -15.9828 -6.1582 -6.1577 -3.2436 -3.2427 -2.8639 -2.8626 -2.6121 -2.6078 1.1708 1.1959 2.0319 2.0341 2.4523 2.5121 2.6669 2.7720 2.9061 3.0409 3.0939 3.2090 3.4408 3.5572 3.8624 3.8823 6.5556 6.5826 9.5699 9.5847 12.2112 12.3462 12.8633 12.9430 k = 0.3167 0.1882 0.6168 ( 2072 PWs) bands (ev): -20.6236 -20.6236 -15.9820 -15.9818 -6.1562 -6.1557 -3.2405 -3.2397 -2.8728 -2.8715 -2.6181 -2.6138 1.1532 1.1783 2.0429 2.0450 2.4542 2.5109 2.6714 2.7732 2.9147 3.0514 3.1007 3.2159 3.4366 3.5550 3.8637 3.8834 6.5379 6.5648 9.6349 9.6502 12.1011 12.2214 12.9211 12.9868 k = 0.3111 0.1937 0.6282 ( 2068 PWs) bands (ev): -20.6227 -20.6227 -15.9810 -15.9808 -6.1544 -6.1539 -3.2380 -3.2373 -2.8806 -2.8793 -2.6239 -2.6195 1.1369 1.1620 2.0531 2.0551 2.4560 2.5095 2.6761 2.7740 2.9235 3.0611 3.1075 3.2222 3.4325 3.5528 3.8650 3.8846 6.5213 6.5482 9.7022 9.7178 11.9841 12.0935 12.9821 13.0380 k = 0.3056 0.1992 0.6397 ( 2066 PWs) bands (ev): -20.6218 -20.6218 -15.9801 -15.9800 -6.1527 -6.1522 -3.2360 -3.2354 -2.8874 -2.8861 -2.6294 -2.6250 1.1217 1.1468 2.0625 2.0644 2.4575 2.5080 2.6808 2.7745 2.9324 3.0698 3.1145 3.2278 3.4285 3.5506 3.8662 3.8858 6.5060 6.5328 9.7717 9.7876 11.8646 11.9659 13.0427 13.0919 k = 0.3000 0.2047 0.6511 ( 2068 PWs) bands (ev): -20.6210 -20.6210 -15.9793 -15.9792 -6.1511 -6.1506 -3.2344 -3.2339 -2.8931 -2.8919 -2.6347 -2.6302 1.1079 1.1330 2.0710 2.0728 2.4588 2.5064 2.6854 2.7746 2.9411 3.0773 3.1216 3.2326 3.4247 3.5485 3.8673 3.8869 6.4920 6.5186 9.8433 9.8593 11.7450 11.8403 13.1013 13.1457 k = 0.2944 0.2101 0.6626 ( 2070 PWs) bands (ev): -20.6202 -20.6202 -15.9786 -15.9784 -6.1497 -6.1492 -3.2333 -3.2329 -2.8978 -2.8967 -2.6395 -2.6350 1.0954 1.1205 2.0786 2.0804 2.4599 2.5048 2.6900 2.7745 2.9496 3.0835 3.1289 3.2367 3.4211 3.5465 3.8683 3.8880 6.4792 6.5058 9.9168 9.9327 11.6267 11.7175 13.1566 13.1976 k = 0.2889 0.2156 0.6740 ( 2068 PWs) bands (ev): -20.6195 -20.6195 -15.9779 -15.9778 -6.1484 -6.1479 -3.2326 -3.2322 -2.9017 -2.9006 -2.6440 -2.6394 1.0843 1.1093 2.0854 2.0871 2.4609 2.5033 2.6943 2.7742 2.9577 3.0883 3.1365 3.2400 3.4178 3.5446 3.8692 3.8890 6.4679 6.4943 9.9921 10.0076 11.5108 11.5985 13.2078 13.2463 k = 0.2833 0.2211 0.6855 ( 2072 PWs) bands (ev): -20.6190 -20.6190 -15.9774 -15.9772 -6.1473 -6.1468 -3.2321 -3.2318 -2.9047 -2.9037 -2.6480 -2.6434 1.0746 1.0996 2.0912 2.0929 2.4617 2.5018 2.6983 2.7737 2.9651 3.0920 