Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:27: 7 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./F2.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 22 14 4 572 276 47 Max 23 15 5 575 293 51 Sum 821 507 159 20641 10315 1767 bravais-lattice index = 14 lattice parameter (alat) = 6.0507 a.u. unit-cell volume = 216.6976 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 1 number of electrons = 14.00 number of Kohn-Sham states= 22 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 317.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.050695 celldm(2)= 1.000000 celldm(3)= 1.272545 celldm(4)= 0.417781 celldm(5)= 0.417781 celldm(6)= 0.475307 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.475307 0.879820 0.000000 ) a(3) = ( 0.531646 0.317054 1.111846 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.540233 -0.324112 ) b(2) = ( 0.000000 1.136596 -0.324112 ) b(3) = ( 0.000000 0.000000 0.899405 ) PseudoPot. # 1 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential F 7.00 18.99840 F( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 490 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020408 k( 2) = ( 0.0075758 0.0045179 -0.0049108), wk = 0.0020408 k( 3) = ( 0.0151515 0.0090358 -0.0098216), wk = 0.0020408 k( 4) = ( 0.0227273 0.0135537 -0.0147324), wk = 0.0020408 k( 5) = ( 0.0303030 0.0180716 -0.0196431), wk = 0.0020408 k( 6) = ( 0.0378788 0.0225895 -0.0245539), wk = 0.0020408 k( 7) = ( 0.0454546 0.0271074 -0.0294647), wk = 0.0020408 k( 8) = ( 0.0530303 0.0316253 -0.0343755), wk = 0.0020408 k( 9) = ( 0.0606061 0.0361433 -0.0392863), wk = 0.0020408 k( 10) = ( 0.0681818 0.0406612 -0.0441971), wk = 0.0020408 k( 11) = ( 0.0757576 0.0451791 -0.0491079), wk = 0.0020408 k( 12) = ( 0.0833333 0.0496970 -0.0540187), wk = 0.0020408 k( 13) = ( 0.0909091 0.0542149 -0.0589294), wk = 0.0020408 k( 14) = ( 0.0984848 0.0587328 -0.0638402), wk = 0.0020408 k( 15) = ( 0.1060606 0.0632507 -0.0687510), wk = 0.0020408 k( 16) = ( 0.1136364 0.0677686 -0.0736618), wk = 0.0020408 k( 17) = ( 0.1212121 0.0722865 -0.0785726), wk = 0.0020408 k( 18) = ( 0.1287879 0.0768044 -0.0834834), wk = 0.0020408 k( 19) = ( 0.1363636 0.0813223 -0.0883942), wk = 0.0020408 k( 20) = ( 0.1439394 0.0858402 -0.0933050), wk = 0.0020408 k( 21) = ( 0.1515151 0.0903581 -0.0982157), wk = 0.0020408 k( 22) = ( 0.1590909 0.0948760 -0.1031265), wk = 0.0020408 k( 23) = ( 0.1666667 0.0993939 -0.1080373), wk = 0.0020408 k( 24) = ( 0.1742424 0.1039118 -0.1129481), wk = 0.0020408 k( 25) = ( 0.1818182 0.1084298 -0.1178589), wk = 0.0020408 k( 26) = ( 0.1893939 0.1129477 -0.1227697), wk = 0.0020408 k( 27) = ( 0.1969697 0.1174656 -0.1276805), wk = 0.0020408 k( 28) = ( 0.2045454 0.1219835 -0.1325913), wk = 0.0020408 k( 29) = ( 0.2121212 0.1265014 -0.1375020), wk = 0.0020408 k( 30) = ( 0.2196970 0.1310193 -0.1424128), wk = 0.0020408 k( 31) = ( 0.2272727 0.1355372 -0.1473236), wk = 0.0020408 k( 32) = ( 0.2348485 0.1400551 -0.1522344), wk = 0.0020408 k( 33) = ( 0.2424242 0.1445730 -0.1571452), wk = 0.0020408 k( 34) = ( 0.2500000 0.1490909 -0.1620560), wk = 0.0020408 k( 35) = ( 0.2575758 0.1536088 -0.1669668), wk = 0.0020408 k( 36) = ( 0.2651515 0.1581267 -0.1718776), wk = 0.0020408 k( 37) = ( 0.2727273 0.1626446 -0.1767883), wk = 0.0020408 k( 38) = ( 0.2803030 0.1671625 -0.1816991), wk = 0.0020408 k( 39) = ( 0.2878788 0.1716804 -0.1866099), wk = 0.0020408 k( 40) = ( 0.2954545 0.1761983 -0.1915207), wk = 0.0020408 k( 41) = ( 0.3030303 0.1807163 -0.1964315), wk = 0.0020408 k( 42) = ( 0.3106061 0.1852342 -0.2013423), wk = 0.0020408 k( 43) = ( 0.3181818 0.1897521 -0.2062531), wk = 0.0020408 k( 44) = ( 0.3257576 0.1942700 -0.2111639), wk = 0.0020408 k( 45) = ( 0.3333333 0.1987879 -0.2160746), wk = 0.0020408 k( 46) = ( 0.3409091 0.2033058 -0.2209854), wk = 0.0020408 k( 47) = ( 0.3484849 0.2078237 -0.2258962), wk = 0.0020408 k( 48) = ( 0.3560606 0.2123416 -0.2308070), wk = 0.0020408 k( 49) = ( 0.3636364 0.2168595 -0.2357178), wk = 0.0020408 k( 50) = ( 0.3712121 0.2213774 -0.2406286), wk = 0.0020408 k( 51) = ( 0.3787879 0.2258953 -0.2455394), wk = 0.0020408 k( 52) = ( 0.3863636 0.2304132 -0.2504502), wk = 0.0020408 k( 53) = ( 0.3939394 0.2349311 -0.2553609), wk = 0.0020408 k( 54) = ( 0.4015151 0.2394490 -0.2602717), wk = 0.0020408 k( 55) = ( 0.4090909 0.2439669 -0.2651825), wk = 0.0020408 k( 56) = ( 0.4166667 0.2484849 -0.2700933), wk = 0.0020408 k( 57) = ( 0.4242424 0.2530028 -0.2750041), wk = 0.0020408 k( 58) = ( 0.4318182 0.2575207 -0.2799149), wk = 0.0020408 k( 59) = ( 0.4393939 0.2620386 -0.2848257), wk = 0.0020408 k( 60) = ( 0.4469697 0.2665565 -0.2897365), wk = 0.0020408 k( 61) = ( 0.4545455 0.2710744 -0.2946472), wk = 0.0020408 k( 62) = ( 0.4621212 0.2755923 -0.2995580), wk = 0.0020408 k( 63) = ( 0.4696970 0.2801102 -0.3044688), wk = 0.0020408 k( 64) = ( 0.4772727 0.2846281 -0.3093796), wk = 0.0020408 k( 65) = ( 0.4848485 0.2891460 -0.3142904), wk = 0.0020408 k( 66) = ( 0.4924242 0.2936639 -0.3192012), wk = 0.0020408 k( 67) = ( 0.5000000 0.2981818 -0.3241120), wk = 0.0020408 k( 68) = ( 0.5000000 0.2981818 -0.3241120), wk = 0.0020408 k( 69) = ( 0.5040035 0.3005694 -0.3157393), wk = 0.0020408 k( 70) = ( 0.5080071 0.3029569 -0.3073665), wk = 0.0020408 k( 71) = ( 0.5120106 0.3053445 -0.2989938), wk = 0.0020408 k( 72) = ( 0.5160141 0.3077321 -0.2906211), wk = 0.0020408 k( 73) = ( 0.5200177 0.3101196 -0.2822484), wk = 0.0020408 k( 74) = ( 0.5240212 0.3125072 -0.2738757), wk = 0.0020408 k( 75) = ( 0.5280248 0.3148948 -0.2655030), wk = 0.0020408 k( 76) = ( 0.5320283 0.3172823 -0.2571303), wk = 0.0020408 k( 77) = ( 0.5360318 0.3196699 -0.2487576), wk = 0.0020408 k( 78) = ( 0.5400354 0.3220574 -0.2403849), wk = 0.0020408 k( 79) = ( 0.5440389 0.3244450 -0.2320121), wk = 0.0020408 k( 80) = ( 0.5480424 0.3268326 -0.2236394), wk = 0.0020408 k( 81) = ( 0.5520460 0.3292201 -0.2152667), wk = 0.0020408 k( 82) = ( 0.5560495 0.3316077 -0.2068940), wk = 0.0020408 k( 83) = ( 0.5600530 0.3339953 -0.1985213), wk = 0.0020408 k( 84) = ( 0.5600530 0.3339953 -0.1985213), wk = 0.0020408 k( 85) = ( 0.5582332 0.3329100 -0.1886997), wk = 0.0020408 k( 86) = ( 0.5564134 0.3318247 -0.1788782), wk = 0.0020408 k( 87) = ( 0.5545937 0.3307395 -0.1690566), wk = 0.0020408 k( 88) = ( 0.5527739 0.3296542 -0.1592350), wk = 0.0020408 k( 89) = ( 0.5509541 0.3285690 -0.1494134), wk = 0.0020408 k( 90) = ( 0.5491343 0.3274837 -0.1395919), wk = 0.0020408 k( 91) = ( 0.5473145 0.3263985 -0.1297703), wk = 0.0020408 k( 92) = ( 0.5454947 0.3253132 -0.1199487), wk = 0.0020408 k( 93) = ( 0.5436749 0.3242280 -0.1101271), wk = 0.0020408 k( 94) = ( 0.5418551 0.3231427 -0.1003056), wk = 0.0020408 k( 95) = ( 0.5400354 0.3220574 -0.0904840), wk = 0.0020408 k( 96) = ( 0.5382156 0.3209722 -0.0806624), wk = 0.0020408 k( 97) = ( 0.5363958 0.3198869 -0.0708408), wk = 0.0020408 k( 98) = ( 0.5345760 0.3188017 -0.0610193), wk = 0.0020408 k( 99) = ( 0.5327562 0.3177164 -0.0511977), wk = 0.0020408 k( 100) = ( 0.5309364 0.3166312 -0.0413761), wk = 0.0020408 k( 101) = ( 0.5291166 0.3155459 -0.0315545), wk = 0.0020408 k( 102) = ( 0.5272968 0.3144607 -0.0217330), wk = 0.0020408 k( 103) = ( 0.5254770 0.3133754 -0.0119114), wk = 0.0020408 k( 104) = ( 0.5236572 0.3122901 -0.0020898), wk = 0.0020408 k( 105) = ( 0.5218375 0.3112049 0.0077318), wk = 0.0020408 k( 106) = ( 0.5200177 0.3101196 0.0175533), wk = 0.0020408 k( 107) = ( 0.5181979 0.3090344 0.0273749), wk = 0.0020408 k( 108) = ( 0.5163781 0.3079491 0.0371965), wk = 0.0020408 k( 109) = ( 0.5145583 0.3068639 0.0470181), wk = 0.0020408 k( 110) = ( 0.5127385 0.3057786 0.0568396), wk = 0.0020408 k( 111) = ( 0.5109187 0.3046934 0.0666612), wk = 0.0020408 k( 112) = ( 0.5090989 0.3036081 0.0764828), wk = 0.0020408 k( 113) = ( 0.5072792 0.3025228 0.0863044), wk = 0.0020408 k( 114) = ( 0.5054594 0.3014376 0.0961259), wk = 0.0020408 k( 115) = ( 0.5036396 0.3003523 0.1059475), wk = 0.0020408 k( 116) = ( 0.5018198 0.2992671 0.1157691), wk = 0.0020408 k( 117) = ( 0.5000000 0.2981818 0.1255907), wk = 0.0020408 k( 118) = ( 0.5000000 0.2981818 0.1255907), wk = 0.0020408 k( 119) = ( 0.5051221 0.2895930 0.1255907), wk = 0.0020408 k( 120) = ( 0.5102441 0.2810042 0.1255907), wk = 0.0020408 k( 121) = ( 0.5153662 0.2724153 0.1255907), wk = 0.0020408 k( 122) = ( 0.5204882 0.2638265 0.1255907), wk = 0.0020408 k( 123) = ( 0.5256103 0.2552377 0.1255907), wk = 0.0020408 k( 124) = ( 0.5307324 0.2466489 0.1255907), wk = 0.0020408 k( 125) = ( 0.5358544 0.2380601 0.1255907), wk = 0.0020408 k( 126) = ( 0.5409765 0.2294712 0.1255907), wk = 0.0020408 k( 127) = ( 0.5460986 0.2208824 0.1255907), wk = 0.0020408 k( 128) = ( 0.5512206 0.2122936 0.1255907), wk = 0.0020408 k( 129) = ( 0.5563427 0.2037048 0.1255907), wk = 0.0020408 k( 130) = ( 0.5614647 0.1951159 0.1255907), wk = 0.0020408 k( 131) = ( 0.5665868 0.1865271 0.1255907), wk = 0.0020408 k( 132) = ( 0.5717089 0.1779383 0.1255907), wk = 0.0020408 k( 133) = ( 0.5768309 0.1693495 0.1255907), wk = 0.0020408 k( 134) = ( 0.5819530 0.1607606 0.1255907), wk = 0.0020408 k( 135) = ( 0.5870751 0.1521718 0.1255907), wk = 0.0020408 k( 136) = ( 0.5921971 0.1435830 0.1255907), wk = 0.0020408 k( 137) = ( 0.5973192 0.1349942 0.1255907), wk = 0.0020408 k( 138) = ( 0.6024412 0.1264053 0.1255907), wk = 0.0020408 k( 139) = ( 0.6075633 0.1178165 0.1255907), wk = 0.0020408 k( 140) = ( 0.6126854 0.1092277 0.1255907), wk = 0.0020408 k( 141) = ( 0.6178074 0.1006389 0.1255907), wk = 0.0020408 k( 142) = ( 0.6229295 0.0920501 0.1255907), wk = 0.0020408 k( 143) = ( 0.6280516 0.0834612 0.1255907), wk = 0.0020408 k( 144) = ( 0.6331736 0.0748724 0.1255907), wk = 0.0020408 k( 145) = ( 0.6382957 0.0662836 0.1255907), wk = 0.0020408 k( 146) = ( 0.6434177 0.0576948 0.1255907), wk = 0.0020408 k( 147) = ( 0.6485398 0.0491060 0.1255907), wk = 0.0020408 k( 148) = ( 0.6536619 0.0405171 0.1255907), wk = 0.0020408 k( 149) = ( 0.6587839 0.0319283 0.1255907), wk = 0.0020408 k( 150) = ( 0.6639060 0.0233395 0.1255907), wk = 0.0020408 k( 151) = ( 0.6690280 0.0147507 0.1255907), wk = 0.0020408 k( 152) = ( 0.6741501 0.0061618 0.1255907), wk = 0.0020408 k( 153) = ( 0.6792722 -0.0024270 0.1255907), wk = 0.0020408 k( 154) = ( 0.6843942 -0.0110158 0.1255907), wk = 0.0020408 k( 155) = ( 0.6895163 -0.0196046 0.1255907), wk = 0.0020408 k( 156) = ( 0.6946383 -0.0281935 0.1255907), wk = 0.0020408 k( 157) = ( 0.6997604 -0.0367823 0.1255907), wk = 0.0020408 k( 158) = ( 0.7048825 -0.0453711 0.1255907), wk = 0.0020408 k( 159) = ( 0.7100045 -0.0539599 0.1255907), wk = 0.0020408 k( 160) = ( 0.2899955 -0.4862729 0.4497026), wk = 0.0020408 k( 161) = ( 0.2848170 -0.4775894 0.4497026), wk = 0.0020408 k( 162) = ( 0.2796385 -0.4689060 0.4497026), wk = 0.0020408 k( 163) = ( 0.2744600 -0.4602225 0.4497026), wk = 0.0020408 k( 164) = ( 0.2692815 -0.4515391 0.4497026), wk = 0.0020408 k( 165) = ( 0.2641030 -0.4428557 0.4497026), wk = 0.0020408 k( 166) = ( 0.2589245 -0.4341722 0.4497026), wk = 0.0020408 k( 167) = ( 0.2537460 -0.4254888 0.4497026), wk = 0.0020408 k( 168) = ( 0.2485675 -0.4168053 0.4497026), wk = 0.0020408 k( 169) = ( 0.2433890 -0.4081219 0.4497026), wk = 0.0020408 k( 170) = ( 0.2382106 -0.3994384 0.4497026), wk = 0.0020408 k( 171) = ( 0.2330321 -0.3907550 0.4497026), wk = 0.0020408 k( 172) = ( 0.2278536 -0.3820716 0.4497026), wk = 0.0020408 k( 173) = ( 0.2226751 -0.3733881 0.4497026), wk = 0.0020408 k( 174) = ( 0.2174966 -0.3647047 0.4497026), wk = 0.0020408 k( 175) = ( 0.2123181 -0.3560212 0.4497026), wk = 0.0020408 k( 176) = ( 0.2071396 -0.3473378 0.4497026), wk = 0.0020408 k( 177) = ( 0.2019611 -0.3386543 0.4497026), wk = 0.0020408 k( 178) = ( 0.1967826 -0.3299709 0.4497026), wk = 0.0020408 k( 179) = ( 0.1916042 -0.3212874 0.4497026), wk = 0.0020408 k( 180) = ( 0.1864257 -0.3126040 0.4497026), wk = 0.0020408 k( 181) = ( 0.1812472 -0.3039206 0.4497026), wk = 0.0020408 k( 182) = ( 0.1760687 -0.2952371 0.4497026), wk = 0.0020408 k( 183) = ( 0.1708902 -0.2865537 0.4497026), wk = 0.0020408 k( 184) = ( 0.1657117 -0.2778702 0.4497026), wk = 0.0020408 k( 185) = ( 0.1605332 -0.2691868 0.4497026), wk = 0.0020408 k( 186) = ( 0.1553547 -0.2605033 0.4497026), wk = 0.0020408 k( 187) = ( 0.1501762 -0.2518199 0.4497026), wk = 0.0020408 k( 188) = ( 0.1449977 -0.2431364 0.4497026), wk = 0.0020408 k( 189) = ( 0.1398192 -0.2344530 0.4497026), wk = 0.0020408 k( 190) = ( 0.1346408 -0.2257696 0.4497026), wk = 0.0020408 k( 191) = ( 0.1294623 -0.2170861 0.4497026), wk = 0.0020408 k( 192) = ( 0.1242838 -0.2084027 0.4497026), wk = 0.0020408 k( 193) = ( 0.1191053 -0.1997192 0.4497026), wk = 0.0020408 k( 194) = ( 0.1139268 -0.1910358 0.4497026), wk = 0.0020408 k( 195) = ( 0.1087483 -0.1823523 0.4497026), wk = 0.0020408 k( 196) = ( 0.1035698 -0.1736689 0.4497026), wk = 0.0020408 k( 197) = ( 0.0983913 -0.1649854 0.4497026), wk = 0.0020408 k( 198) = ( 0.0932128 -0.1563020 0.4497026), wk = 