3.1439 3.2425 3.4148 3.5429 3.8700 3.8900 6.4580 6.4843 10.0686 10.0834 11.3983 11.4840 13.2540 13.2908 k = 0.2778 0.2265 0.6969 ( 2072 PWs) bands (ev): -20.6185 -20.6185 -15.9769 -15.9767 -6.1463 -6.1458 -3.2319 -3.2316 -2.9070 -2.9061 -2.6516 -2.6469 1.0663 1.0913 2.0962 2.0978 2.4624 2.5006 2.7020 2.7732 2.9718 3.0946 3.1509 3.2443 3.4123 3.5415 3.8707 3.8908 6.4495 6.4757 10.1456 10.1590 11.2904 11.3753 13.2946 13.3301 k = 0.2722 0.2320 0.7084 ( 2072 PWs) bands (ev): -20.6181 -20.6181 -15.9765 -15.9763 -6.1455 -6.1450 -3.2318 -3.2316 -2.9087 -2.9080 -2.6545 -2.6498 1.0595 1.0845 2.1003 2.1017 2.4629 2.4995 2.7052 2.7727 2.9775 3.0965 3.1573 3.2453 3.4102 3.5402 3.8712 3.8916 6.4426 6.4687 10.2217 10.2329 11.1886 11.2741 13.3289 13.3635 k = 0.2667 0.2375 0.7198 ( 2072 PWs) bands (ev): -20.6177 -20.6177 -15.9761 -15.9760 -6.1449 -6.1444 -3.2318 -3.2316 -2.9099 -2.9093 -2.6569 -2.6521 1.0542 1.0792 2.1035 2.1048 2.4633 2.4986 2.7078 2.7721 2.9822 3.0977 3.1628 3.2458 3.4085 3.5392 3.8717 3.8922 6.4371 6.4631 10.2945 10.3023 11.0958 11.1834 13.3562 13.3902 k = 0.2611 0.2430 0.7313 ( 2076 PWs) bands (ev): -20.6175 -20.6175 -15.9759 -15.9757 -6.1444 -6.1440 -3.2319 -3.2317 -2.9107 -2.9102 -2.6586 -2.6538 1.0504 1.0753 2.1058 2.1070 2.4636 2.4979 2.7097 2.7716 2.9857 3.0984 3.1669 3.2460 3.4073 3.5385 3.8720 3.8926 6.4332 6.4592 10.3591 10.3623 11.0167 11.1081 13.3761 13.4097 k = 0.2556 0.2484 0.7427 ( 2074 PWs) bands (ev): -20.6174 -20.6174 -15.9758 -15.9756 -6.1442 -6.1437 -3.2319 -3.2317 -2.9112 -2.9107 -2.6596 -2.6549 1.0481 1.0730 2.1072 2.1083 2.4638 2.4975 2.7109 2.7714 2.9878 3.0988 3.1696 3.2460 3.4066 3.5381 3.8722 3.8929 6.4309 6.4568 10.4048 10.4068 10.9604 11.0563 13.3883 13.4216 k = 0.2500 0.2539 0.7542 ( 2072 PWs) bands (ev): -20.6173 -20.6173 -15.9757 -15.9756 -6.1441 -6.1436 -3.2320 -3.2318 -2.9113 -2.9109 -2.6600 -2.6552 1.0474 1.0723 2.1076 2.1088 2.4639 2.4974 2.7114 2.7713 2.9885 3.0989 3.1705 3.2460 3.4064 3.5380 3.8722 3.8930 6.4301 6.4560 10.4207 10.4250 10.9393 11.0374 13.3923 13.4256 k = 0.2578-0.2539 0.7542 ( 2084 PWs) bands (ev): -20.6189 -20.6188 -16.0115 -16.0114 -6.1372 -6.1314 -2.9236 -2.9231 -2.9008 -2.8981 -2.5580 -2.5469 1.4161 1.4548 1.6253 1.6864 1.7745 1.8275 2.3983 2.4884 2.6811 2.8140 3.1329 3.1854 3.9863 4.0301 4.1128 4.1861 6.7465 6.7651 9.8978 9.9010 11.9082 11.9233 12.5772 12.5806 k = 0.2635-0.2594 0.7426 ( 2082 