0.0020408 k( 199) = ( 0.0880343 -0.1476186 0.4497026), wk = 0.0020408 k( 200) = ( 0.0828558 -0.1389351 0.4497026), wk = 0.0020408 k( 201) = ( 0.0776774 -0.1302517 0.4497026), wk = 0.0020408 k( 202) = ( 0.0724989 -0.1215682 0.4497026), wk = 0.0020408 k( 203) = ( 0.0673204 -0.1128848 0.4497026), wk = 0.0020408 k( 204) = ( 0.0621419 -0.1042013 0.4497026), wk = 0.0020408 k( 205) = ( 0.0569634 -0.0955179 0.4497026), wk = 0.0020408 k( 206) = ( 0.0517849 -0.0868344 0.4497026), wk = 0.0020408 k( 207) = ( 0.0466064 -0.0781510 0.4497026), wk = 0.0020408 k( 208) = ( 0.0414279 -0.0694675 0.4497026), wk = 0.0020408 k( 209) = ( 0.0362494 -0.0607841 0.4497026), wk = 0.0020408 k( 210) = ( 0.0310709 -0.0521007 0.4497026), wk = 0.0020408 k( 211) = ( 0.0258925 -0.0434172 0.4497026), wk = 0.0020408 k( 212) = ( 0.0207140 -0.0347338 0.4497026), wk = 0.0020408 k( 213) = ( 0.0155355 -0.0260503 0.4497026), wk = 0.0020408 k( 214) = ( 0.0103570 -0.0173669 0.4497026), wk = 0.0020408 k( 215) = ( 0.0051785 -0.0086834 0.4497026), wk = 0.0020408 k( 216) = ( 0.0000000 0.0000000 0.4497026), wk = 0.0020408 k( 217) = ( 0.0000000 0.0000000 0.4497026), wk = 0.0020408 k( 218) = ( 0.0086264 0.0051445 0.4497026), wk = 0.0020408 k( 219) = ( 0.0172528 0.0102890 0.4497026), wk = 0.0020408 k( 220) = ( 0.0258792 0.0154334 0.4497026), wk = 0.0020408 k( 221) = ( 0.0345056 0.0205779 0.4497026), wk = 0.0020408 k( 222) = ( 0.0431321 0.0257224 0.4497026), wk = 0.0020408 k( 223) = ( 0.0517585 0.0308669 0.4497026), wk = 0.0020408 k( 224) = ( 0.0603849 0.0360113 0.4497026), wk = 0.0020408 k( 225) = ( 0.0690113 0.0411558 0.4497026), wk = 0.0020408 k( 226) = ( 0.0776377 0.0463003 0.4497026), wk = 0.0020408 k( 227) = ( 0.0862641 0.0514448 0.4497026), wk = 0.0020408 k( 228) = ( 0.0948905 0.0565893 0.4497026), wk = 0.0020408 k( 229) = ( 0.1035169 0.0617337 0.4497026), wk = 0.0020408 k( 230) = ( 0.1121433 0.0668782 0.4497026), wk = 0.0020408 k( 231) = ( 0.1207698 0.0720227 0.4497026), wk = 0.0020408 k( 232) = ( 0.1293962 0.0771672 0.4497026), wk = 0.0020408 k( 233) = ( 0.1380226 0.0823116 0.4497026), wk = 0.0020408 k( 234) = ( 0.1466490 0.0874561 0.4497026), wk = 0.0020408 k( 235) = ( 0.1552754 0.0926006 0.4497026), wk = 0.0020408 k( 236) = ( 0.1639018 0.0977451 0.4497026), wk = 0.0020408 k( 237) = ( 0.1725282 0.1028896 0.4497026), wk = 0.0020408 k( 238) = ( 0.1811546 0.1080340 0.4497026), wk = 0.0020408 k( 239) = ( 0.1897811 0.1131785 0.4497026), wk = 0.0020408 k( 240) = ( 0.1984075 0.1183230 0.4497026), wk = 0.0020408 k( 241) = ( 0.2070339 0.1234675 0.4497026), wk = 0.0020408 k( 242) = ( 0.2156603 0.1286119 0.4497026), wk = 0.0020408 k( 243) = ( 0.2242867 0.1337564 0.4497026), wk = 0.0020408 k( 244) = ( 0.2329131 0.1389009 0.4497026), wk = 0.0020408 k( 245) = ( 0.2415395 0.1440454 0.4497026), wk = 0.0020408 k( 246) = ( 0.2501659 0.1491899 0.4497026), wk = 0.0020408 k( 247) = ( 0.2587923 0.1543343 0.4497026), wk = 0.0020408 k( 248) = ( 0.2674187 0.1594788 0.4497026), wk = 0.0020408 k( 249) = ( 0.2760452 0.1646233 0.4497026), wk = 0.0020408 k( 250) = ( 0.2846716 0.1697678 0.4497026), wk = 0.0020408 k( 251) = ( 0.2932980 0.1749122 0.4497026), wk = 0.0020408 k( 252) = ( 0.3019244 0.1800567 0.4497026), wk = 0.0020408 k( 253) = ( 0.3105508 0.1852012 0.4497026), wk = 0.0020408 k( 254) = ( 0.3191772 0.1903457 0.4497026), wk = 0.0020408 k( 255) = ( 0.3278036 0.1954902 0.4497026), wk = 0.0020408 k( 256) = ( 0.3364300 0.2006346 0.4497026), wk = 0.0020408 k( 257) = ( 0.3450565 0.2057791 0.4497026), wk = 0.0020408 k( 258) = ( 0.3536829 0.2109236 0.4497026), wk = 0.0020408 k( 259) = ( 0.3623093 0.2160681 0.4497026), wk = 0.0020408 k( 260) = ( 0.3709357 0.2212126 0.4497026), wk = 0.0020408 k( 261) = ( 0.3795621 0.2263570 0.4497026), wk = 0.0020408 k( 262) = ( 0.3881885 0.2315015 0.4497026), wk = 0.0020408 k( 263) = ( 0.3968149 0.2366460 0.4497026), wk = 0.0020408 k( 264) = ( 0.4054413 0.2417905 0.4497026), wk = 0.0020408 k( 265) = ( 0.4140677 0.2469349 0.4497026), wk = 0.0020408 k( 266) = ( 0.4226941 0.2520794 0.4497026), wk = 0.0020408 k( 267) = ( 0.4313206 0.2572239 0.4497026), wk = 0.0020408 k( 268) = ( 0.4399470 0.2623684 0.4497026), wk = 0.0020408 k( 269) = ( 0.5000000 0.2981818 -0.3241120), wk = 0.0020408 k( 270) = ( 0.5051357 0.2895701 -0.3241120), wk = 0.0020408 k( 271) = ( 0.5102714 0.2809584 -0.3241120), wk = 0.0020408 k( 272) = ( 0.5154071 0.2723467 -0.3241120), wk = 0.0020408 k( 273) = ( 0.5205429 0.2637350 -0.3241120), wk = 0.0020408 k( 274) = ( 0.5256786 0.2551233 -0.3241120), wk = 0.0020408 k( 275) = ( 0.5308143 0.2465115 -0.3241120), wk = 0.0020408 k( 276) = ( 0.5359500 0.2378998 -0.3241120), wk = 0.0020408 k( 277) = ( 0.5410857 0.2292881 -0.3241120), wk = 0.0020408 k( 278) = ( 0.5462214 0.2206764 -0.3241120), wk = 0.0020408 k( 279) = ( 0.5513571 0.2120647 -0.3241120), wk = 0.0020408 k( 280) = ( 0.5564928 0.2034530 -0.3241120), wk = 0.0020408 k( 281) = ( 0.5616285 0.1948413 -0.3241120), wk = 0.0020408 k( 282) = ( 0.5667642 0.1862296 -0.3241120), wk = 0.0020408 k( 283) = ( 0.5719000 0.1776178 -0.3241120), wk = 0.0020408 k( 284) = ( 0.5770357 0.1690061 -0.3241120), wk = 0.0020408 k( 285) = ( 0.5821714 0.1603944 -0.3241120), wk = 0.0020408 k( 286) = ( 0.5873071 0.1517827 -0.3241120), wk = 0.0020408 k( 287) = ( 0.5924428 0.1431710 -0.3241120), wk = 0.0020408 k( 288) = ( 0.5975785 0.1345593 -0.3241120), wk = 0.0020408 k( 289) = ( 0.6027142 0.1259476 -0.3241120), wk = 0.0020408 k( 290) = ( 0.6078499 0.1173359 -0.3241120), wk = 0.0020408 k( 291) = ( 0.6129857 0.1087242 -0.3241120), wk = 0.0020408 k( 292) = ( 0.6181214 0.1001124 -0.3241120), wk = 0.0020408 k( 293) = ( 0.6232571 0.0915007 -0.3241120), wk = 0.0020408 k( 294) = ( 0.6283928 0.0828890 -0.3241120), wk = 0.0020408 k( 295) = ( 0.6335285 0.0742773 -0.3241120), wk = 0.0020408 k( 296) = ( 0.3664715 -0.6145101 -0.0000000), wk = 0.0020408 k( 297) = ( 0.3613099 -0.6058550 -0.0000000), wk = 0.0020408 k( 298) = ( 0.3561484 -0.5972000 -0.0000000), wk = 0.0020408 k( 299) = ( 0.3509868 -0.5885449 -0.0000000), wk = 0.0020408 k( 300) = ( 0.3458252 -0.5798898 -0.0000000), wk = 0.0020408 k( 301) = ( 0.3406636 -0.5712348 -0.0000000), wk = 0.0020408 k( 302) = ( 0.3355021 -0.5625797 -0.0000000), wk = 0.0020408 k( 303) = ( 0.3303405 -0.5539246 -0.0000000), wk = 0.0020408 k( 304) = ( 0.3251789 -0.5452695 -0.0000000), wk = 0.0020408 k( 305) = ( 0.3200174 -0.5366145 -0.0000000), wk = 0.0020408 k( 306) = ( 0.3148558 -0.5279594 -0.0000000), wk = 0.0020408 k( 307) = ( 0.3096942 -0.5193043 -0.0000000), wk = 0.0020408 k( 308) = ( 0.3045327 -0.5106493 -0.0000000), wk = 0.0020408 k( 309) = ( 0.2993711 -0.5019942 -0.0000000), wk = 0.0020408 k( 310) = ( 0.2942095 -0.4933391 -0.0000000), wk = 0.0020408 k( 311) = ( 0.2890479 -0.4846840 -0.0000000), wk = 0.0020408 k( 312) = ( 0.2838864 -0.4760290 -0.0000000), wk = 0.0020408 k( 313) = ( 0.2787248 -0.4673739 -0.0000000), wk = 0.0020408 k( 314) = ( 0.2735632 -0.4587188 -0.0000000), wk = 0.0020408 k( 315) = ( 0.2684017 -0.4500638 -0.0000000), wk = 0.0020408 k( 316) = ( 0.2632401 -0.4414087 -0.0000000), wk = 0.0020408 k( 317) = ( 0.2580785 -0.4327536 -0.0000000), wk = 0.0020408 k( 318) = ( 0.2529169 -0.4240985 -0.0000000), wk = 0.0020408 k( 319) = ( 0.2477554 -0.4154435 -0.0000000), wk = 0.0020408 k( 320) = ( 0.2425938 -0.4067884 -0.0000000), wk = 0.0020408 k( 321) = ( 0.2374322 -0.3981333 -0.0000000), wk = 0.0020408 k( 322) = ( 0.2322707 -0.3894782 -0.0000000), wk = 0.0020408 k( 323) = ( 0.2271091 -0.3808232 -0.0000000), wk = 0.0020408 k( 324) = ( 0.2219475 -0.3721681 -0.0000000), wk = 0.0020408 k( 325) = ( 0.2167860 -0.3635130 -0.0000000), wk = 0.0020408 k( 326) = ( 0.2116244 -0.3548580 -0.0000000), wk = 0.0020408 k( 327) = ( 0.2064628 -0.3462029 -0.0000000), wk = 0.0020408 k( 328) = ( 0.2013012 -0.3375478 -0.0000000), wk = 0.0020408 k( 329) = ( 0.1961397 -0.3288927 -0.0000000), wk = 0.0020408 k( 330) = ( 0.1909781 -0.3202377 -0.0000000), wk = 0.0020408 k( 331) = ( 0.1858165 -0.3115826 -0.0000000), wk = 0.0020408 k( 332) = ( 0.1806550 -0.3029275 -0.0000000), wk = 0.0020408 k( 333) = ( 0.1754934 -0.2942725 -0.0000000), wk = 0.0020408 k( 334) = ( 0.1703318 -0.2856174 -0.0000000), wk = 0.0020408 k( 335) = ( 0.1651702 -0.2769623 -0.0000000), wk = 0.0020408 k( 336) = ( 0.1600087 -0.2683072 -0.0000000), wk = 0.0020408 k( 337) = ( 0.1548471 -0.2596522 -0.0000000), wk = 0.0020408 k( 338) = ( 0.1496855 -0.2509971 -0.0000000), wk = 0.0020408 k( 339) = ( 0.1445240 -0.2423420 -0.0000000), wk = 0.0020408 k( 340) = ( 0.1393624 -0.2336870 -0.0000000), wk = 0.0020408 k( 341) = ( 0.1342008 -0.2250319 -0.0000000), wk = 0.0020408 k( 342) = ( 0.1290393 -0.2163768 -0.0000000), wk = 0.0020408 k( 343) = ( 0.1238777 -0.2077217 -0.0000000), wk = 0.0020408 k( 344) = ( 0.1187161 -0.1990667 -0.0000000), wk = 0.0020408 k( 345) = ( 0.1135546 -0.1904116 -0.0000000), wk = 0.0020408 k( 346) = ( 0.1083930 -0.1817565 -0.0000000), wk = 0.0020408 k( 347) = ( 0.1032314 -0.1731014 -0.0000000), wk = 0.0020408 k( 348) = ( 0.0980698 -0.1644464 -0.0000000), wk = 0.0020408 k( 349) = ( 0.0929083 -0.1557913 -0.0000000), wk = 0.0020408 k( 350) = ( 0.0877467 -0.1471362 -0.0000000), wk = 0.0020408 k( 351) = ( 0.0825851 -0.1384812 -0.0000000), wk = 0.0020408 k( 352) = ( 0.0774235 -0.1298261 -0.0000000), wk = 0.0020408 k( 353) = ( 0.0722620 -0.1211710 -0.0000000), wk = 0.0020408 k( 354) = ( 0.0671004 -0.1125159 -0.0000000), wk = 0.0020408 k( 355) = ( 0.0619388 -0.1038609 -0.0000000), wk = 0.0020408 k( 356) = ( 0.0567773 -0.0952058 -0.0000000), wk = 0.0020408 k( 357) = ( 0.0516157 -0.0865507 -0.0000000), wk = 0.0020408 k( 358) = ( 0.0464541 -0.0778956 -0.0000000), wk = 0.0020408 k( 359) = ( 0.0412926 -0.0692406 -0.0000000), wk = 0.0020408 k( 360) = ( 0.0361310 -0.0605855 -0.0000000), wk = 0.0020408 k( 361) = ( 0.0309694 -0.0519304 -0.0000000), wk = 0.0020408 k( 362) = ( 0.0258079 -0.0432754 -0.0000000), wk = 0.0020408 k( 363) = ( 0.0206463 -0.0346203 -0.0000000), wk = 0.0020408 k( 364) = ( 0.0154847 -0.0259652 -0.0000000), wk = 0.0020408 k( 365) = ( 0.0103231 -0.0173101 -0.0000000), wk = 0.0020408 k( 366) = ( 0.0051616 -0.0086551 -0.0000000), wk = 0.0020408 k( 367) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020408 k( 368) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020408 k( 369) = ( 0.0086207 -0.0046572 -0.0027941), wk = 0.0020408 k( 370) = ( 0.0172414 -0.0093144 -0.0055881), wk = 0.0020408 k( 371) = ( 0.0258621 -0.0139715 -0.0083822), wk = 0.0020408 k( 372) = ( 0.0344828 -0.0186287 -0.0111763), wk = 0.0020408 k( 373) = ( 0.0431035 -0.0232859 -0.0139703), wk = 0.0020408 k( 374) = ( 0.0517241 -0.0279431 -0.0167644), wk = 0.0020408 k( 375) = ( 0.0603448 -0.0326003 -0.0195585), wk = 0.0020408 k( 376) = ( 0.0689655 -0.0372574 -0.0223525), wk = 0.0020408 k( 377) = ( 0.0775862 -0.0419146 -0.0251466), wk = 0.0020408 k( 378) = ( 0.0862069 -0.0465718 -0.0279407), wk = 0.0020408 k( 379) = ( 0.0948276 -0.0512290 -0.0307348), wk = 0.0020408 k( 380) = ( 0.1034483 -0.0558862 -0.0335288), wk = 0.0020408 k( 381) = ( 0.1120690 -0.0605433 -0.0363229), wk = 0.0020408 k( 382) = ( 0.1206897 -0.0652005 -0.0391170), wk = 0.0020408 k( 383) = ( 0.1293103 -0.0698577 -0.0419110), wk = 0.0020408 k( 384) = ( 0.1379310 -0.0745149 -0.0447051), wk = 0.0020408 k( 385) = ( 0.1465517 -0.0791720 -0.0474992), wk = 0.0020408 k( 386) = ( 0.1551724 -0.0838292 -0.0502932), wk = 0.0020408 k( 387) = ( 0.1637931 -0.0884864 -0.0530873), wk = 0.0020408 k( 388) = ( 0.1724138 -0.0931436 -0.0558814), wk = 0.0020408 k( 389) = ( 0.1810345 -0.0978008 -0.0586754), wk = 0.0020408 k( 390) = ( 0.1896552 -0.1024579 -0.0614695), wk = 0.0020408 k( 391) = ( 0.1982759 -0.1071151 -0.0642636), wk = 0.0020408 k( 392) = ( 0.2068966 -0.1117723 -0.0670576), wk = 0.0020408 k( 393) = ( 0.2155172 -0.1164295 -0.0698517), wk = 0.0020408 k( 394) = ( 0.2241379 -0.1210867 -0.0726458), wk = 0.0020408 k( 395) = ( 0.2327586 -0.1257438 -0.0754399), wk = 0.0020408 k( 396) = ( 0.2413793 -0.1304010 -0.0782339), wk = 0.0020408 k( 397) = ( 0.2500000 -0.1350582 -0.0810280), wk = 0.0020408 k( 398) = ( 0.2586207 -0.1397154 -0.0838221), wk = 0.0020408 k( 399) = ( 0.2672414 -0.1443726 -0.0866161), wk = 0.0020408 k( 400) = ( 0.2758621 -0.1490297 -0.0894102), wk = 0.0020408 k( 401) = ( 0.2844828 -0.1536869 -0.0922043), wk = 0.0020408 k( 402) = ( 0.2931034 -0.1583441 -0.0949983), wk = 0.0020408 k( 403) = ( 0.3017241 -0.1630013 -0.0977924), wk = 0.0020408 k( 404) = ( 0.3103448 -0.1676585 -0.1005865), wk = 0.0020408 k( 405) = ( 0.3189655 -0.1723156 -0.1033805), wk = 0.0020408 k( 406) = ( 0.3275862 -0.1769728 -0.1061746), wk = 0.0020408 k( 407) = ( 0.3362069 -0.1816300 -0.1089687), wk = 0.0020408 k( 408) = ( 0.3448276 -0.1862872 -0.1117627), wk = 0.0020408 k( 409) = ( 0.3534483 -0.1909444 -0.1145568), wk = 0.0020408 k( 410) = ( 0.3620690 -0.1956015 -0.1173509), wk = 0.0020408 k( 411) = ( 