PWs) bands (ev): -20.6191 -20.6190 -16.0143 -16.0143 -6.1440 -6.1383 -2.9053 -2.9049 -2.8976 -2.8948 -2.5604 -2.5495 1.4396 1.4776 1.6275 1.6866 1.7783 1.8310 2.4051 2.4946 2.6784 2.8020 3.1274 3.1880 3.9661 4.0114 4.0992 4.1723 6.7607 6.7788 9.8524 9.8555 12.0146 12.0330 12.5143 12.5183 k = 0.2691-0.2649 0.7310 ( 2082 PWs) bands (ev): -20.6195 -20.6194 -16.0171 -16.0171 -6.1510 -6.1454 -2.8956 -2.8937 -2.8852 -2.8840 -2.5628 -2.5521 1.4626 1.5000 1.6301 1.6870 1.7826 1.8351 2.4114 2.5004 2.6759 2.7894 3.1219 3.1911 3.9455 3.9930 4.0861 4.1585 6.7757 6.7932 9.8080 9.8110 12.1157 12.1382 12.4542 12.4594 k = 0.2747-0.2705 0.7195 ( 2080 PWs) bands (ev): -20.6199 -20.6198 -16.0199 -16.0199 -6.1580 -6.1525 -2.8927 -2.8906 -2.8656 -2.8648 -2.5653 -2.5548 1.4849 1.5218 1.6332 1.6877 1.7875 1.8397 2.4169 2.5056 2.6736 2.7767 3.1166 3.1945 3.9248 3.9750 4.0735 4.1446 6.7915 6.8083 9.7645 9.7676 12.2043 12.2314 12.4030 12.4097 k = 0.2803-0.2760 0.7079 ( 2082 PWs) bands (ev): -20.6203 -20.6202 -16.0227 -16.0226 -6.1650 -6.1596 -2.8900 -2.8880 -2.8455 -2.8448 -2.5677 -2.5574 1.5061 1.5426 1.6371 1.6889 1.7929 1.8450 2.4215 2.5100 2.6717 2.7640 3.1116 3.1983 3.9043 3.9575 4.0611 4.1305 6.8078 6.8241 9.7221 9.7252 12.2518 12.2738 12.3959 12.3980 k = 0.2859-0.2815 0.6963 ( 2082 PWs) bands (ev): -20.6208 -20.6207 -16.0254 -16.0254 -6.1719 -6.1667 -2.8875 -2.8855 -2.8251 -2.8244 -2.5700 -2.5600 1.5256 1.5621 1.6421 1.6908 1.7991 1.8508 2.4248 2.5132 2.6703 2.7517 3.1071 3.2025 3.8843 3.9409 4.0489 4.1164 6.8248 6.8405 9.6808 9.6839 12.2294 12.2389 12.4452 12.4637 k = 0.2915-0.2870 0.6848 ( 2085 PWs) bands (ev): -20.6213 -20.6213 -16.0281 -16.0281 -6.1788 -6.1737 -2.8851 -2.8832 -2.8046 -2.8039 -2.5721 -2.5624 1.5430 1.5796 1.6486 1.6939 1.8058 1.8573 2.4267 2.5148 2.6697 2.7401 3.1030 3.2071 3.8646 3.9250 4.0369 4.1021 6.8424 6.8574 9.6406 9.6437 12.1803 12.1854 12.5123 12.5389 k = 0.2971-0.2926 0.6732 ( 2081 PWs) bands (ev): -20.6219 -20.6219 -16.0308 -16.0307 -6.1857 -6.1807 -2.8827 -2.8809 -2.7841 -2.7834 -2.5740 -2.5646 1.5576 1.5947 1.6572 1.6986 1.8133 1.8644 2.4270 2.5147 2.6699 2.7299 3.0998 3.2122 3.8456 3.9100 4.0251 4.0877 6.8604 6.8748 9.6014 9.6046 12.1261 12.1293 12.5738 12.6056 k = 0.3027-0.2981 0.6616 ( 2079 PWs) bands (ev): -20.6225 -20.6225 -16.0334 -16.0334 -6.1925 -6.1877 -2.8805 -2.8788 -2.7638 -2.7631 -2.5755 -2.5665 1.5691 1.6068 1.6678 1.7052 