0.3706897 -0.2002587 -0.1201450), wk = 0.0020408 k( 412) = ( 0.3793103 -0.2049159 -0.1229390), wk = 0.0020408 k( 413) = ( 0.3879310 -0.2095731 -0.1257331), wk = 0.0020408 k( 414) = ( 0.3965517 -0.2142303 -0.1285272), wk = 0.0020408 k( 415) = ( 0.4051724 -0.2188874 -0.1313212), wk = 0.0020408 k( 416) = ( 0.4137931 -0.2235446 -0.1341153), wk = 0.0020408 k( 417) = ( 0.4224138 -0.2282018 -0.1369094), wk = 0.0020408 k( 418) = ( 0.4310345 -0.2328590 -0.1397034), wk = 0.0020408 k( 419) = ( 0.4396552 -0.2375162 -0.1424975), wk = 0.0020408 k( 420) = ( 0.4482759 -0.2421733 -0.1452916), wk = 0.0020408 k( 421) = ( 0.4568966 -0.2468305 -0.1480856), wk = 0.0020408 k( 422) = ( 0.4655172 -0.2514877 -0.1508797), wk = 0.0020408 k( 423) = ( 0.4741379 -0.2561449 -0.1536738), wk = 0.0020408 k( 424) = ( 0.4827586 -0.2608020 -0.1564678), wk = 0.0020408 k( 425) = ( 0.4913793 -0.2654592 -0.1592619), wk = 0.0020408 k( 426) = ( 0.5000000 -0.2701164 -0.1620560), wk = 0.0020408 k( 427) = ( 0.5000000 -0.2701164 0.2876466), wk = 0.0020408 k( 428) = ( 0.4920635 -0.2658288 0.2830808), wk = 0.0020408 k( 429) = ( 0.4841270 -0.2615413 0.2785150), wk = 0.0020408 k( 430) = ( 0.4761905 -0.2572537 0.2739492), wk = 0.0020408 k( 431) = ( 0.4682540 -0.2529662 0.2693834), wk = 0.0020408 k( 432) = ( 0.4603175 -0.2486786 0.2648175), wk = 0.0020408 k( 433) = ( 0.4523810 -0.2443910 0.2602517), wk = 0.0020408 k( 434) = ( 0.4444444 -0.2401035 0.2556859), wk = 0.0020408 k( 435) = ( 0.4365079 -0.2358159 0.2511201), wk = 0.0020408 k( 436) = ( 0.4285714 -0.2315284 0.2465543), wk = 0.0020408 k( 437) = ( 0.4206349 -0.2272408 0.2419884), wk = 0.0020408 k( 438) = ( 0.4126984 -0.2229532 0.2374226), wk = 0.0020408 k( 439) = ( 0.4047619 -0.2186657 0.2328568), wk = 0.0020408 k( 440) = ( 0.3968254 -0.2143781 0.2282910), wk = 0.0020408 k( 441) = ( 0.3888889 -0.2100905 0.2237252), wk = 0.0020408 k( 442) = ( 0.3809524 -0.2058030 0.2191593), wk = 0.0020408 k( 443) = ( 0.3730159 -0.2015154 0.2145935), wk = 0.0020408 k( 444) = ( 0.3650794 -0.1972279 0.2100277), wk = 0.0020408 k( 445) = ( 0.3571429 -0.1929403 0.2054619), wk = 0.0020408 k( 446) = ( 0.3492063 -0.1886527 0.2008961), wk = 0.0020408 k( 447) = ( 0.3412698 -0.1843652 0.1963302), wk = 0.0020408 k( 448) = ( 0.3333333 -0.1800776 0.1917644), wk = 0.0020408 k( 449) = ( 0.3253968 -0.1757900 0.1871986), wk = 0.0020408 k( 450) = ( 0.3174603 -0.1715025 0.1826328), wk = 0.0020408 k( 451) = ( 0.3095238 -0.1672149 0.1780670), wk = 0.0020408 k( 452) = ( 0.3015873 -0.1629274 0.1735011), wk = 0.0020408 k( 453) = ( 0.2936508 -0.1586398 0.1689353), wk = 0.0020408 k( 454) = ( 0.2857143 -0.1543522 0.1643695), wk = 0.0020408 k( 455) = ( 0.2777778 -0.1500647 0.1598037), wk = 0.0020408 k( 456) = ( 0.2698413 -0.1457771 0.1552379), wk = 0.0020408 k( 457) = ( 0.2619048 -0.1414895 0.1506720), wk = 0.0020408 k( 458) = ( 0.2539683 -0.1372020 0.1461062), wk = 0.0020408 k( 459) = ( 0.2460317 -0.1329144 0.1415404), wk = 0.0020408 k( 460) = ( 0.2380952 -0.1286269 0.1369746), wk = 0.0020408 k( 461) = ( 0.2301587 -0.1243393 0.1324088), wk = 0.0020408 k( 462) = ( 0.2222222 -0.1200517 0.1278429), wk = 0.0020408 k( 463) = ( 0.2142857 -0.1157642 0.1232771), wk = 0.0020408 k( 464) = ( 0.2063492 -0.1114766 0.1187113), wk = 0.0020408 k( 465) = ( 0.1984127 -0.1071891 0.1141455), wk = 0.0020408 k( 466) = ( 0.1904762 -0.1029015 0.1095797), wk = 0.0020408 k( 467) = ( 0.1825397 -0.0986139 0.1050138), wk = 0.0020408 k( 468) = ( 0.1746032 -0.0943264 0.1004480), wk = 0.0020408 k( 469) = ( 0.1666667 -0.0900388 0.0958822), wk = 0.0020408 k( 470) = ( 0.1587302 -0.0857512 0.0913164), wk = 0.0020408 k( 471) = ( 0.1507937 -0.0814637 0.0867506), wk = 0.0020408 k( 472) = ( 0.1428571 -0.0771761 0.0821848), wk = 0.0020408 k( 473) = ( 0.1349206 -0.0728886 0.0776189), wk = 0.0020408 k( 474) = ( 0.1269841 -0.0686010 0.0730531), wk = 0.0020408 k( 475) = ( 0.1190476 -0.0643134 0.0684873), wk = 0.0020408 k( 476) = ( 0.1111111 -0.0600259 0.0639215), wk = 0.0020408 k( 477) = ( 0.1031746 -0.0557383 0.0593557), wk = 0.0020408 k( 478) = ( 0.0952381 -0.0514507 0.0547898), wk = 0.0020408 k( 479) = ( 0.0873016 -0.0471632 0.0502240), wk = 0.0020408 k( 480) = ( 0.0793651 -0.0428756 0.0456582), wk = 0.0020408 k( 481) = ( 0.0714286 -0.0385881 0.0410924), wk = 0.0020408 k( 482) = ( 0.0634921 -0.0343005 0.0365266), wk = 0.0020408 k( 483) = ( 0.0555556 -0.0300129 0.0319607), wk = 0.0020408 k( 484) = ( 0.0476191 -0.0257254 0.0273949), wk = 0.0020408 k( 485) = ( 0.0396825 -0.0214378 0.0228291), wk = 0.0020408 k( 486) = ( 0.0317460 -0.0171502 0.0182633), wk = 0.0020408 k( 487) = ( 0.0238095 -0.0128627 0.0136975), wk = 0.0020408 k( 488) = ( 0.0158730 -0.0085751 0.0091316), wk = 0.0020408 k( 489) = ( 0.0079365 -0.0042876 0.0045658), wk = 0.0020408 k( 490) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020408 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020408 k( 2) = ( 0.0075758 0.0075758 0.0000000), wk = 0.0020408 k( 3) = ( 0.0151515 0.0151515 0.0000000), wk = 0.0020408 k( 4) = ( 0.0227273 0.0227273 0.0000000), wk = 0.0020408 k( 5) = ( 0.0303030 0.0303030 0.0000000), wk = 0.0020408 k( 6) = ( 0.0378788 0.0378788 0.0000000), wk = 0.0020408 k( 7) = ( 0.0454546 0.0454546 -0.0000000), wk = 0.0020408 k( 8) = ( 0.0530303 0.0530303 0.0000000), wk = 0.0020408 k( 9) = ( 0.0606061 0.0606061 0.0000000), wk = 0.0020408 k( 10) = ( 0.0681818 0.0681818 0.0000000), wk = 0.0020408 k( 11) = ( 0.0757576 0.0757576 0.0000000), wk = 0.0020408 k( 12) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0020408 k( 13) = ( 0.0909091 0.0909091 0.0000000), wk = 0.0020408 k( 14) = ( 0.0984848 0.0984848 0.0000000), wk = 0.0020408 k( 15) = ( 0.1060606 0.1060606 -0.0000000), wk = 0.0020408 k( 16) = ( 0.1136364 0.1136364 0.0000000), wk = 0.0020408 k( 17) = ( 0.1212121 0.1212121 0.0000000), wk = 0.0020408 k( 18) = ( 0.1287879 0.1287879 0.0000000), wk = 0.0020408 k( 19) = ( 0.1363636 0.1363636 0.0000000), wk = 0.0020408 k( 20) = ( 0.1439394 0.1439394 0.0000000), wk = 0.0020408 k( 21) = ( 0.1515151 0.1515151 0.0000000), wk = 0.0020408 k( 22) = ( 0.1590909 0.1590909 -0.0000000), wk = 0.0020408 k( 23) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0020408 k( 24) = ( 0.1742424 0.1742424 0.0000000), wk = 0.0020408 k( 25) = ( 0.1818182 0.1818182 0.0000000), wk = 0.0020408 k( 26) = ( 0.1893939 0.1893939 0.0000000), wk = 0.0020408 k( 27) = ( 0.1969697 0.1969697 0.0000000), wk = 0.0020408 k( 28) = ( 0.2045454 0.2045454 0.0000000), wk = 0.0020408 k( 29) = ( 0.2121212 0.2121212 -0.0000000), wk = 0.0020408 k( 30) = ( 0.2196970 0.2196970 0.0000000), wk = 0.0020408 k( 31) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0020408 k( 32) = ( 0.2348485 0.2348485 0.0000000), wk = 0.0020408 k( 33) = ( 0.2424242 0.2424242 0.0000000), wk = 0.0020408 k( 34) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0020408 k( 35) = ( 0.2575758 0.2575758 0.0000000), wk = 0.0020408 k( 36) = ( 0.2651515 0.2651515 0.0000000), wk = 0.0020408 k( 37) = ( 0.2727273 0.2727273 -0.0000000), wk = 0.0020408 k( 38) = ( 0.2803030 0.2803030 -0.0000000), wk = 0.0020408 k( 39) = ( 0.2878788 0.2878788 0.0000000), wk = 0.0020408 k( 40) = ( 0.2954545 0.2954545 0.0000000), wk = 0.0020408 k( 41) = ( 0.3030303 0.3030303 0.0000000), wk = 0.0020408 k( 42) = ( 0.3106061 0.3106061 0.0000000), wk = 0.0020408 k( 43) = ( 0.3181818 0.3181818 -0.0000000), wk = 0.0020408 k( 44) = ( 0.3257576 0.3257576 0.0000000), wk = 0.0020408 k( 45) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0020408 k( 46) = ( 0.3409091 0.3409091 0.0000000), wk = 0.0020408 k( 47) = ( 0.3484849 0.3484849 0.0000000), wk = 0.0020408 k( 48) = ( 0.3560606 0.3560606 -0.0000000), wk = 0.0020408 k( 49) = ( 0.3636364 0.3636364 0.0000000), wk = 0.0020408 k( 50) = ( 0.3712121 0.3712121 0.0000000), wk = 0.0020408 k( 51) = ( 0.3787879 0.3787879 0.0000000), wk = 0.0020408 k( 52) = ( 0.3863636 0.3863636 0.0000000), wk = 0.0020408 k( 53) = ( 0.3939394 0.3939394 0.0000000), wk = 0.0020408 k( 54) = ( 0.4015151 0.4015151 0.0000000), wk = 0.0020408 k( 55) = ( 0.4090909 0.4090909 0.0000000), wk = 0.0020408 k( 56) = ( 0.4166667 0.4166667 0.0000000), wk = 0.0020408 k( 57) = ( 0.4242424 0.4242424 -0.0000000), wk = 0.0020408 k( 58) = ( 0.4318182 0.4318182 0.0000000), wk = 0.0020408 k( 59) = ( 0.4393939 0.4393939 0.0000000), wk = 0.0020408 k( 60) = ( 0.4469697 0.4469697 0.0000000), wk = 0.0020408 k( 61) = ( 0.4545455 0.4545455 0.0000000), wk = 0.0020408 k( 62) = ( 0.4621212 0.4621212 -0.0000000), wk = 0.0020408 k( 63) = ( 0.4696970 0.4696970 0.0000000), wk = 0.0020408 k( 64) = ( 0.4772727 0.4772727 0.0000000), wk = 0.0020408 k( 65) = ( 0.4848485 0.4848485 0.0000000), wk = 0.0020408 k( 66) = ( 0.4924242 0.4924242 0.0000000), wk = 0.0020408 k( 67) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0020408 k( 68) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0020408 k( 69) = ( 0.5040035 0.5040035 0.0121946), wk = 0.0020408 k( 70) = ( 0.5080071 0.5080071 0.0243892), wk = 0.0020408 k( 71) = ( 0.5120106 0.5120106 0.0365838), wk = 0.0020408 k( 72) = ( 0.5160141 0.5160141 0.0487785), wk = 0.0020408 k( 73) = ( 0.5200177 0.5200177 0.0609731), wk = 0.0020408 k( 74) = ( 0.5240212 0.5240212 0.0731677), wk = 0.0020408 k( 75) = ( 0.5280248 0.5280248 0.0853623), wk = 0.0020408 k( 76) = ( 0.5320283 0.5320283 0.0975569), wk = 0.0020408 k( 77) = ( 0.5360318 0.5360318 0.1097515), wk = 0.0020408 k( 78) = ( 0.5400354 0.5400354 0.1219461), wk = 0.0020408 k( 79) = ( 0.5440389 0.5440389 0.1341407), wk = 0.0020408 k( 80) = ( 0.5480424 0.5480424 0.1463353), wk = 0.0020408 k( 81) = ( 0.5520460 0.5520460 0.1585300), wk = 0.0020408 k( 82) = ( 0.5560495 0.5560495 0.1707246), wk = 0.0020408 k( 83) = ( 0.5600530 0.5600530 0.1829192), wk = 0.0020408 k( 84) = ( 0.5600530 0.5600530 0.1829192), wk = 0.0020408 k( 85) = ( 0.5582332 0.5582332 0.1925277), wk = 0.0020408 k( 86) = ( 0.5564134 0.5564134 0.2021362), wk = 0.0020408 k( 87) = ( 0.5545937 0.5545937 0.2117447), wk = 0.0020408 k( 88) = ( 0.5527739 0.5527739 0.2213532), wk = 0.0020408 k( 89) = ( 0.5509541 0.5509541 0.2309617), wk = 0.0020408 k( 90) = ( 0.5491343 0.5491343 0.2405702), wk = 0.0020408 k( 91) = ( 0.5473145 0.5473145 0.2501788), wk = 0.0020408 k( 92) = ( 0.5454947 0.5454947 0.2597873), wk = 0.0020408 k( 93) = ( 0.5436749 0.5436749 0.2693958), wk = 0.0020408 k( 94) = ( 0.5418551 0.5418551 0.2790043), wk = 0.0020408 k( 95) = ( 0.5400354 0.5400354 0.2886128), wk = 0.0020408 k( 96) = ( 0.5382156 0.5382156 0.2982213), wk = 0.0020408 k( 97) = ( 0.5363958 0.5363958 0.3078298), wk = 0.0020408 k( 98) = ( 0.5345760 0.5345760 0.3174383), wk = 0.0020408 k( 99) = ( 0.5327562 0.5327562 0.3270468), wk = 0.0020408 k( 100) = ( 0.5309364 0.5309364 0.3366553), wk = 0.0020408 k( 101) = ( 0.5291166 0.5291166 0.3462638), wk = 0.0020408 k( 102) = ( 0.5272968 0.5272968 0.3558724), wk = 0.0020408 k( 103) = ( 0.5254770 0.5254770 0.3654809), wk = 0.0020408 k( 104) = ( 0.5236572 0.5236572 0.3750894), wk = 0.0020408 k( 105) = ( 0.5218375 0.5218375 0.3846979), wk = 0.0020408 k( 106) = ( 0.5200177 0.5200177 0.3943064), wk = 0.0020408 k( 107) = ( 0.5181979 0.5181979 0.4039149), wk = 0.0020408 k( 108) = ( 0.5163781 0.5163781 0.4135234), wk = 0.0020408 k( 109) = ( 0.5145583 0.5145583 0.4231319), wk = 0.0020408 k( 110) = ( 0.5127385 0.5127385 0.4327404), wk = 0.0020408 k( 111) = ( 0.5109187 0.5109187 0.4423489), wk = 0.0020408 k( 112) = ( 0.5090989 0.5090989 0.4519575), wk = 0.0020408 k( 113) = ( 0.5072792 0.5072792 0.4615660), wk = 0.0020408 k( 114) = ( 0.5054594 0.5054594 0.4711745), wk = 0.0020408 k( 115) = ( 0.5036396 0.5036396 0.4807830), wk = 0.0020408 k( 116) = ( 0.5018198 0.5018198 0.4903915), wk = 0.0020408 k( 117) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020408 k( 118) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020408 k( 119) = ( 0.5051221 0.4948779 0.5000000), wk = 0.0020408 k( 120) = ( 0.5102441 0.4897559 0.5000000), wk = 0.0020408 k( 121) = ( 0.5153662 0.4846338 0.5000000), wk = 0.0020408 k( 122) = ( 0.5204882 0.4795118 0.5000000), wk = 0.0020408 k( 123) = ( 0.5256103 0.4743897 0.5000000), wk = 0.0020408 k( 124) = ( 0.5307324 0.4692676 0.5000000), wk = 0.0020408 k( 125) = ( 0.5358544 0.4641456 0.5000000), wk = 0.0020408 k( 126) = ( 0.5409765 0.4590235 0.5000000), wk = 0.0020408 k( 127) = ( 0.5460986 0.4539014 0.5000000), wk = 0.0020408 k( 128) = ( 0.5512206 0.4487794 0.5000000), wk = 0.0020408 k( 129) = ( 0.5563427 0.4436573 0.5000000), wk = 0.0020408 k( 130) = ( 0.5614647 0.4385353 0.5000000), wk = 0.0020408 k( 131) = ( 0.5665868 0.4334132 0.5000000), wk = 0.0020408 k( 132) = ( 0.5717089 0.4282911 0.5000000), wk = 0.0020408 k( 133) = ( 0.5768309 0.4231691 0.5000000), wk = 0.0020408 k( 134) = ( 0.5819530 0.4180470 0.5000000), wk = 0.0020408 k( 135) = ( 0.5870751 0.4129250 0.5000000), wk = 0.0020408 k( 136) = ( 0.5921971 0.4078029 0.5000000), wk = 0.0020408 k( 137) = ( 0.5973192 0.4026808 0.5000000), wk = 0.0020408 k( 138) = ( 0.6024412 0.3975588 0.5000000), wk = 0.0020408 k( 139) = ( 0.6075633 0.3924367 0.5000000), wk = 0.0020408 k( 140) = ( 0.6126854 0.3873146 0.5000000), wk = 0.0020408 k( 141) = ( 0.6178074 0.3821926 0.5000000), wk = 0.0020408 k( 142) = ( 0.6229295 0.3770705 0.5000000), wk = 0.0020408 k( 143) = ( 0.6280516 0.3719484 0.5000000), wk = 0.0020408 k( 144) = ( 0.6331736 0.3668264 0.5000000), wk = 0.0020408 k( 145) = ( 0.6382957 0.3617043 0.5000000), wk = 0.0020408 k( 146) = ( 0.6434177 0.3565823 0.5000000), wk = 0.0020408 k( 147) = ( 0.6485398 0.3514602 0.5000000), wk = 0.0020408 k( 148) = ( 0.6536619 0.3463381 0.5000000), wk = 0.0020408 k( 149) = ( 0.6587839 0.3412161 0.5000000), wk = 0.0020408 k( 150) = ( 0.6639060 0.3360940 0.5000000), wk = 0.0020408 k( 151) = ( 0.6690280 0.3309720 0.5000000), wk = 0.0020408 k( 152) = ( 0.6741501 0.3258499 0.5000000), wk = 0.0020408 k( 153) = ( 0.6792722 0.3207278 0.5000000), wk = 0.0020408 k( 154) = ( 0.6843942 0.3156058 0.5000000), wk = 0.0020408 k( 155) = ( 0.6895163 0.3104837 0.5000000), wk = 0.0020408 k( 156) = ( 0.6946383 0.3053616 0.5000000), wk = 0.0020408 k( 157) = ( 0.6997604 0.3002396 0.5000000), wk = 0.0020408 k( 158) = ( 0.7048825 0.2951175 0.5000000), wk = 0.0020408 k( 159) = ( 0.7100045 0.2899955 0.5000000), wk = 0.0020408 k( 160) = ( 0.2899955 -0.2899955 0.5000000), wk = 0.0020408 k( 161) = ( 0.2848170 -0.2848170 0.5000000), wk = 0.0020408 k( 162) = ( 0.2796385 -0.2796385 0.5000000), wk = 0.0020408 k( 163) = ( 0.2744600 -0.2744600 0.5000000), wk = 0.0020408 k( 164) = ( 0.2692815 -0.2692815 0.5000000), wk = 0.0020408 k( 165) = ( 0.2641030 -0.2641030 0.5000000), wk = 0.0020408 k( 166) = ( 0.2589245 -0.2589245 0.5000000), wk = 0.0020408 k( 167) = ( 0.2537460 -0.2537460 0.5000000), wk = 0.0020408 k( 168) = ( 0.2485675 -0.2485675 0.5000000), wk = 0.0020408 k( 169) = ( 0.2433890 -0.2433890 0.5000000), wk = 0.0020408 k( 170) = ( 0.2382106 -0.2382106 0.5000000), wk = 0.0020408 k( 171) = ( 0.2330321 -0.2330321 0.5000000), wk = 0.0020408 k( 172) = ( 0.2278536 -0.2278536 0.5000000), wk = 0.0020408 k( 173) = ( 0.2226751 -0.2226751 0.5000000), wk = 0.0020408 k( 174) = ( 0.2174966 -0.2174966 0.5000000), wk = 0.0020408 k( 175) = ( 0.2123181 -0.2123181 0.5000000), wk = 0.0020408 k( 176) = ( 0.2071396 -0.2071396 0.5000000), wk = 0.0020408 k( 177) = ( 0.2019611 -0.2019611 0.5000000), wk = 0.0020408 k( 178) = ( 0.1967826 -0.1967826 0.5000000), wk = 0.0020408 k( 179) = ( 0.1916042 -0.1916042 0.5000000), wk = 0.0020408 k( 180) = ( 0.1864257 -0.1864257 0.5000000), wk = 0.0020408 k( 181) = ( 0.1812472 -0.1812472 0.5000000), wk = 0.0020408 k( 182) = ( 0.1760687 -0.1760687 0.5000000), wk = 0.0020408 k( 183) = ( 0.1708902 -0.1708902 0.5000000), wk = 0.0020408 k( 184) = ( 0.1657117 -0.1657117 0.5000000), wk = 0.0020408 k( 185) = ( 0.1605332 -0.1605332 0.5000000), wk = 0.0020408 k( 186) = ( 0.1553547 -0.1553547 0.5000000), wk = 0.0020408 k( 187) = ( 0.1501762 -0.1501762 0.5000000), wk = 0.0020408 k( 188) = ( 0.1449977 -0.1449977 0.5000000), wk = 0.0020408 k( 189) = ( 0.1398192 -0.1398192 0.5000000), wk = 0.0020408 k( 190) = ( 0.1346408 -0.1346408 0.5000000), wk = 0.0020408 k( 191) = ( 0.1294623 -0.1294623 0.5000000), wk = 0.0020408 k( 192) = ( 0.1242838 -0.1242838 0.5000000), wk = 0.0020408 k( 193) = ( 0.1191053 -0.1191053 0.5000000), wk = 0.0020408 k( 194) = ( 0.1139268 -0.1139268 0.5000000), wk = 0.0020408 k( 195) = ( 0.1087483 -0.1087483 0.5000000), wk = 0.0020408 k( 196) = ( 0.1035698 -0.1035698 0.5000000), wk = 0.0020408 k( 197) = ( 0.0983913 -0.0983913 0.5000000), wk = 0.0020408 k( 198) = ( 0.0932128 -0.0932128 0.5000000), wk = 0.0020408 k( 199) = ( 0.0880343 -0.0880343 0.5000000), wk = 0.0020408 k( 200) = ( 0.0828558 -0.0828558 0.5000000), wk = 0.0020408 k( 201) = ( 0.0776774 -0.0776774 0.5000000), wk = 0.0020408 k( 202) = ( 0.0724989 -0.0724989 0.5000000), wk = 0.0020408 k( 203) = ( 0.0673204 -0.0673204 0.5000000), wk = 0.0020408 k( 204) = ( 0.0621419 -0.0621419 0.5000000), wk = 0.0020408 k( 205) = ( 0.0569634 -0.0569634 0.5000000), wk = 0.0020408 k( 206) = ( 0.0517849 -0.0517849 0.5000000), wk = 0.0020408 k( 207) = ( 0.0466064 -0.0466064 0.5000000), wk = 0.0020408 k( 208) = ( 0.0414279 -0.0414279 0.5000000), wk = 0.0020408 k( 209) = ( 0.0362494 -0.0362494 0.5000000), wk = 0.0020408 k( 210) = ( 0.0310709 -0.0310709 0.5000000), wk = 0.0020408 k( 211) = ( 0.0258925 -0.0258924 0.5000000), wk = 0.0020408 k( 212) = ( 0.0207140 -0.0207140 0.5000000), wk = 0.0020408 k( 213) = ( 0.0155355 -0.0155355 0.5000000), wk = 0.0020408 k( 214) = ( 0.0103570 -0.0103570 0.5000000), wk = 0.0020408 k( 215) = ( 0.0051785 -0.0051785 0.5000000), wk = 0.0020408 k( 216) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020408 k( 217) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020408 k( 218) = ( 0.0086264 0.0086264 0.5062173), wk = 0.0020408 k( 219) = ( 0.0172528 0.0172528 0.5124345), wk = 0.0020408 k( 220) = ( 0.0258792 0.0258792 0.5186518), wk = 0.0020408 k( 221) = ( 0.0345056 0.0345056 0.5248691), wk = 0.0020408 k( 222) = ( 0.0431321 0.0431321 0.5310864), wk = 0.0020408 k( 223) = ( 0.0517585 0.0517585 0.5373036), wk = 0.0020408 k( 224) = ( 0.0603849 0.0603849 0.5435209), wk = 0.0020408 k( 225) = ( 0.0690113 0.0690113 0.5497382), wk = 0.0020408 k( 226) = ( 0.0776377 0.0776377 0.5559554), wk = 0.0020408 k( 227) = ( 0.0862641 0.0862641 0.5621727), wk = 0.0020408 k( 228) = ( 0.0948905 0.0948905 0.5683900), wk = 0.0020408 k( 229) = ( 0.1035169 0.1035169 0.5746073), wk = 0.0020408 k( 230) = ( 0.1121433 0.1121433 0.5808245), wk = 0.0020408 k( 231) = ( 0.1207698 0.1207698 0.5870418), wk = 0.0020408 k( 232) = ( 0.1293962 0.1293962 0.5932591), wk = 0.0020408 k( 233) = ( 0.1380226 0.1380226 0.5994763), wk = 0.0020408 k( 234) = ( 0.1466490 0.1466490 0.6056936), wk = 0.0020408 k( 235) = ( 0.1552754 0.1552754 0.6119109), wk = 0.0020408 k( 236) = ( 0.1639018 0.1639018 0.6181281), wk = 0.0020408 k( 237) = ( 0.1725282 0.1725282 0.6243454), wk = 0.0020408 k( 238) = ( 0.1811546 0.1811546 0.6305627), wk = 0.0020408 k( 239) = ( 0.1897811 0.1897811 0.6367800), wk = 0.0020408 k( 240) = ( 0.1984075 0.1984075 0.6429972), wk = 0.0020408 k( 241) = ( 0.2070339 0.2070339 0.6492145), wk = 0.0020408 k( 242) = ( 0.2156603 0.2156603 0.6554318), wk = 0.0020408 k( 243) = ( 0.2242867 0.2242867 0.6616490), wk = 0.0020408 k( 244) = ( 0.2329131 0.2329131 0.6678663), wk = 0.0020408 k( 245) = ( 0.2415395 0.2415395 0.6740836), wk = 0.0020408 k( 246) = ( 0.2501659 0.2501659 0.6803009), wk = 0.0020408 k( 247) = ( 0.2587923 0.2587923 0.6865181), wk = 0.0020408 k( 248) = ( 0.2674187 0.2674187 0.6927354), wk = 0.0020408 k( 249) = ( 0.2760452 0.2760452 0.6989527), wk = 0.0020408 k( 250) = ( 0.2846716 0.2846716 0.7051699), wk = 0.0020408 k( 251) = ( 0.2932980 0.2932980 0.7113872), wk = 0.0020408 k( 252) = ( 0.3019244 0.3019244 0.7176045), wk = 0.0020408 k( 253) = ( 0.3105508 0.3105508 0.7238218), wk = 0.0020408 k( 254) = ( 0.3191772 0.3191772 0.7300390), wk = 0.0020408 k( 255) = ( 0.3278036 0.3278036 0.7362563), wk = 0.0020408 k( 256) = ( 0.3364300 0.3364300 0.7424736), wk = 0.0020408 k( 257) = ( 0.3450565 0.3450565 0.7486908), wk = 0.0020408 k( 258) = ( 0.3536829 0.3536829 0.7549081), wk = 0.0020408 k( 259) = ( 0.3623093 0.3623093 0.7611254), wk = 0.0020408 k( 260) = ( 0.3709357 0.3709357 0.7673427), wk = 0.0020408 k( 261) = ( 0.3795621 0.3795621 0.7735599), wk = 0.0020408 k( 262) = ( 0.3881885 0.3881885 0.7797772), wk = 0.0020408 k( 263) = ( 0.3968149 0.3968149 0.7859945), wk = 0.0020408 k( 264) = ( 0.4054413 0.4054413 0.7922117), wk = 0.0020408 k( 265) = ( 0.4140677 0.4140677 0.7984290), wk = 0.0020408 k( 266) = ( 0.4226941 0.4226941 0.8046463), wk = 0.0020408 k( 267) = ( 0.4313206 0.4313206 0.8108635), wk = 0.0020408 k( 268) = ( 0.4399470 0.4399470 0.8170808), wk = 0.0020408 k( 269) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0020408 k( 270) = ( 0.5051357 0.4948643 -0.0000000), wk = 0.0020408 k( 271) = ( 0.5102714 0.4897286 0.0000000), wk = 0.0020408 k( 272) = ( 0.5154071 0.4845929 -0.0000000), wk = 0.0020408 k( 273) = ( 0.5205429 0.4794571 0.0000000), wk = 0.0020408 k( 274) = ( 0.5256786 0.4743214 -0.0000000), wk = 0.0020408 k( 275) = ( 0.5308143 0.4691857 0.0000000), wk = 0.0020408 k( 276) = ( 0.5359500 0.4640500 0.0000000), wk = 0.0020408 k( 277) = ( 0.5410857 0.4589143 0.0000000), wk = 0.0020408 k( 278) = ( 0.5462214 0.4537786 0.0000000), wk = 0.0020408 k( 279) = ( 0.5513571 0.4486429 -0.0000000), wk = 0.0020408 k( 280) = ( 0.5564928 0.4435072 -0.0000000), wk = 0.0020408 k( 281) = ( 0.5616285 0.4383715 0.0000000), wk = 0.0020408 k( 282) = ( 0.5667642 0.4332357 0.0000000), wk = 0.0020408 k( 283) = ( 0.5719000 0.4281000 0.0000000), wk = 0.0020408 k( 284) = ( 0.5770357 0.4229643 0.0000000), wk = 0.0020408 k( 285) = ( 0.5821714 0.4178286 0.0000000), wk = 0.0020408 k( 286) = ( 0.5873071 0.4126929 0.0000000), wk = 0.0020408 k( 287) = ( 0.5924428 0.4075572 0.0000000), wk = 0.0020408 k( 288) = ( 0.5975785 0.4024215 -0.0000000), wk = 0.0020408 k( 289) = ( 0.6027142 0.3972858 0.0000000), wk = 0.0020408 k( 290) = ( 0.6078499 0.3921500 -0.0000000), wk = 0.0020408 k( 291) = ( 0.6129857 0.3870143 -0.0000000), wk = 0.0020408 k( 292) = ( 0.6181214 0.3818786 -0.0000000), wk = 0.0020408 k( 293) = ( 0.6232571 0.3767429 -0.0000000), wk = 0.0020408 k( 294) = ( 0.6283928 0.3716072 0.0000000), wk = 0.0020408 k( 295) = ( 0.6335285 0.3664715 -0.0000000), wk = 0.0020408 k( 296) = ( 0.3664715 -0.3664715 0.0000000), wk = 0.0020408 k( 297) = ( 0.3613099 -0.3613099 -0.0000000), wk = 0.0020408 k( 298) = ( 0.3561484 -0.3561484 -0.0000000), wk = 0.0020408 k( 299) = ( 0.3509868 -0.3509868 0.0000000), wk = 0.0020408 k( 300) = ( 0.3458252 -0.3458252 -0.0000000), wk = 0.0020408 k( 301) = ( 0.3406636 -0.3406636 -0.0000000), wk = 0.0020408 k( 302) = ( 0.3355021 -0.3355021 -0.0000000), wk = 0.0020408 k( 303) = ( 0.3303405 -0.3303405 -0.0000000), wk = 0.0020408 k( 304) = ( 0.3251789 -0.3251789 -0.0000000), wk = 0.0020408 k( 305) = ( 0.3200174 -0.3200174 0.0000000), wk = 0.0020408 k( 306) = ( 0.3148558 -0.3148558 -0.0000000), wk = 0.0020408 k( 307) = ( 0.3096942 -0.3096942 -0.0000000), wk = 0.0020408 k( 308) = ( 0.3045327 -0.3045326 0.0000000), wk = 0.0020408 k( 309) = ( 0.2993711 -0.2993711 -0.0000000), wk = 0.0020408 k( 310) = ( 0.2942095 -0.2942095 -0.0000000), wk = 0.0020408 k( 311) = ( 0.2890479 -0.2890479 -0.0000000), wk = 0.0020408 k( 312) = ( 0.2838864 -0.2838864 0.0000000), wk = 0.0020408 k( 313) = ( 0.2787248 -0.2787248 -0.0000000), wk = 0.0020408 k( 314) = ( 0.2735632 -0.2735632 0.0000000), wk = 0.0020408 k( 315) = ( 0.2684017 -0.2684017 0.0000000), wk = 0.0020408 k( 316) = ( 0.2632401 -0.2632401 0.0000000), wk = 0.0020408 k( 317) = ( 0.2580785 -0.2580785 -0.0000000), wk = 0.0020408 k( 318) = ( 0.2529169 -0.2529169 -0.0000000), wk = 0.0020408 k( 319) = ( 0.2477554 -0.2477554 0.0000000), wk = 0.0020408 k( 320) = ( 0.2425938 -0.2425938 -0.0000000), wk = 0.0020408 k( 321) = ( 0.2374322 -0.2374322 -0.0000000), wk = 0.0020408 k( 322) = ( 0.2322707 -0.2322707 0.0000000), wk = 0.0020408 k( 323) = ( 0.2271091 -0.2271091 -0.0000000), wk = 0.0020408 k( 324) = ( 0.2219475 -0.2219475 0.0000000), wk = 0.0020408 k( 325) = ( 0.2167860 -0.2167860 0.0000000), wk = 0.0020408 k( 326) = ( 0.2116244 -0.2116244 0.0000000), wk = 0.0020408 k( 327) = ( 0.2064628 -0.2064628 -0.0000000), wk = 0.0020408 k( 328) = ( 0.2013012 -0.2013012 -0.0000000), wk = 0.0020408 k( 329) = ( 0.1961397 -0.1961397 -0.0000000), wk = 0.0020408 k( 330) = ( 0.1909781 -0.1909781 -0.0000000), wk = 0.0020408 k( 331) = ( 0.1858165 -0.1858165 0.0000000), wk = 0.0020408 k( 332) = ( 0.1806550 -0.1806550 -0.0000000), wk = 0.0020408 k( 333) = ( 0.1754934 -0.1754934 0.0000000), wk = 0.0020408 k( 334) = ( 0.1703318 -0.1703318 -0.0000000), wk = 0.0020408 k( 335) = ( 0.1651702 -0.1651703 -0.0000000), wk = 0.0020408 k( 336) = ( 0.1600087 -0.1600087 0.0000000), wk = 0.0020408 k( 337) = ( 0.1548471 -0.1548471 -0.0000000), wk = 0.0020408 k( 338) = ( 0.1496855 -0.1496855 -0.0000000), wk = 0.0020408 k( 339) = ( 0.1445240 -0.1445240 -0.0000000), wk = 0.0020408 k( 340) = ( 0.1393624 -0.1393624 -0.0000000), wk = 0.0020408 k( 341) = ( 0.1342008 -0.1342008 0.0000000), wk = 0.0020408 k( 342) = ( 0.1290393 -0.1290393 -0.0000000), wk = 0.0020408 k( 343) = ( 0.1238777 -0.1238777 0.0000000), wk = 0.0020408 k( 344) = ( 0.1187161 -0.1187161 -0.0000000), wk = 0.0020408 k( 345) = ( 0.1135546 -0.1135546 0.0000000), wk = 0.0020408 k( 346) = ( 0.1083930 -0.1083930 0.0000000), wk = 0.0020408 k( 347) = ( 0.1032314 -0.1032314 -0.0000000), wk = 0.0020408 k( 348) = ( 0.0980698 -0.0980698 -0.0000000), wk = 0.0020408 k( 349) = ( 0.0929083 -0.0929083 0.0000000), wk = 0.0020408 k( 350) = ( 0.0877467 -0.0877467 0.0000000), wk = 