1.8216 1.8722 2.4257 2.5122 2.6712 2.7214 3.0973 3.2176 3.8272 3.8959 4.0135 4.0732 6.8789 6.8926 9.5634 9.5665 12.0711 12.0734 12.6236 12.6590 k = 0.3083-0.3036 0.6501 ( 2074 PWs) bands (ev): -20.6232 -20.6231 -16.0359 -16.0359 -6.1991 -6.1945 -2.8784 -2.8767 -2.7440 -2.7434 -2.5765 -2.5678 1.5777 1.6158 1.6803 1.7138 1.8306 1.8806 2.4226 2.5073 2.6735 2.7150 3.0957 3.2235 3.8095 3.8825 4.0021 4.0586 6.8977 6.9108 9.5264 9.5296 12.0167 12.0184 12.6596 12.6971 k = 0.3140-0.3091 0.6385 ( 2078 PWs) bands (ev): -20.6238 -20.6238 -16.0384 -16.0384 -6.2056 -6.2012 -2.8763 -2.8748 -2.7249 -2.7244 -2.5767 -2.5685 1.5838 1.6217 1.6939 1.7241 1.8404 1.8896 2.4177 2.4999 2.6768 2.7107 3.0951 3.2297 3.7923 3.8699 3.9909 4.0439 6.9168 6.9293 9.4905 9.4936 11.9634 11.9648 12.6815 12.7194 k = 0.3196-0.3147 0.6270 ( 2079 PWs) bands (ev): -20.6245 -20.6244 -16.0409 -16.0408 -6.2120 -6.2077 -2.8744 -2.8729 -2.7070 -2.7067 -2.5758 -2.5681 1.5880 1.6253 1.7080 1.7355 1.8510 1.8992 2.4114 2.4900 2.6811 2.7086 3.0955 3.2363 3.7758 3.8581 3.9800 4.0293 6.9360 6.9479 9.4556 9.4588 11.9116 11.9127 12.6903 12.7272 k = 0.3252-0.3202 0.6154 ( 2073 PWs) bands (ev): -20.6252 -20.6251 -16.0432 -16.0432 -6.2181 -6.2140 -2.8725 -2.8712 -2.6907 -2.6907 -2.5734 -2.5663 1.5910 1.6271 1.7220 1.7472 1.8624 1.9094 2.4037 2.4782 2.6864 2.7086 3.0971 3.2432 3.7598 3.8468 3.9695 4.0148 6.9554 6.9666 9.4220 9.4251 11.8615 11.8624 12.6879 12.7228 k = 0.3308-0.3257 0.6038 ( 2077 PWs) bands (ev): -20.6258 -20.6258 -16.0454 -16.0454 -6.2241 -6.2202 -2.8708 -2.8695 -2.6771 -2.6766 -2.5690 -2.5627 1.5929 1.6276 1.7354 1.7588 1.8746 1.9200 2.3948 2.4647 2.6922 2.7102 3.0999 3.2503 3.7444 3.8360 3.9592 4.0004 6.9748 6.9853 9.3894 9.3925 11.8132 11.8140 12.6766 12.7089 k = 0.3364-0.3312 0.5923 ( 2078 PWs) bands (ev): -20.6265 -20.6265 -16.0476 -16.0476 -6.2298 -6.2261 -2.8691 -2.8679 -2.6662 -2.6652 -2.5622 -2.5568 1.5942 1.6272 1.7479 1.7698 1.8873 1.9309 2.3850 2.4500 2.6986 2.7130 3.1037 3.2576 3.7295 3.8256 3.9495 3.9863 6.9940 7.0039 9.3580 9.3610 11.7670 11.7676 12.6586 12.6881 k = 0.3420-0.3368 0.5807 ( 2080 PWs) bands (ev): -20.6272 -20.6271 -16.0497 -16.0496 -6.2353 -6.2318 -2.8675 -2.8664 -2.6582 -2.6566 -2.5529 -2.5486 1.5950 1.6262 1.7594 1.7801 1.9006 1.9421 2.3747 2.4346 2.7053 2.7169 3.1088 3.2650 3.7152 3.8155 3.9402 3.9727 7.0130 7.0223 9.3279 9.3308 11.7229 11.7234 12.6359 12.6625 k = 0.3476-0.3423 0.5691 ( 2079 PWs) bands (ev): -20.6278 -20.6278 -16.0516 -16.0516 -6.2405 -6.2372 -2.8661 -2.8651 -2.6529 -2.6508 -2.5416 -2.5381 1.5955 1.6247 1.7700 1.7896 1.9140 1.9532 2.3640 2.4189 2.7123 2.7214 3.1150 3.2724 3.7014 3.8054 3.9315 3.9595 7.0317 7.0404 9.2990 9.3018 11.6810 11.6815 12.6102 12.6341 k = 0.3532-0.3478 0.5576 ( 2081 PWs) bands (ev): -20.6284 -20.6284 -16.0535 -16.0535 -6.2455 -6.2424 -2.8647 -2.8638 -2.6497 -2.6472 -2.5289 -2.5261 1.5957 1.6229 1.7796 1.7981 1.9275 1.9642 2.3532 2.4031 2.7193 2.7263 3.1224 3.2797 3.6883 3.7953 3.9233 3.9471 7.0499 7.0580 9.2715 9.2743 11.6415 11.6419 12.5829 12.6042 k = 0.3588-0.3533 0.5460 ( 2079 PWs) bands (ev): -20.6290 -20.6290 -16.0552 -16.0552 -6.2501 -6.2472 -2.8634 -2.8626 -2.6480 -2.6453 -2.5154 -2.5133 1.5957 1.6209 1.7884 1.8058 1.9408 1.9749 2.3425 2.3877 2.7262 2.7315 3.1308 3.2868 3.6760 3.7850 3.9157 3.9354 7.0676 7.0750 9.2455 9.2481 11.6045 11.6048 12.5549 12.5738 k = 0.3644-0.3589 0.5345 ( 2082 PWs) bands (ev): -20.6296 -20.6296 -16.0568 -16.0568 -6.2544 -6.2518 -2.8623 -2.8615 -2.6473 -2.6445 -2.5018 -2.5001 1.5956 1.6187 1.7962 1.8127 1.9537 1.9851 2.3321 2.3727 2.7328 2.7367 3.1402 3.2934 3.6645 3.7744 3.9087 3.9247 7.0845 7.0913 9.2210 9.2235 11.5700 11.5703 12.5272 12.5439 k = 0.3701-0.3644 0.5229 ( 2084 PWs) bands (ev): -20.6302 -20.6301 -16.0583 -16.0583 -6.2584 -6.2560 -2.8612 -2.8605 -2.6472 -2.6444 -2.4884 -2.4871 1.5955 1.6165 1.8033 1.8186 1.9661 1.9947 2.3222 2.3584 2.7391 2.7419 3.1505 3.2992 3.6540 3.7634 3.9023 3.9149 7.1005 7.1067 9.1982 9.2004 11.5382 11.5385 12.5004 12.5151 k = 0.3757-0.3699 0.5113 ( 2086 PWs) bands (ev): -20.6307 -20.6306 -16.0597 -16.0597 -6.2620 -6.2599 -2.8602 -2.8596 -2.6475 -2.6449 -2.4757 -2.4746 1.5953 1.6142 1.8097 1.8238 1.9778 2.0036 2.3130 2.3450 2.7450 2.7468 3.1616 3.3041 3.6448 3.7520 3.8965 3.9062 7.1156 7.1212 9.1771 9.1792 11.5092 11.5094 12.4750 12.4878 k = 0.3813-0.3754 0.4998 ( 2082 PWs) bands (ev): -20.6311 -20.6311 -16.0609 -16.0609 -6.2653 -6.2634 -2.8593 -2.8588 -2.6480 -2.6456 -2.4638 -2.4629 1.5952 1.6120 1.8155 1.8283 1.9887 2.0116 2.3046 2.3326 2.7505 2.7516 3.1735 3.3079 3.6371 3.7402 3.8914 3.8986 7.1296 7.1345 9.1578 9.1597 11.4830 11.4831 12.4514 12.4625 k = 0.3869-0.3810 0.4882 ( 2084 PWs) bands (ev): -20.6315 -20.6315 -16.0620 -16.0620 -6.2682 -6.2665 -2.8586 -2.8581 -2.6486 -2.6464 -2.4530 -2.4523 1.5951 1.6098 1.8205 1.8320 1.9986 2.0187 2.2970 2.3212 2.7555 2.7560 3.1860 3.3102 3.6311 3.7280 3.8869 3.8921 7.1423 7.1467 9.1405 9.1422 11.4596 11.4598 12.4300 12.4395 k = 0.3925-0.3865 0.4766 ( 2084 PWs) bands (ev): -20.6319 -20.6319 -16.0630 -16.0630 -6.2707 -6.2693 -2.8579 -2.8575 -2.6492 -2.6473 -2.4433 -2.4427 1.5951 1.6077 1.8250 1.8349 2.0076 2.0248 2.2905 2.3110 2.7598 2.7600 3.1988 3.3107 3.6271 3.7157 3.8830 3.8867 7.1537 7.1574 9.1253 9.1268 11.4393 11.4394 12.4111 12.4190 k = 0.3981-0.3920 0.4651 ( 2090 PWs) bands (ev): -20.6322 -20.6322 -16.0638 -16.0638 -6.2729 -6.2716 -2.8573 -2.8570 -2.6498 -2.6482 -2.4350 -2.4345 1.5952 1.6057 1.8289 1.8373 2.0155 2.0299 2.2851 2.3019 2.7633 2.7634 3.2119 3.3093 3.6253 3.7033 3.8797 3.8822 7.1636 7.1667 9.1123 9.1135 11.4220 11.4221 12.3948 12.4013 k = 0.4037-0.3975 0.4535 ( 2094 PWs) bands (ev): -20.6325 -20.6325 -16.0644 -16.0644 -6.2746 -6.2736 -2.8568 -2.8565 -2.6503 -2.6490 -2.4280 -2.4277 1.5955 1.6039 1.8322 1.8390 2.0223 2.0338 2.2808 2.2942 2.7662 2.7665 3.2251 3.3060 3.6256 3.6910 3.8770 3.8786 7.1719 7.1743 9.1014 9.1024 11.4078 11.4078 12.3814 12.3865 k = 0.4093-0.4031 0.4420 ( 2088 PWs) bands (ev): -20.6327 -20.6327 -16.0650 -16.0650 -6.2759 -6.2752 -2.8564 -2.8562 -2.6507 -2.6497 -2.4225 -2.4223 1.5959 1.6022 1.8350 1.8402 2.0280 2.0367 2.2778 2.2878 2.7686 2.7689 3.2383 3.3007 3.6282 3.6790 3.8749 3.8760 7.1785 7.1803 9.0930 9.0937 11.3967 11.3967 12.3710 12.3748 k = 0.4149-0.4086 0.4304 ( 2094 PWs) bands (ev): -20.6328 -20.6328 -16.0653 -16.0653 -6.2768 -6.2763 -2.8562 -2.8560 -2.6509 -2.6503 -2.4185 -2.4184 1.5965 1.6006 1.8372 1.8407 2.0325 2.0382 2.2761 2.2827 2.7703 2.7705 3.2510 3.2935 3.6329 3.6676 3.8735 3.8741 7.1833 7.1846 9.0869 9.0874 11.3887 11.3887 12.3636 12.3661 k = 0.4206-0.4141 0.4188 ( 2096 PWs) bands (ev): -20.6329 -20.6329 -16.0656 -16.0656 -6.2773 -6.2771 -2.8560 -2.8559 -2.6510 -2.6507 -2.4161 -2.4160 1.5972 1.5993 1.8389 1.8406 2.0358 2.0386 2.2757 2.2790 2.7713 2.7714 3.2632 3.2847 3.6394 3.6570 3.8726 3.8729 7.1864 7.1870 9.0833 9.0836 11.3839 11.3839 12.3594 12.3607 k = 0.4262-0.4196 0.4073 ( 2096 PWs) bands (ev): -20.6329 -20.6329 -16.0656 -16.0656 -6.2774 -6.2774 -2.8559 -2.8559 -2.6509 -2.6509 -2.4153 -2.4153 1.5982 1.5982 1.8400 1.8400 2.0378 2.0378 2.2767 2.2767 2.7717 2.7717 3.2745 3.2745 3.6475 3.6475 3.8724 3.8724 7.1876 7.1876 9.0822 9.0822 11.3823 