0.0020408 k( 351) = ( 0.0825851 -0.0825851 0.0000000), wk = 0.0020408 k( 352) = ( 0.0774235 -0.0774236 0.0000000), wk = 0.0020408 k( 353) = ( 0.0722620 -0.0722620 0.0000000), wk = 0.0020408 k( 354) = ( 0.0671004 -0.0671004 0.0000000), wk = 0.0020408 k( 355) = ( 0.0619388 -0.0619388 -0.0000000), wk = 0.0020408 k( 356) = ( 0.0567773 -0.0567773 0.0000000), wk = 0.0020408 k( 357) = ( 0.0516157 -0.0516157 0.0000000), wk = 0.0020408 k( 358) = ( 0.0464541 -0.0464541 0.0000000), wk = 0.0020408 k( 359) = ( 0.0412926 -0.0412926 -0.0000000), wk = 0.0020408 k( 360) = ( 0.0361310 -0.0361310 0.0000000), wk = 0.0020408 k( 361) = ( 0.0309694 -0.0309694 -0.0000000), wk = 0.0020408 k( 362) = ( 0.0258079 -0.0258079 0.0000000), wk = 0.0020408 k( 363) = ( 0.0206463 -0.0206463 -0.0000000), wk = 0.0020408 k( 364) = ( 0.0154847 -0.0154847 -0.0000000), wk = 0.0020408 k( 365) = ( 0.0103231 -0.0103231 -0.0000000), wk = 0.0020408 k( 366) = ( 0.0051616 -0.0051616 -0.0000000), wk = 0.0020408 k( 367) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020408 k( 368) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020408 k( 369) = ( 0.0086207 -0.0000000 0.0000000), wk = 0.0020408 k( 370) = ( 0.0172414 -0.0000000 0.0000000), wk = 0.0020408 k( 371) = ( 0.0258621 0.0000000 -0.0000000), wk = 0.0020408 k( 372) = ( 0.0344828 -0.0000000 0.0000000), wk = 0.0020408 k( 373) = ( 0.0431035 -0.0000000 0.0000000), wk = 0.0020408 k( 374) = ( 0.0517241 0.0000000 -0.0000000), wk = 0.0020408 k( 375) = ( 0.0603448 -0.0000000 -0.0000000), wk = 0.0020408 k( 376) = ( 0.0689655 -0.0000000 0.0000000), wk = 0.0020408 k( 377) = ( 0.0775862 -0.0000000 0.0000000), wk = 0.0020408 k( 378) = ( 0.0862069 -0.0000000 0.0000000), wk = 0.0020408 k( 379) = ( 0.0948276 -0.0000000 -0.0000000), wk = 0.0020408 k( 380) = ( 0.1034483 0.0000000 -0.0000000), wk = 0.0020408 k( 381) = ( 0.1120690 -0.0000000 -0.0000000), wk = 0.0020408 k( 382) = ( 0.1206897 -0.0000000 -0.0000000), wk = 0.0020408 k( 383) = ( 0.1293103 -0.0000000 0.0000000), wk = 0.0020408 k( 384) = ( 0.1379310 -0.0000000 0.0000000), wk = 0.0020408 k( 385) = ( 0.1465517 0.0000000 0.0000000), wk = 0.0020408 k( 386) = ( 0.1551724 0.0000000 0.0000000), wk = 0.0020408 k( 387) = ( 0.1637931 -0.0000000 -0.0000000), wk = 0.0020408 k( 388) = ( 0.1724138 -0.0000000 0.0000000), wk = 0.0020408 k( 389) = ( 0.1810345 0.0000000 0.0000000), wk = 0.0020408 k( 390) = ( 0.1896552 -0.0000000 0.0000000), wk = 0.0020408 k( 391) = ( 0.1982759 0.0000000 0.0000000), wk = 0.0020408 k( 392) = ( 0.2068966 0.0000000 -0.0000000), wk = 0.0020408 k( 393) = ( 0.2155172 0.0000000 0.0000000), wk = 0.0020408 k( 394) = ( 0.2241379 -0.0000000 -0.0000000), wk = 0.0020408 k( 395) = ( 0.2327586 0.0000000 0.0000000), wk = 0.0020408 k( 396) = ( 0.2413793 0.0000000 0.0000000), wk = 0.0020408 k( 397) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0020408 k( 398) = ( 0.2586207 -0.0000000 0.0000000), wk = 0.0020408 k( 399) = ( 0.2672414 0.0000000 0.0000000), wk = 0.0020408 k( 400) = ( 0.2758621 -0.0000000 0.0000000), wk = 0.0020408 k( 401) = ( 0.2844828 0.0000000 0.0000000), wk = 0.0020408 k( 402) = ( 0.2931034 -0.0000000 0.0000000), wk = 0.0020408 k( 403) = ( 0.3017241 -0.0000000 0.0000000), wk = 0.0020408 k( 404) = ( 0.3103448 0.0000000 0.0000000), wk = 0.0020408 k( 405) = ( 0.3189655 -0.0000000 -0.0000000), wk = 0.0020408 k( 406) = ( 0.3275862 -0.0000000 0.0000000), wk = 0.0020408 k( 407) = ( 0.3362069 -0.0000000 0.0000000), wk = 0.0020408 k( 408) = ( 0.3448276 0.0000000 -0.0000000), wk = 0.0020408 k( 409) = ( 0.3534483 -0.0000000 -0.0000000), wk = 0.0020408 k( 410) = ( 0.3620690 0.0000000 0.0000000), wk = 0.0020408 k( 411) = ( 0.3706897 -0.0000000 0.0000000), wk = 0.0020408 k( 412) = ( 0.3793103 -0.0000000 0.0000000), wk = 0.0020408 k( 413) = ( 0.3879310 -0.0000000 -0.0000000), wk = 0.0020408 k( 414) = ( 0.3965517 0.0000000 0.0000000), wk = 0.0020408 k( 415) = ( 0.4051724 -0.0000000 -0.0000000), wk = 0.0020408 k( 416) = ( 0.4137931 0.0000000 -0.0000000), wk = 0.0020408 k( 417) = ( 0.4224138 -0.0000000 0.0000000), wk = 0.0020408 k( 418) = ( 0.4310345 0.0000000 0.0000000), wk = 0.0020408 k( 419) = ( 0.4396552 -0.0000000 0.0000000), wk = 0.0020408 k( 420) = ( 0.4482759 -0.0000000 -0.0000000), wk = 0.0020408 k( 421) = ( 0.4568966 -0.0000000 0.0000000), wk = 0.0020408 k( 422) = ( 0.4655172 0.0000000 0.0000000), wk = 0.0020408 k( 423) = ( 0.4741379 0.0000000 0.0000000), wk = 0.0020408 k( 424) = ( 0.4827586 0.0000000 0.0000000), wk = 0.0020408 k( 425) = ( 0.4913793 -0.0000000 0.0000000), wk = 0.0020408 k( 426) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0020408 k( 427) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020408 k( 428) = ( 0.4920635 -0.0000000 0.4920635), wk = 0.0020408 k( 429) = ( 0.4841270 -0.0000000 0.4841270), wk = 0.0020408 k( 430) = ( 0.4761905 0.0000000 0.4761905), wk = 0.0020408 k( 431) = ( 0.4682540 -0.0000000 0.4682540), wk = 0.0020408 k( 432) = ( 0.4603175 -0.0000000 0.4603175), wk = 0.0020408 k( 433) = ( 0.4523810 -0.0000000 0.4523810), wk = 0.0020408 k( 434) = ( 0.4444444 -0.0000000 0.4444444), wk = 0.0020408 k( 435) = ( 0.4365079 -0.0000000 0.4365079), wk = 0.0020408 k( 436) = ( 0.4285714 0.0000000 0.4285714), wk = 0.0020408 k( 437) = ( 0.4206349 0.0000000 0.4206349), wk = 0.0020408 k( 438) = ( 0.4126984 -0.0000000 0.4126984), wk = 0.0020408 k( 439) = ( 0.4047619 0.0000000 0.4047619), wk = 0.0020408 k( 440) = ( 0.3968254 -0.0000000 0.3968254), wk = 0.0020408 k( 441) = ( 0.3888889 -0.0000000 0.3888889), wk = 0.0020408 k( 442) = ( 0.3809524 0.0000000 0.3809524), wk = 0.0020408 k( 443) = ( 0.3730159 -0.0000000 0.3730159), wk = 0.0020408 k( 444) = ( 0.3650794 -0.0000000 0.3650794), wk = 0.0020408 k( 445) = ( 0.3571429 -0.0000000 0.3571429), wk = 0.0020408 k( 446) = ( 0.3492063 -0.0000000 0.3492063), wk = 0.0020408 k( 447) = ( 0.3412698 0.0000000 0.3412698), wk = 0.0020408 k( 448) = ( 0.3333333 -0.0000000 0.3333333), wk = 0.0020408 k( 449) = ( 0.3253968 0.0000000 0.3253968), wk = 0.0020408 k( 450) = ( 0.3174603 -0.0000000 0.3174603), wk = 0.0020408 k( 451) = ( 0.3095238 0.0000000 0.3095238), wk = 0.0020408 k( 452) = ( 0.3015873 -0.0000000 0.3015873), wk = 0.0020408 k( 453) = ( 0.2936508 0.0000000 0.2936508), wk = 0.0020408 k( 454) = ( 0.2857143 0.0000000 0.2857143), wk = 0.0020408 k( 455) = ( 0.2777778 -0.0000000 0.2777778), wk = 0.0020408 k( 456) = ( 0.2698413 0.0000000 0.2698413), wk = 0.0020408 k( 457) = ( 0.2619048 0.0000000 0.2619048), wk = 0.0020408 k( 458) = ( 0.2539683 -0.0000000 0.2539683), wk = 0.0020408 k( 459) = ( 0.2460317 -0.0000000 0.2460318), wk = 0.0020408 k( 460) = ( 0.2380952 0.0000000 0.2380952), wk = 0.0020408 k( 461) = ( 0.2301587 -0.0000000 0.2301587), wk = 0.0020408 k( 462) = ( 0.2222222 -0.0000000 0.2222222), wk = 0.0020408 k( 463) = ( 0.2142857 -0.0000000 0.2142857), wk = 0.0020408 k( 464) = ( 0.2063492 -0.0000000 0.2063492), wk = 0.0020408 k( 465) = ( 0.1984127 -0.0000000 0.1984127), wk = 0.0020408 k( 466) = ( 0.1904762 0.0000000 0.1904762), wk = 0.0020408 k( 467) = ( 0.1825397 0.0000000 0.1825397), wk = 0.0020408 k( 468) = ( 0.1746032 0.0000000 0.1746032), wk = 0.0020408 k( 469) = ( 0.1666667 0.0000000 0.1666667), wk = 0.0020408 k( 470) = ( 0.1587302 -0.0000000 0.1587302), wk = 0.0020408 k( 471) = ( 0.1507937 -0.0000000 0.1507937), wk = 0.0020408 k( 472) = ( 0.1428571 0.0000000 0.1428571), wk = 0.0020408 k( 473) = ( 0.1349206 -0.0000000 0.1349206), wk = 0.0020408 k( 474) = ( 0.1269841 -0.0000000 0.1269841), wk = 0.0020408 k( 475) = ( 0.1190476 0.0000000 0.1190476), wk = 0.0020408 k( 476) = ( 0.1111111 -0.0000000 0.1111111), wk = 0.0020408 k( 477) = ( 0.1031746 -0.0000000 0.1031746), wk = 0.0020408 k( 478) = ( 0.0952381 0.0000000 0.0952381), wk = 0.0020408 k( 479) = ( 0.0873016 0.0000000 0.0873016), wk = 0.0020408 k( 480) = ( 0.0793651 -0.0000000 0.0793651), wk = 0.0020408 k( 481) = ( 0.0714286 0.0000000 0.0714286), wk = 0.0020408 k( 482) = ( 0.0634921 -0.0000000 0.0634921), wk = 0.0020408 k( 483) = ( 0.0555556 -0.0000000 0.0555556), wk = 0.0020408 k( 484) = ( 0.0476191 0.0000000 0.0476191), wk = 0.0020408 k( 485) = ( 0.0396825 -0.0000000 0.0396825), wk = 0.0020408 k( 486) = ( 0.0317460 -0.0000000 0.0317460), wk = 0.0020408 k( 487) = ( 0.0238095 -0.0000000 0.0238095), wk = 0.0020408 k( 488) = ( 0.0158730 0.0000000 0.0158730), wk = 0.0020408 k( 489) = ( 0.0079365 0.0000000 0.0079365), wk = 0.0020408 k( 490) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020408 Dense grid: 20641 G-vectors FFT dimensions: ( 36, 36, 45) Smooth grid: 10315 G-vectors FFT dimensions: ( 27, 27, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 76, 22) NL pseudopotentials 0.02 Mb ( 38, 28) Each V/rho on FFT grid 0.04 Mb ( 2592) Each G-vector array 0.00 Mb ( 574) G-vector shells 0.00 Mb ( 555) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.10 Mb ( 76, 88) Each subspace H/S matrix 0.01 Mb ( 22, 22) Each matrix 0.02 Mb ( 28, 2, 22) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./F2.save/charge-density.dat Starting wfc are 16 randomized atomic wfcs + 6 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.5 secs Computing kpt #: 2 total cpu time spent up to now is 1.5 secs Computing kpt #: 3 total cpu time spent up to now is 1.6 secs Computing kpt #: 4 total cpu time spent up to now is 1.6 secs Computing kpt #: 5 total cpu time spent up to now is 1.7 secs Computing kpt #: 6 total cpu time spent up to now is 1.8 secs Computing kpt #: 7 total cpu time spent up to now is 1.8 secs Computing kpt #: 8 total cpu time spent up to now is 1.9 secs Computing kpt #: 9 total cpu time spent up to now is 1.9 secs Computing kpt #: 10 total cpu time spent up to now is 2.0 secs Computing kpt #: 11 total cpu time spent up to now is 2.1 secs Computing kpt #: 12 total cpu time spent up to now is 2.1 secs Computing kpt #: 13 total cpu time spent up to now is 2.2 secs Computing kpt #: 14 total cpu time spent up to now is 2.3 secs Computing kpt #: 15 total cpu time spent up to now is 2.3 secs Computing kpt #: 16 total cpu time spent up to now is 2.4 secs Computing kpt #: 17 total cpu time spent up to now is 2.5 secs Computing kpt #: 18 total cpu time spent up to now is 2.5 secs Computing kpt #: 19 total cpu time spent up to now is 2.6 secs Computing kpt #: 20 total cpu time spent up to now is 2.7 secs Computing kpt #: 21 total cpu time spent up to now is 2.7 secs Computing kpt #: 22 total cpu time spent up to now is 2.8 secs Computing kpt #: 23 total cpu time spent up to now is 2.9 secs Computing kpt #: 24 total cpu time spent up to now is 3.0 secs Computing kpt #: 25 total cpu time spent up to now is 3.0 secs Computing kpt #: 26 total cpu time spent up to now is 3.1 secs Computing kpt #: 27 total cpu time spent up to now is 3.2 secs Computing kpt #: 28 total cpu time spent up to now is 3.2 secs Computing kpt #: 29 total cpu time spent up to now is 3.3 secs Computing kpt #: 30 total cpu time spent up to now is 3.4 secs Computing kpt #: 31 total cpu time spent up to now is 3.5 secs Computing kpt #: 32 total cpu time spent up to now is 3.5 secs Computing kpt #: 33 total cpu time spent up to now is 3.6 secs Computing kpt #: 34 total cpu time spent up to now is 3.7 secs Computing kpt #: 35 total cpu time spent up to now is 3.7 secs Computing kpt #: 36 total cpu time spent up to now is 3.8 secs Computing kpt #: 37 total cpu time spent up to now is 3.9 secs Computing kpt #: 38 total cpu time spent up to now is 4.0 secs Computing kpt #: 39 total cpu time spent up to now is 4.1 secs Computing kpt #: 40 total cpu time spent up to now is 4.2 secs Computing kpt #: 41 total cpu time spent up to now is 4.3 secs Computing kpt #: 42 total cpu time spent up to now is 4.4 secs Computing kpt #: 43 total cpu time spent up to now is 4.5 secs Computing kpt #: 44 total cpu time spent up to now is 4.6 secs Computing kpt #: 45 total cpu time spent up to now is 4.7 secs Computing kpt #: 46 total cpu time spent up to now is 4.7 secs Computing kpt #: 47 total cpu time spent up to now is 4.8 secs Computing kpt #: 48 total cpu time spent up to now is 4.9 secs Computing kpt #: 49 total cpu time spent up to now is 5.0 secs Computing kpt #: 50 total cpu time spent up to now is 5.1 secs Computing kpt #: 51 total cpu time spent up to now is 5.2 secs Computing kpt #: 52 total cpu time spent up to now is 5.2 secs Computing kpt #: 53 total cpu time spent up to now is 5.3 secs Computing kpt #: 54 total cpu time spent up to now is 5.4 secs Computing kpt #: 55 total cpu time spent up to now is 5.5 secs Computing kpt #: 56 total cpu time spent up to now is 5.5 secs Computing kpt #: 57 total cpu time spent up to now is 5.6 secs Computing kpt #: 58 total cpu time spent up to now is 5.7 secs Computing kpt #: 59 total cpu time spent up to now is 5.7 secs Computing kpt #: 60 total cpu time spent up to now is 5.8 secs Computing kpt #: 61 