11.3823 12.3584 12.3584 k = 0.5738 0.4351 0.0706 ( 2096 PWs) bands (ev): -20.6329 -20.6329 -16.0656 -16.0656 -6.2774 -6.2774 -2.8559 -2.8559 -2.6509 -2.6509 -2.4153 -2.4153 1.5982 1.5982 1.8400 1.8400 2.0378 2.0378 2.2767 2.2767 2.7717 2.7717 3.2745 3.2745 3.6475 3.6475 3.8724 3.8724 7.1876 7.1876 9.0822 9.0822 11.3823 11.3823 12.3584 12.3584 k = 0.5656 0.4432 0.0627 ( 2096 PWs) bands (ev): -20.6325 -20.6325 -16.0670 -16.0670 -6.2737 -6.2737 -2.8546 -2.8546 -2.6366 -2.6366 -2.4162 -2.4162 1.5556 1.5556 1.8453 1.8453 2.0282 2.0283 2.2764 2.2764 2.7659 2.7659 3.2719 3.2719 3.6627 3.6627 3.8836 3.8836 7.1959 7.1959 9.1216 9.1216 11.3378 11.3378 12.4048 12.4048 k = 0.5574 0.4512 0.0549 ( 2092 PWs) bands (ev): -20.6322 -20.6322 -16.0683 -16.0683 -6.2702 -6.2702 -2.8535 -2.8535 -2.6236 -2.6236 -2.4169 -2.4169 1.5169 1.5169 1.8498 1.8498 2.0201 2.0201 2.2763 2.2763 2.7608 2.7608 3.2693 3.2693 3.6758 3.6758 3.8944 3.8944 7.2034 7.2034 9.1567 9.1567 11.2979 11.2979 12.4549 12.4549 k = 0.5492 0.4593 0.0470 ( 2088 PWs) bands (ev): -20.6319 -20.6319 -16.0693 -16.0693 -6.2671 -6.2671 -2.8525 -2.8525 -2.6120 -2.6120 -2.4175 -2.4175 1.4824 1.4824 1.8537 1.8537 2.0133 2.0133 2.2762 2.2762 2.7562 2.7562 3.2671 3.2671 3.6869 3.6869 3.9045 3.9045 7.2100 7.2100 9.1875 9.1875 11.2630 11.2630 12.5079 12.5079 k = 0.5410 0.4674 0.0392 ( 2084 PWs) bands (ev): -20.6317 -20.6317 -16.0702 -16.0702 -6.2644 -6.2644 -2.8517 -2.8517 -2.6019 -2.6019 -2.4180 -2.4180 1.4526 1.4526 1.8568 1.8568 2.0077 2.0077 2.2761 2.2761 2.7523 2.7523 3.2651 3.2651 3.6959 3.6959 3.9137 3.9137 7.2157 7.2157 9.2137 9.2137 11.2332 11.2332 12.5631 12.5631 k = 0.5328 0.4755 0.0314 ( 2090 PWs) bands (ev): -20.6315 -20.6315 -16.0710 -16.0710 -6.2621 -6.2621 -2.8511 -2.8511 -2.5934 -2.5934 -2.4185 -2.4185 1.4278 1.4278 1.8592 1.8592 2.0033 2.0033 2.2760 2.2760 2.7490 2.7490 3.2634 3.2634 3.7031 3.7031 3.9216 3.9216 7.2204 7.2204 9.2352 9.2352 11.2086 11.2086 12.6189 12.6189 k = 0.5246 0.4836 0.0235 ( 2090 PWs) bands (ev): -20.6313 -20.6313 -16.0716 -16.0716 -6.2602 -6.2602 -2.8506 -2.8506 -2.5867 -2.5867 -2.4188 -2.4188 1.4083 1.4083 1.8610 1.8610 1.9999 1.9999 2.2760 2.2760 2.7464 2.7464 3.2620 3.2620 3.7085 3.7085 3.9281 3.9281 7.2241 7.2241 9.2520 9.2520 11.1893 11.1893 12.6728 12.6728 k = 0.5164 0.4916 0.0157 ( 2086 PWs) bands (ev): -20.6312 -20.6312 -16.0720 -16.0720 -6.2589 -6.2589 -2.8503 -2.8503 -2.5819 -2.5819 -2.4190 -2.4190 1.3942 1.3942 1.8622 1.8622 1.9976 1.9976 2.2760 2.2760 2.7445 2.7445 3.2610 3.2610 3.7124 3.7124 3.9330 3.9330 7.2268 7.2268 9.2641 9.2641 11.1754 11.1754 12.7207 12.7207 k = 0.5082 0.4997 0.0078 ( 2090 PWs) bands (ev): -20.6311 -20.6311 -16.0722 -16.0722 -6.2581 -6.2581 -2.8501 -2.8501 -2.5790 -2.5790 -2.4191 -2.4191 1.3856 1.3856 1.8628 1.8628 1.9963 1.9963 2.2759 2.2759 2.7434 2.7434 3.2603 3.2603 3.7146 3.7146 3.9359 3.9359 7.2284 7.2284 9.2714 9.2714 11.1671 11.1671 12.7555 12.7555 k = 0.5000 0.5078-0.0000 ( 2090 PWs) bands (ev): -20.6311 -20.6311 -16.0723 -16.0723 -6.2578 -6.2578 -2.8500 -2.8500 -2.5780 -2.5780 -2.4192 -2.4192 1.3828 1.3828 1.8631 1.8631 1.9958 1.9958 2.2759 2.2759 2.7431 2.7431 3.2601 3.2601 3.7153 3.7153 3.9369 3.9369 7.2289 7.2289 9.2738 9.2738 11.1643 11.1643 12.7686 12.7686 Writing output data file AgNO2.save init_run : 3.68s CPU 12.18s WALL ( 1 calls) electrons : 301.01s CPU 306.37s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.84s CPU 1.98s WALL ( 1 calls) Called by electrons: c_bands : 300.98s CPU 305.90s WALL ( 1 calls) v_of_rho : 0.21s CPU 1.02s WALL ( 1 calls) v_h : 0.07s CPU 0.07s WALL ( 1 calls) v_xc : 0.13s CPU 0.63s WALL ( 1 calls) newd : 0.34s CPU 0.49s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.06s WALL ( 446 calls) cegterg : 274.59s CPU 276.93s WALL ( 678 calls) Called by sum_band: Called by *egterg: h_psi : 133.61s CPU 139.23s WALL ( 10988 calls) s_psi : 8.19s CPU 8.97s WALL ( 10988 calls) g_psi : 0.23s CPU 0.29s WALL ( 9864 calls) cdiaghg : 100.78s CPU 99.53s WALL ( 10310 calls) cegterg:over : 23.12s CPU 20.03s WALL ( 9864 calls) cegterg:upda : 1.94s CPU 4.16s WALL ( 9864 calls) cegterg:last : 2.29s CPU 3.08s WALL ( 2071 calls) Called by h_psi: h_psi:vloc : 114.77s CPU 120.08s WALL ( 10988 calls) h_psi:vnl : 18.78s CPU 18.87s WALL ( 10988 calls) add_vuspsi : 3.29s CPU 6.60s WALL ( 10988 calls) General routines calbec : 15.46s CPU 12.19s WALL ( 10988 calls) fft : 0.65s CPU 1.39s WALL ( 19 calls) ffts : 0.45s CPU 0.54s WALL ( 4 calls) fftw : 109.51s CPU 114.09s WALL ( 957340 calls) interpolate : 0.47s CPU 0.57s WALL ( 4 calls) davcio : 0.03s CPU 0.78s WALL ( 892 calls) Parallel routines fft_scatter : 75.45s CPU 78.73s WALL ( 957363 calls) PWSCF : 5m43.22s CPU 7m 1.43s WALL This run was terminated on: 17:49:35 8Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=