total cpu time spent up to now is 5.8 secs Computing kpt #: 62 total cpu time spent up to now is 5.9 secs Computing kpt #: 63 total cpu time spent up to now is 6.0 secs Computing kpt #: 64 total cpu time spent up to now is 6.0 secs Computing kpt #: 65 total cpu time spent up to now is 6.1 secs Computing kpt #: 66 total cpu time spent up to now is 6.2 secs Computing kpt #: 67 total cpu time spent up to now is 6.3 secs Computing kpt #: 68 total cpu time spent up to now is 6.3 secs Computing kpt #: 69 total cpu time spent up to now is 6.4 secs Computing kpt #: 70 total cpu time spent up to now is 6.5 secs Computing kpt #: 71 total cpu time spent up to now is 6.5 secs Computing kpt #: 72 total cpu time spent up to now is 6.6 secs Computing kpt #: 73 total cpu time spent up to now is 6.6 secs Computing kpt #: 74 total cpu time spent up to now is 6.7 secs Computing kpt #: 75 total cpu time spent up to now is 6.8 secs Computing kpt #: 76 total cpu time spent up to now is 6.8 secs Computing kpt #: 77 total cpu time spent up to now is 6.9 secs Computing kpt #: 78 total cpu time spent up to now is 6.9 secs Computing kpt #: 79 total cpu time spent up to now is 7.0 secs Computing kpt #: 80 total cpu time spent up to now is 7.1 secs Computing kpt #: 81 total cpu time spent up to now is 7.1 secs Computing kpt #: 82 total cpu time spent up to now is 7.2 secs Computing kpt #: 83 total cpu time spent up to now is 7.2 secs Computing kpt #: 84 total cpu time spent up to now is 7.3 secs Computing kpt #: 85 total cpu time spent up to now is 7.3 secs Computing kpt #: 86 total cpu time spent up to now is 7.4 secs Computing kpt #: 87 total cpu time spent up to now is 7.5 secs Computing kpt #: 88 total cpu time spent up to now is 7.5 secs Computing kpt #: 89 total cpu time spent up to now is 7.6 secs Computing kpt #: 90 total cpu time spent up to now is 7.7 secs Computing kpt #: 91 total cpu time spent up to now is 7.7 secs Computing kpt #: 92 total cpu time spent up to now is 7.8 secs Computing kpt #: 93 total cpu time spent up to now is 7.8 secs Computing kpt #: 94 total cpu time spent up to now is 7.9 secs Computing kpt #: 95 total cpu time spent up to now is 7.9 secs Computing kpt #: 96 total cpu time spent up to now is 8.0 secs Computing kpt #: 97 total cpu time spent up to now is 8.1 secs Computing kpt #: 98 total cpu time spent up to now is 8.1 secs Computing kpt #: 99 total cpu time spent up to now is 8.2 secs Computing kpt #: 100 total cpu time spent up to now is 8.3 secs Computing kpt #: 101 total cpu time spent up to now is 8.3 secs Computing kpt #: 102 total cpu time spent up to now is 8.4 secs Computing kpt #: 103 total cpu time spent up to now is 8.4 secs Computing kpt #: 104 total cpu time spent up to now is 8.5 secs Computing kpt #: 105 total cpu time spent up to now is 8.6 secs Computing kpt #: 106 total cpu time spent up to now is 8.6 secs Computing kpt #: 107 total cpu time spent up to now is 8.7 secs Computing kpt #: 108 total cpu time spent up to now is 8.8 secs Computing kpt #: 109 total cpu time spent up to now is 8.8 secs Computing kpt #: 110 total cpu time spent up to now is 8.9 secs Computing kpt #: 111 total cpu time spent up to now is 9.0 secs Computing kpt #: 112 total cpu time spent up to now is 9.0 secs Computing kpt #: 113 total cpu time spent up to now is 9.1 secs Computing kpt #: 114 total cpu time spent up to now is 9.2 secs Computing kpt #: 115 total cpu time spent up to now is 9.2 secs Computing kpt #: 116 total cpu time spent up to now is 9.3 secs Computing kpt #: 117 total cpu time spent up to now is 9.4 secs Computing kpt #: 118 total cpu time spent up to now is 9.4 secs Computing kpt #: 119 total cpu time spent up to now is 9.5 secs Computing kpt #: 120 total cpu time spent up to now is 9.6 secs Computing kpt #: 121 total cpu time spent up to now is 9.7 secs Computing kpt #: 122 total cpu time spent up to now is 9.7 secs Computing kpt #: 123 total cpu time spent up to now is 9.8 secs Computing kpt #: 124 total cpu time spent up to now is 9.9 secs Computing kpt #: 125 total cpu time spent up to now is 10.0 secs Computing kpt #: 126 total cpu time spent up to now is 10.0 secs Computing kpt #: 127 total cpu time spent up to now is 10.1 secs Computing kpt #: 128 total cpu time spent up to now is 10.2 secs Computing kpt #: 129 total cpu time spent up to now is 10.3 secs Computing kpt #: 130 total cpu time spent up to now is 10.3 secs Computing kpt #: 131 total cpu time spent up to now is 10.4 secs Computing kpt #: 132 total cpu time spent up to now is 10.5 secs Computing kpt #: 133 total cpu time spent up to now is 10.5 secs Computing kpt #: 134 total cpu time spent up to now is 10.6 secs Computing kpt #: 135 total cpu time spent up to now is 10.7 secs Computing kpt #: 136 total cpu time spent up to now is 10.7 secs Computing kpt #: 137 total cpu time spent up to now is 10.8 secs Computing kpt #: 138 total cpu time spent up to now is 10.9 secs Computing kpt #: 139 total cpu time spent up to now is 10.9 secs Computing kpt #: 140 total cpu time spent up to now is 11.0 secs Computing kpt #: 141 total cpu time spent up to now is 11.1 secs Computing kpt #: 142 total cpu time spent up to now is 11.1 secs Computing kpt #: 143 total cpu time spent up to now is 11.2 secs Computing kpt #: 144 total cpu time spent up to now is 11.2 secs Computing kpt #: 145 total cpu time spent up to now is 11.3 secs Computing kpt #: 146 total cpu time spent up to now is 11.4 secs Computing kpt #: 147 total cpu time spent up to now is 11.4 secs Computing kpt #: 148 total cpu time spent up to now is 11.5 secs Computing kpt #: 149 total cpu time spent up to now is 11.6 secs Computing kpt #: 150 total cpu time spent up to now is 11.6 secs Computing kpt #: 151 total cpu time spent up to now is 11.7 secs Computing kpt #: 152 total cpu time spent up to now is 11.8 secs Computing kpt #: 153 total cpu time spent up to now is 11.8 secs Computing kpt #: 154 total cpu time spent up to now is 11.9 secs Computing kpt #: 155 total cpu time spent up to now is 12.0 secs Computing kpt #: 156 total cpu time spent up to now is 12.0 secs Computing kpt #: 157 total cpu time spent up to now is 12.1 secs Computing kpt #: 158 total cpu time spent up to now is 12.1 secs Computing kpt #: 159 total cpu time spent up to now is 12.2 secs Computing kpt #: 160 total cpu time spent up to now is 12.3 secs Computing kpt #: 161 total cpu time spent up to now is 12.3 secs Computing kpt #: 162 total cpu time spent up to now is 12.4 secs Computing kpt #: 163 total cpu time spent up to now is 12.5 secs Computing kpt #: 164 total cpu time spent up to now is 12.5 secs Computing kpt #: 165 total cpu time spent up to now is 12.6 secs Computing kpt #: 166 total cpu time spent up to now is 12.6 secs Computing kpt #: 167 total cpu time spent up to now is 12.7 secs Computing kpt #: 168 total cpu time spent up to now is 12.8 secs Computing kpt #: 169 total cpu time spent up to now is 12.8 secs Computing kpt #: 170 total cpu time spent up to now is 12.9 secs Computing kpt #: 171 total cpu time spent up to now is 12.9 secs Computing kpt #: 172 total cpu time spent up to now is 13.0 secs Computing kpt #: 173 total cpu time spent up to now is 13.1 secs Computing kpt #: 174 total cpu time spent up to now is 13.1 secs Computing kpt #: 175 total cpu time spent up to now is 13.2 secs Computing kpt #: 176 total cpu time spent up to now is 13.2 secs Computing kpt #: 177 total cpu time spent up to now is 13.3 secs Computing kpt #: 178 total cpu time spent up to now is 13.4 secs Computing kpt #: 179 total cpu time spent up to now is 13.4 secs Computing kpt #: 180 total cpu time spent up to now is 13.5 secs Computing kpt #: 181 total cpu time spent up to now is 13.5 secs Computing kpt #: 182 total cpu time spent up to now is 13.6 secs Computing kpt #: 183 total cpu time spent up to now is 13.7 secs Computing kpt #: 184 total cpu time spent up to now is 13.7 secs Computing kpt #: 185 total cpu time spent up to now is 13.8 secs Computing kpt #: 186 total cpu time spent up to now is 13.9 secs Computing kpt #: 187 total cpu time spent up to now is 13.9 secs Computing kpt #: 188 total cpu time spent up to now is 14.0 secs Computing kpt #: 189 total cpu time spent up to now is 14.0 secs Computing kpt #: 190 total cpu time spent up to now is 14.1 secs Computing kpt #: 191 total cpu time spent up to now is 14.2 secs Computing kpt #: 192 total cpu time spent up to now is 14.2 secs Computing kpt #: 193 total cpu time spent up to now is 14.3 secs Computing kpt #: 194 total cpu time spent up to now is 14.4 secs Computing kpt #: 195 total cpu time spent up to now is 14.4 secs Computing kpt #: 196 total cpu time spent up to now is 14.5 secs Computing kpt #: 197 total cpu time spent up to now is 14.5 secs Computing kpt #: 198 total cpu time spent up to now is 14.6 secs Computing kpt #: 199 total cpu time spent up to now is 14.7 secs Computing kpt #: 200 total cpu time spent up to now is 14.7 secs Computing kpt #: 201 total cpu time spent up to now is 14.8 secs Computing kpt #: 202 total cpu time spent up to now is 14.8 secs Computing kpt #: 203 total cpu time spent up to now is 14.9 secs Computing kpt #: 204 total cpu time spent up to now is 15.0 secs Computing kpt #: 205 total cpu time spent up to now is 15.0 secs Computing kpt #: 206 total cpu time spent up to now is 15.1 secs Computing kpt #: 207 total cpu time spent up to now is 15.2 secs Computing kpt #: 208 total cpu time spent up to now is 15.2 secs Computing kpt #: 209 total cpu time spent up to now is 15.3 secs Computing kpt #: 210 total cpu time spent up to now is 15.4 secs Computing kpt #: 211 total cpu time spent up to now is 15.5 secs Computing kpt #: 212 total cpu time spent up to now is 15.5 secs Computing kpt #: 213 total cpu time spent up to now is 15.6 secs Computing kpt #: 214 total cpu time spent up to now is 15.7 secs Computing kpt #: 215 total cpu time spent up to now is 15.7 secs Computing kpt #: 216 total cpu time spent up to now is 15.8 secs Computing kpt #: 217 total cpu time spent up to now is 15.9 secs Computing kpt #: 218 total cpu time spent up to now is 16.0 secs Computing kpt #: 219 total cpu time spent up to now is 16.0 secs Computing kpt #: 220 total cpu time spent up to now is 16.1 secs Computing kpt #: 221 total cpu time spent up to now is 16.2 secs Computing kpt #: 222 total cpu time spent up to now is 16.3 secs Computing kpt #: 223 total cpu time spent up to now is 16.3 secs Computing kpt #: 224 total cpu time spent up to now is 16.4 secs Computing kpt #: 225 total cpu time spent up to now is 16.5 secs Computing kpt #: 226 total cpu time spent up to now is 16.6 secs Computing kpt #: 227 total cpu time spent up to now is 16.7 secs Computing kpt #: 228 total cpu time spent up to now is 16.7 secs Computing kpt #: 229 total cpu time spent up to now is 16.8 secs Computing kpt #: 230 total cpu time spent up to now is 16.9 secs Computing kpt #: 231 total cpu time spent up to now is 16.9 secs Computing kpt #: 232 total cpu time spent up to now is 17.0 secs Computing kpt #: 233 total cpu time spent up to now is 17.1 secs Computing kpt #: 234 total cpu time spent up to now is 17.1 secs Computing kpt #: 235 total cpu time spent up to now is 17.2 secs Computing kpt #: 236 total cpu time spent up to now is 17.3 secs Computing kpt #: 237 total cpu time spent up to now is 17.3 secs Computing kpt #: 238 total cpu time spent up to now is 17.4 secs Computing kpt #: 239 total cpu time spent up to now is 17.5 secs Computing kpt #: 240 total cpu time spent up to now is 17.5 secs Computing kpt #: 241 total cpu time spent up to now is 17.6 secs Computing kpt #: 242 total cpu time spent up to now is 17.7 secs Computing kpt #: 243 total cpu time spent up to now is 17.7 secs Computing kpt #: 244 total cpu time spent up to now is 17.8 secs Computing kpt #: 245 total cpu time spent up to now is 17.8 secs Computing kpt #: 246 total cpu time spent up to now is 17.9 secs Computing kpt #: 247 total cpu time spent up to now is 18.0 secs Computing kpt #: 248 total cpu time spent up to now is 18.0 secs Computing kpt #: 249 total cpu time spent up to now is 18.1 secs Computing kpt #: 250 total cpu time spent up to now is 18.2 secs Computing kpt #: 251 total cpu time spent up to now is 18.2 secs Computing kpt #: 252 total cpu time spent up to now is 18.3 secs Computing kpt #: 253 total cpu time spent up to now is 18.3 secs Computing kpt #: 254 total cpu time spent up to now is 18.4 secs Computing kpt #: 255 total cpu time spent up to now is 18.5 secs Computing kpt #: 256 total cpu time spent up to now is 18.5 secs Computing kpt #: 257 total cpu time spent up to now is 18.6 secs Computing kpt #: 258 total cpu time spent up to now is 18.6 secs Computing kpt #: 259 total cpu time spent up to now is 18.7 secs Computing kpt #: 260 total cpu time spent up to now is 18.8 secs Computing kpt #: 261 total cpu time spent up to now is 18.8 secs Computing kpt #: 262 total cpu time spent up to now is 18.9 secs Computing kpt #: 263 total cpu time spent up to now is 18.9 secs Computing kpt #: 264 total cpu time spent up to now is 19.0 secs Computing kpt #: 265 total cpu time spent up to now is 19.1 secs Computing kpt #: 266 total cpu time spent up to now is 19.1 secs Computing kpt #: 267 total cpu time spent up to now is 19.2 secs Computing kpt #: 268 total cpu time spent up to now is 19.2 secs Computing kpt #: 269 total cpu time spent up to now is 19.3 secs Computing kpt #: 270 total cpu time spent up to now is 19.3 secs Computing kpt #: 271 total cpu time spent up to now is 19.4 secs Computing kpt #: 272 total cpu time spent up to now is 19.5 secs Computing kpt #: 273 total cpu time spent up to now is 19.5 secs Computing kpt #: 274 total cpu time spent up to now is 19.6 secs Computing kpt #: 275 total cpu time spent up to now is 19.7 secs Computing kpt #: 276 total cpu time spent up to now is 19.7 secs Computing kpt #: 277 total cpu time spent up to now is 19.8 secs Computing kpt #: 278 total cpu time spent up to now is 19.9 secs Computing kpt #: 279 total cpu time spent up to now is 19.9 secs Computing kpt #: 280 total cpu time spent up to now is 20.0 secs Computing kpt #: 281 total cpu time spent up to now is 20.1 secs Computing kpt #: 282 total cpu time spent up to now is 20.1 secs Computing kpt #: 283 total cpu time spent up to now is 20.2 secs Computing kpt #: 284 total cpu time spent up to now is 20.2 secs Computing kpt #: 285 total cpu time spent up to now is 20.3 secs Computing kpt #: 286 total cpu time spent up to now is 20.4 secs Computing kpt #: 287 total cpu time spent up to now is 20.4 secs Computing kpt #: 288 total cpu time spent up to now is 20.5 secs Computing kpt #: 289 total cpu time spent up to now is 20.5 secs Computing kpt #: 290 total cpu time spent up to now is 20.6 secs Computing kpt #: 291 total cpu time spent up to now is 20.7 secs Computing kpt #: 292 total cpu time spent up to now is 20.7 secs Computing kpt #: 293 total cpu time spent up to now is 20.8 secs Computing kpt #: 294 total cpu time spent up to now is 20.8 secs Computing kpt #: 295 total cpu time spent up to now is 20.9 secs Computing kpt #: 296 total cpu time spent up to now is 21.0 secs Computing kpt #: 297 total cpu time spent up to now is 21.0 secs Computing kpt #: 298 total cpu time spent up to now is 21.1 secs Computing kpt #: 299 total cpu time spent up to now is 21.2 secs Computing kpt #: 300 total cpu time spent up to now is 21.2 secs Computing kpt #: 301 total cpu time spent up to now is 21.3 secs Computing kpt #: 302 total cpu time spent up to now is 21.3 secs Computing kpt #: 303 total cpu time spent up to now is 21.4 secs Computing kpt #: 304 total cpu time spent up to now is 21.5 secs Computing kpt #: 305 total cpu time spent up to now is 21.5 secs Computing kpt #: 306 total cpu time spent up to now is 21.6 secs Computing kpt #: 307 total cpu time spent up to now is 21.7 secs Computing kpt #: 308 total cpu time spent up to now is 21.7 secs Computing kpt #: 309 total cpu time spent up to now is 21.8 secs Computing kpt #: 310 total cpu time spent up to now is 21.8 secs Computing kpt #: 311 total cpu time spent up to now is 21.9 secs Computing kpt #: 312 total cpu time spent up to now is 22.0 secs Computing kpt #: 313 total cpu time spent up to now is 22.0 secs Computing kpt #: 314 total cpu time spent up to now is 22.1 secs Computing kpt #: 315 total cpu time spent up to now is 22.2 secs Computing kpt #: 316 total cpu time spent up to now is 22.2 secs Computing kpt #: 317 total cpu time spent up to now is 22.3 secs Computing kpt #: 318 total cpu time spent up to now is 22.3 secs Computing kpt #: 319 total cpu time spent up to now is 22.4 secs Computing kpt #: 320 total cpu time spent up to now is 22.5 secs Computing kpt #: 321 total cpu time spent up to now is 22.5 secs Computing kpt #: 322 total cpu time spent up to now is 22.6 secs Computing kpt #: 323 total cpu time spent up to now is 22.7 secs Computing kpt #: 324 total cpu time spent up to now is 22.7 secs Computing kpt #: 325 total cpu time spent up to now is 22.8 secs Computing kpt #: 326 total cpu time spent up to now is 22.9 secs Computing kpt #: 327 total cpu time spent up to now is 22.9 secs Computing kpt #: 328 total cpu time spent up to now is 23.0 secs Computing kpt #: 329 total cpu time spent up to now is 23.1 secs Computing kpt #: 330 total cpu time spent up to now is 23.1 secs Computing kpt #: 331 total cpu time spent up to now is 23.2 secs Computing kpt #: 332 total cpu time spent up to now is 23.3 secs Computing kpt #: 333 total cpu time spent up to now is 23.3 secs Computing kpt #: 334 total cpu time spent up to now is 23.4 secs Computing kpt #: 335 total cpu time spent up to now is 23.5 secs Computing kpt #: 336 total cpu time spent up to now is 23.5 secs Computing kpt #: 337 total cpu time spent up to now is 23.6 secs Computing kpt #: 338 total cpu time spent up to now is 23.7 secs Computing kpt #: 339 total cpu time spent up to now is 23.7 secs Computing kpt #: 340 total cpu time spent up to now is 23.8 secs Computing kpt #: 341 total cpu time spent up to now is 23.9 secs Computing kpt #: 342 total cpu time spent up to now is 23.9 secs Computing kpt #: 343 total cpu time spent up to now is 24.0 secs Computing kpt #: 344 total cpu time spent up to now is 24.1 secs Computing kpt #: 345 total cpu time spent up to now is 24.1 secs Computing kpt #: 346 total cpu time spent up to now is 24.2 secs Computing kpt #: 347 total cpu time spent up to now is 24.3 secs Computing kpt #: 348 total cpu time spent up to now is 24.3 secs Computing kpt #: 349 total cpu time spent up to now is 24.4 secs Computing kpt #: 350 total cpu time spent up to now is 24.5 secs Computing kpt #: 351 total cpu time spent up to now is 24.5 secs Computing kpt #: 352 total cpu time spent up to now is 24.6 secs Computing kpt #: 353 total cpu time spent up to now is 24.6 secs Computing kpt #: 354 total cpu time spent up to now is 24.7 secs Computing kpt #: 355 total cpu time spent up to now is 24.8 secs Computing kpt #: 356 total cpu time spent up to now is 24.8 secs Computing kpt #: 357 total cpu time spent up to now is 24.9 secs Computing kpt #: 358 total cpu time spent up to now is 25.0 secs Computing kpt #: 359 total cpu time spent up to now is 25.0 secs Computing kpt #: 360 total cpu time spent up to now is 25.1 secs Computing kpt #: 361 total cpu time spent up to now is 25.1 secs Computing kpt #: 362 total cpu time spent up to now is 25.2 secs Computing kpt #: 363 total cpu time spent up to now is 25.3 secs Computing kpt #: 364 total cpu time spent up to now is 25.3 secs Computing kpt #: 365 total cpu time spent up to now is 25.4 secs Computing kpt #: 366 total cpu time spent up to now is 25.4 secs Computing kpt #: 367 total cpu time spent up to now is 25.5 secs Computing kpt #: 368 total cpu time spent up to now is 25.5 secs Computing kpt #: 369 total cpu time spent up to now is 25.6 secs Computing kpt #: 370 total cpu time spent up to now is 25.7 secs Computing kpt #: 371 total cpu time spent up to now is 25.7 secs Computing kpt #: 372 total cpu time spent up to now is 25.8 secs Computing kpt #: 373 total cpu time spent up to now is 25.8 secs Computing kpt #: 374 total cpu time spent up to now is 25.9 secs Computing kpt #: 375 total cpu time spent up to now is 26.0 secs Computing kpt #: 376 total cpu time spent up to now is 26.0 secs Computing kpt #: 377 total cpu time spent up to now is 26.1 secs Computing kpt #: 378 total cpu time spent up to now is 26.1 secs Computing kpt #: 379 total cpu time spent up to now is 26.2 secs Computing kpt #: 380 total cpu time spent up to now is 26.3 secs Computing kpt #: 381 total cpu time spent up to now is 26.3 secs Computing kpt #: 382 total cpu time spent up to now is 26.4 secs Computing kpt #: 383 total cpu time spent up to now is 26.5 secs Computing kpt #: 384 total cpu time spent up to now is 26.5 secs Computing kpt #: 385 total cpu time spent up to now is 26.6 secs Computing kpt #: 386 total cpu time spent up to now is 26.7 secs Computing kpt #: 387 total cpu time spent up to now is 26.7 secs Computing kpt #: 388 total cpu time spent up to now is 26.8 secs Computing kpt #: 389 total cpu time spent up to now is 26.9 secs Computing kpt #: 390 total cpu time spent up to now is 27.0 secs Computing kpt #: 391 total cpu time spent up to now is 27.0 secs Computing kpt #: 392 total cpu time spent up to now is 27.1 secs Computing kpt #: 393 total cpu time spent up to now is 27.2 secs Computing kpt #: 394 total cpu time spent up to now is 27.2 secs Computing kpt #: 395 total cpu time spent up to now is 27.3 secs Computing kpt #: 396 total cpu time spent up to now is 27.4 secs Computing kpt #: 397 total cpu time spent up to now is 27.4 secs Computing kpt #: 398 total cpu time spent up to now is 27.5 secs Computing kpt #: 399 total cpu time spent up to now is 27.6 secs Computing kpt #: 400 total cpu time spent up to now is 27.6 secs Computing kpt #: 401 total cpu time spent up to now is 27.7 secs Computing kpt #: 402 total cpu time spent up to now is 27.8 secs Computing kpt #: 403 total cpu time spent up to now is 27.8 secs Computing kpt #: 404 total cpu time spent up to now is 27.9 secs Computing kpt #: 405 total cpu time spent up to now is 27.9 secs Computing kpt #: 406 total cpu time spent up to now is 28.0 secs Computing kpt #: 407 total cpu time spent up to now is 28.1 secs Computing kpt #: 408 total cpu time spent up to now is 28.1 secs Computing kpt #: 409 total cpu time spent up to now is 28.2 secs Computing kpt #: 410 total cpu time spent up to now is 28.3 secs Computing kpt #: 411 total cpu time spent up to now is 28.3 secs Computing kpt #: 412 total cpu time spent up to now is 28.4 secs Computing kpt #: 413 total cpu time spent up to now is 28.5 secs Computing kpt #: 414 total cpu time spent up to now is 28.5 secs Computing kpt #: 415 total cpu time spent up to now is 28.6 secs Computing kpt #: 416 total cpu time spent up to now is 28.7 secs Computing kpt #: 417 total cpu time spent up to now is 28.7 secs Computing kpt #: 418 total cpu time spent up to now is 28.8 secs Computing kpt #: 419 total cpu time spent up to now is 28.9 secs Computing kpt #: 420 total cpu time spent up to now is 29.0 secs Computing kpt #: 421 total cpu time spent up to now is 29.0 secs Computing kpt #: 422 total cpu time spent up to now is 29.1 secs Computing kpt #: 423 total cpu time spent up to now is 29.2 secs Computing kpt #: 424 total cpu time spent up to now is 29.2 secs Computing kpt #: 425 total cpu time spent up to now is 29.3 secs Computing kpt #: 426 total cpu time spent up to now is 29.4 secs Computing kpt #: 427 total cpu time spent up to now is 29.4 secs Computing kpt #: 428 total cpu time spent up to now is 29.5 secs Computing kpt #: 429 total cpu time spent up to now is 29.6 secs Computing kpt #: 430 total cpu time spent up to now is 29.6 secs Computing kpt #: 431 total cpu time spent up to now is 29.7 secs Computing kpt #: 432 total cpu time spent up to now is 29.7 secs Computing kpt #: 433 total cpu time spent up to now is 29.8 secs Computing kpt #: 434 total cpu time spent up to now is 29.9 secs Computing kpt #: 435 total cpu time spent up to now is 29.9 secs Computing kpt #: 436 total cpu time spent up to now is 30.0 secs Computing kpt #: 437 total cpu time spent up to now is 30.0 secs Computing kpt #: 438 total cpu time spent up to now is 30.1 secs Computing kpt #: 439 total cpu time spent up to now is 30.2 secs Computing kpt #: 440 total cpu time spent up to now is 30.2 secs Computing kpt #: 441 total cpu time spent up to now is 30.3 secs Computing kpt #: 442 total cpu time spent up to now is 30.3 secs Computing kpt #: 443 total cpu time spent up to now is 30.4 secs Computing kpt #: 444 total cpu time spent up to now is 30.5 secs Computing kpt #: 445 total cpu time spent up to now is 30.5 secs Computing kpt #: 446 total cpu time spent up to now is 30.6 secs Computing kpt #: 447 total cpu time spent up to now is 30.6 secs Computing kpt #: 448 total cpu time spent up to now is 30.7 secs Computing kpt #: 449 total cpu time spent up to now is 30.8 secs Computing kpt #: 450 total cpu time spent up to now is 30.8 secs Computing kpt #: 451 total cpu time spent up to now is 30.9 secs Computing kpt #: 452 total cpu time spent up to now is 31.0 secs Computing kpt #: 453 total cpu time spent up to now is 31.0 secs Computing kpt #: 454 total cpu time spent up to now is 31.1 secs Computing kpt #: 455 total cpu time spent up to now is 31.2 secs Computing kpt #: 456 total cpu time spent up to now is 31.2 secs Computing kpt #: 457 total cpu time spent up to now is 31.3 secs Computing kpt #: 458 total cpu time spent up to now is 31.4 secs Computing kpt #: 459 total cpu time spent up to now is 31.4 secs Computing kpt #: 460 total cpu time spent up to now is 31.5 secs Computing kpt #: 461 total cpu time spent up to now is 31.6 secs Computing kpt #: 462 total cpu time spent up to now is 31.7 secs Computing kpt #: 463 total cpu time spent up to now is 31.7 secs Computing kpt #: 464 total cpu time spent up to now is 31.8 secs Computing kpt #: 465 total cpu time spent up to now is 31.9 secs Computing kpt #: 466 total cpu time spent up to now is 31.9 secs Computing kpt #: 467 total cpu time spent up to now is 32.0 secs Computing kpt #: 468 total cpu time spent up to now is 32.1 secs Computing kpt #: 469 total cpu time spent up to now is 32.2 secs Computing kpt #: 470 total cpu time spent up to now is 32.2 secs Computing kpt #: 471 total cpu time spent up to now is 32.3 secs Computing kpt #: 472 total cpu time spent up to now is 32.4 secs Computing kpt #: 473 total cpu time spent up to now is 32.4 secs Computing kpt #: 474 total cpu time spent up to now is 32.5 secs Computing kpt #: 475 total cpu time spent up to now is 32.6 secs Computing kpt #: 476 total cpu time spent up to now is 32.7 secs Computing kpt #: 477 total cpu time spent up to now is 32.7 secs Computing kpt #: 478 total cpu time spent up to now is 32.8 secs Computing kpt #: 479 total cpu time spent up to now is 32.9 secs Computing kpt #: 480 total cpu time spent up to now is 32.9 secs Computing kpt #: 481 total cpu time spent up to now is 33.0 secs Computing kpt #: 482 total cpu time spent up to now is 33.0 secs Computing kpt #: 483 total cpu time spent up to now is 33.1 secs Computing kpt #: 484 total cpu time spent up to now is 33.2 secs Computing kpt #: 485 total cpu time spent up to now is 33.2 secs Computing kpt #: 486 total cpu time spent up to now is 33.3 secs Computing kpt #: 487 total cpu time spent up to now is 33.3 secs Computing kpt #: 488 total cpu time spent up to now is 33.4 secs Computing kpt #: 489 total cpu time spent up to now is 33.5 secs Computing kpt #: 490 total cpu time spent up to now is 33.5 secs ethr = 7.14E-08, avg # of iterations = 11.2 total cpu time spent up to now is 33.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1275 PWs) bands (ev): -28.4719 -28.4719 -22.0831 -22.0831 -10.2824 -10.2824 -6.8021 -6.8021 -6.7605 -6.7605 -3.8295 -3.8295 -3.7257 -3.7257 0.1170 0.1170 5.4892 5.4892 15.1413 15.1413 15.4225 15.4225 k = 0.0076 0.0045-0.0049 ( 1277 PWs) bands (ev): -28.4719 -28.4719 -22.0832 -22.0832 -10.2820 -10.2820 -6.8025 -6.8025 -6.7609 -6.7609 -3.8294 -3.8294 -3.7260 -3.7260 0.1165 0.1165 5.4912 5.4912 15.1041 15.1041 15.4617 15.4617 k = 0.0152 0.0090-0.0098 ( 1277 PWs) bands (ev): -28.4716 -28.4716 -22.0834 -22.0834 -10.2809 -10.2809 -6.8036 -6.8036 -6.7620 -6.7620 -3.8291 -3.8291 -3.7268 -3.7268 0.1152 0.1152 5.4972 5.4972 15.0242 15.0242 15.5479 15.5479 k = 0.0227 0.0136-0.0147 ( 1279 PWs) bands (ev): -28.4711 -28.4711 -22.0839 -22.0839 -10.2789 -10.2789 -6.8055 -6.8055 -6.7639 -6.7639 -3.8286 -3.8286 -3.7283 -3.7283 0.1130 0.1130 5.5072 5.5072 14.9316 14.9316 15.6509 15.6509 k = 0.0303 0.0181-0.0196 ( 1281 PWs) bands (ev): -28.4704 -28.4704 -22.0846 -22.0846 -10.2762 -10.2762 -6.8082 -6.8082 -6.7665 -6.7665 -3.8280 -3.8280 -3.7303 -3.7303 0.1099 0.1099 5.5211 5.5211 14.8356 14.8356 15.7613 15.7613 k = 0.0379 0.0226-0.0246 ( 1283 PWs) bands (ev): -28.4696 -28.4696 -22.0855 -22.0855 -10.2728 -10.2728 -6.8117 -6.8117 -6.7697 -6.7697 -3.8271 -3.8271 -3.7329 -3.7329 0.1060 0.1060 5.5390 5.5390 14.7395 14.7395 15.8759 15.8759 k = 0.0455 0.0271-0.0295 ( 1283 PWs) bands (ev): -28.4685 -28.4685 -22.0866 -22.0866 -10.2685 -10.2685 -6.8161 -6.8161 -6.7735 -6.7735 -3.8261 -3.8261 -3.7360 -3.7360 0.1013 0.1013 5.5609 5.5609 14.6444 14.6444 15.9932 15.9932 k = 0.0530 0.0316-0.0344 ( 1287 PWs) bands (ev): -28.4673 -28.4673 -22.0878 -22.0878 -10.2635 -10.2635 -6.8213 -6.8213 -6.7779 -6.7779 -3.8250 -3.8250 -3.7396 -3.7396 0.0957 0.0957 5.5866 5.5866 14.5509 14.5509 16.1125 16.1125 k = 0.0606 0.0361-0.0393 ( 1287 PWs) bands (ev): -28.4659 -28.4659 -22.0893 -22.0893 -10.2577 -10.2577 -6.8274 -6.8274 -6.7828 -6.7828 -3.8238 -3.8238 -3.7437 -3.7437 0.0893 0.0893 5.6161 5.6161 14.4595 14.4595 16.2331 16.2331 k = 0.0682 0.0407-0.0442 ( 1287 PWs) bands (ev): -28.4644 -28.4644 -22.0909 -22.0909 -10.2513 -10.2513 -6.8344 -6.8344 -6.7881 -6.7881 -3.8225 -3.8225 -3.7482 -3.7482 0.0821 0.0821 5.6495 5.6495 14.3703 14.3703 16.3545 16.3545 k = 0.0758 0.0452-0.0491 ( 1289 PWs) bands (ev): -28.4626 -28.4626 -22.0927 -22.0927 -10.2441 -10.2441 -6.8424 -6.8424 -6.7938 -6.7938 -3.8213 -3.8213 -3.7530 -3.7530 0.0742 0.0742 5.6865 5.6865 14.2834 14.2834 16.4759 16.4759 k = 0.0833 0.0497-0.0540 ( 1287 PWs) bands (ev): -28.4607 -28.4607 -22.0946 -22.0946 -10.2362 -10.2362 -6.8513 -6.8513 -6.7998 -6.7998 -3.8203 -3.8203 -3.7581 -3.7581 0.0655 0.0655 5.7272 5.7272 14.1989 14.1989 16.5963 16.5963 k = 0.0909 0.0542-0.0589 ( 1287 PWs) bands (ev): -28.4586 -28.4586 -22.0968 -22.0968 -10.2276 -10.2276 -6.8610 -6.8610 -6.8062 -6.8062 -3.8196 -3.8196 -3.7631 -3.7631 0.0562 0.0562 5.7715 5.7715 14.1169 14.1169 16.7144 16.7144 k = 0.0985 0.0587-0.0638 ( 1285 PWs) bands (ev): -28.4563 -28.4563 -22.0991 -22.0991 -10.2183 -10.2183 -6.8717 -6.8717 -6.8128 -6.8128 -3.8196 -3.8196 -3.7679 -3.7679 0.0461 0.0461 5.8194 5.8194 14.0374 14.0374 16.8280 16.8280 k = 0.1061 0.0633-0.0688 ( 1289 PWs) bands (ev): -28.4539 -28.4539 -22.1015 -22.1015 -10.2084 -10.2084 -6.8833 -6.8833 -6.8197 -6.8197 -3.8205 -3.8205 -3.7721 -3.7721 0.0355 0.0355 5.8707 5.8707 13.9606 13.9606 16.9337 16.9337 k = 0.1136 0.0678-0.0737 ( 1288 PWs) bands (ev): -28.4514 -28.4514 -22.1041 -22.1041 -10.1979 -10.1979 -6.8956 -6.8956 -6.8270 -6.8270 -3.8229 -3.8229 -3.7751 -3.7751 0.0242 0.0242 5.9253 5.9253 13.8864 13.8864 17.0261 17.0261 k = 0.1212 0.0723-0.0786 ( 1288 PWs) bands (ev): -28.4487 -28.4487 -22.1068 -22.1068 -10.1867 -10.1867 -6.9087 -6.9087 -6.8344 -6.8344 -3.8271 -3.8271 -3.7768 -3.7768 0.0124 0.0124 5.9833 5.9833 13.8148 13.8148 17.0966 17.0966 k = 0.1288 0.0768-0.0835 ( 1286 PWs) bands (ev): -28.4458 -28.4458 -22.1097 -22.1097 -10.1750 -10.1750 -6.9225 -6.9225 -6.8421 -6.8421 -3.8330 -3.8330 -3.7770 -3.7770 0.0001 0.0001 6.0445 6.0445 13.7459 13.7459 17.1347 17.1347 k = 0.1364 0.0813-0.0884 ( 1288 PWs) bands (ev): -28.4428 -28.4428 -22.1127 -22.1127 -10.1627 -10.1627 -6.9370 -6.9370 -6.8501 -6.8501 -3.8405 -3.8405 -3.7761 -3.7761 -0.0128 -0.0128 6.1088 6.1088 13.6797 13.6797 17.1316 17.1317 k = 0.1439 0.0858-0.0933 ( 1290 PWs) bands (ev): -28.4397 -28.4397 -22.1158 -22.1158 -10.1499 -10.1499 -6.9521 -6.9521 -6.8583 -6.8583 -3.8492 -3.8492 -3.7742 -3.7742 -0.0261 -0.0261 6.1761 6.1761 13.6162 13.6162 17.0877 17.0877 k = 0.1515 0.0904-0.0982 ( 1288 PWs) bands (ev): -28.4365 -28.4365 -22.1190 -22.1190 -10.1365 -10.1365 -6.9677 -6.9677 -6.8667 -6.8667 -3.8590 -3.8590 -3.7716 -3.7716 -0.0398 -0.0398 6.2464 6.2464 13.5554 13.5554 17.0114 17.0114 k = 0.1591 0.0949-0.1031 ( 1289 PWs) bands (ev): -28.4331 -28.4331 -22.1223 -22.1223 -10.1227 -10.1227 -6.9838 -6.9838 -6.8753 -6.8753 -3.8695 -3.8695 -3.7686 -3.7686 -0.0539 -0.0539 6.3195 6.3195 13.4973 13.4973 16.9133 16.9133 k = 0.1667 0.0994-0.1080 ( 1289 PWs) bands (ev): -28.4297 -28.4297 -22.1257 -22.1257 -10.1085 -10.1085 -7.0004 -7.0004 -6.8842 -6.8842 -3.8808 -3.8808 -3.7651 -3.7651 -0.0684 -0.0684 6.3954 6.3954 13.4419 13.4419 16.8014 16.8014 k = 0.1742 0.1039-0.1129 ( 1289 PWs) bands (ev): -28.4262 -28.4262 -22.1292 -22.1292 -10.0938 -10.0938 -7.0173 -7.0173 -6.8932 -6.8932 -3.8926 -3.8926 -3.7614 -3.7614 -0.0831 -0.0831 6.4740 6.4740 13.3892 13.3892 16.6810 16.6810 k = 0.1818 0.1084-0.1179 ( 1289 PWs) bands (ev): -28.4226 -28.4226 -22.1328 -22.1328 -10.0787 -10.0787 -7.0346 -7.0346 -6.9023 -6.9023 -3.9049 -3.9049 -3.7575 -3.7575 -0.0982 -0.0982 6.5552 6.5552 13.3392 13.3392 16.5555 16.5555 k = 0.1894 0.1129-0.1228 ( 1288 PWs) bands (ev): -28.4188 -28.4188 -22.1365 -22.1365 -10.0633 -10.0633 -7.0522 -7.0522 -6.9117 -6.9117 -3.9177 -3.9177 -3.7533 -3.7533 -0.1135 -0.1135 6.6388 6.6388 13.2918 13.2918 16.4268 16.4268 k = 0.1970 0.1175-0.1277 ( 1289 PWs) bands (ev): -28.4151 -28.4151 -22.1402 -22.1402 -10.0475 -10.0475 -7.0701 -7.0701 -6.9211 -6.9211 -3.9309 -3.9309 -3.7490 -3.7490 -0.1289 -0.1289 6.7248 6.7248 13.2472 13.2472 16.2962 16.2962 k = 0.2045 0.1220-0.1326 ( 1289 PWs) bands (ev): -28.4113 -28.4113 -22.1439 -22.1439 -10.0314 -10.0314 -7.0881 -7.0881 -6.9307 -6.9307 -3.9444 -3.9444 -3.7446 -3.7446 -0.1446 -0.1446 6.8131 6.8131 13.2051 13.2051 16.1646 16.1646 k = 0.2121 0.1265-0.1375 ( 1285 PWs) bands (ev): -28.4074 -28.4074 -22.1477 -22.1477 -10.0151 -10.0151 -7.1063 -7.1063 -6.9403 -6.9403 -3.9583 -3.9583 -3.7401 -3.7401 -0.1603 -0.1603 6.9036 6.9036 13.1657 13.1657 16.0327 16.0327 k = 0.2197 0.1310-0.1424 ( 1284 PWs) bands (ev): -28.4034 -28.4034 -22.1515 -22.1515 -9.9985 -9.9985 -7.1246 -7.1246 -6.9500 -6.9500 -3.9725 -3.9725 -3.7356 -3.7356 -0.1762 -0.1762 6.9962 6.9962 13.1289 13.1289 15.9006 15.9006 k = 0.2273 0.1355-0.1473 ( 1289 PWs) bands (ev): -28.3995 -28.3995 -22.1554 -22.1554 -9.9818 -9.9818 -7.1430 -7.1430 -6.9597 -6.9597 -3.9869 -3.9869 -3.7309 -3.7309 -0.1921 -0.1921 7.0907 7.0907 13.0946 13.0946 15.7689 15.7689 k = 0.2348 0.1401-0.1522 ( 1291 PWs) bands (ev): -28.3955 -28.3955 -22.1593 -22.1593 -9.9649 -9.9649 -7.1614 -7.1614 -6.9695 -6.9695 -4.0015 -4.0015 -3.7262 -3.7262 -0.2081 -0.2081 7.1872 7.1872 13.0628 13.0628 15.6376 15.6376 k = 0.2424 0.1446-0.1571 ( 1293 PWs) bands (ev): -28.3914 -28.3914 -22.1631 -22.1631 -9.9479 -9.9479 -7.1797 -7.1797 -6.9793 -6.9793 -4.0163 -4.0163 -3.7215 -3.7215 -0.2240 -0.2240 7.2855 7.2855 13.0334 13.0334 15.5069 15.5069 k = 0.2500 0.1491-0.1621 ( 1293 PWs) bands (ev): -28.3874 -28.3874 -22.1670 -22.1670 -9.9308 -9.9308 -7.1980 -7.1980 -6.9891 -6.9891 -4.0312 -4.0312 -3.7168 -3.7168 -0.2399 -0.2399 7.3855 7.3855 13.0065 13.0065 15.3770 15.3770 k = 0.2576 0.1536-0.1670 ( 1294 PWs) bands (ev): -28.3834 -28.3834 -22.1708 -22.1708 -9.9136 -9.9136 -7.2162 -7.2162 -6.9988 -6.9988 -4.0463 -4.0463 -3.7121 -3.7121 -0.2557 -0.2557 7.4871 7.4871 12.9820 12.9820 15.2479 15.2479 k = 0.2652 0.1581-0.1719 ( 1292 PWs) bands (ev): -28.3793 -28.3793 -22.1747 -22.1747 -9.8965 -9.8965 -7.2342 -7.2342 -7.0085 -7.0085 -4.0614 -4.0614 -3.7074 -3.7074 -0.2714 -0.2714 7.5902 7.5902 12.9597 12.9597 15.1196 15.1196 k = 0.2727 0.1626-0.1768 ( 1288 PWs) bands (ev): -28.3753 -28.3753 -22.1785 -22.1785 -9.8793 -9.8793 -7.2521 -7.2521 -7.0181 -7.0181 -4.0765 -4.0765 -3.7027 -3.7027 -0.2869 -0.2869 7.6947 7.6947 12.9397 12.9397 14.9922 14.9922 k = 0.2803 0.1672-0.1817 ( 1288 PWs) bands (ev): -28.3713 -28.3713 -22.1822 -22.1822 -9.8623 -9.8623 -7.2697 -7.2697 -7.0276 -7.0276 -4.0916 -4.0916 -3.6980 -3.6980 -0.3023 -0.3023 7.8006 7.8006 12.9219 12.9219 14.8658 14.8658 k = 0.2879 0.1717-0.1866 ( 1290 PWs) bands (ev): -28.3674 -28.3674 -22.1859 -22.1859 -9.8453 -9.8453 -7.2871 -7.2871 -7.0370 -7.0370 -4.1067 -4.1067 -3.6934 -3.6934 -0.3175 -0.3175 7.9077 7.9077 12.9062 12.9062 14.7403 14.7403 k = 0.2955 0.1762-0.1915 ( 1290 PWs) bands (ev): -28.3635 -28.3635 -22.1896 -22.1896 -9.8285 -9.8285 -7.3041 -7.3041 -7.0463 -7.0463 -4.1217 -4.1217 -3.6888 -3.6888 -0.3324 -0.3324 8.0158 8.0158 12.8926 12.8926 14.6157 14.6157 k = 0.3030 0.1807-0.1964 ( 1290 PWs) bands (ev): -28.3596 -28.3596 -22.1932 -22.1932 -9.8119 -9.8119 -7.3209 -7.3209 -7.0554 -7.0554 -4.1366 -4.1366 -3.6844 -3.6844 -0.3471 -0.3471 8.1250 8.1250 12.8809 12.8809 14.4920 14.4920 k = 0.3106 0.1852-0.2013 ( 1291 PWs) bands (ev): -28.3559 -28.3559 -22.1967 -22.1967 -9.7955 -9.7955 -7.3373 -7.3373 -7.0643 -7.0643 -4.1513 -4.1513 -3.6800 -3.6800 -0.3614 -0.3614 8.2352 8.2352 12.8710 12.8710 14.3693 14.3693 k = 0.3182 0.1898-0.2063 ( 1292 PWs) bands (ev): -28.3522 -28.3522 -22.2002 -22.2002 -9.7794 -9.7794 -7.3533 -7.3533 -7.0730 -7.0730 -4.1659 -4.1659 -3.6757 -3.6757 -0.3755 -0.3755 8.3461 8.3461 12.8630 12.8630 14.2475 14.2475 k = 0.3258 0.1943-0.2112 ( 1294 PWs) bands (ev): -28.3485 -28.3485 -22.2036 -22.2036 -9.7636 -9.7636 -7.3688 -7.3688 -7.0816 -7.0816 -4.1802 -4.1802 -3.6714 -3.6714 -0.3891 -0.3891 8.4578 8.4578 12.8566 12.8566 14.1266 14.1266 k = 0.3333 0.1988-0.2161 ( 1296 PWs) bands (ev): -28.3450 -28.3450 -22.2068 -22.2068 -9.7480 -9.7480 -7.3840 -7.3840 -7.0899 -7.0899 -4.1942 -4.1942 -3.6673 -3.6673 -0.4025 -0.4025 8.5701 8.5701 12.8519 12.8519 14.0066 14.0066 k = 0.3409 0.2033-0.2210 ( 1295 PWs) bands (ev): -28.3415 -28.3415 -22.2100 -22.2100 -9.7329 -9.7329 -7.3987 -7.3987 -7.0979 -7.0979 -4.2079 -4.2079 -3.6633 -3.6633 -0.4154 -0.4154 8.6828 8.6828 12.8487 12.8487 13.8875 13.8875 k = 0.3485 0.2078-0.2259 ( 1294 PWs) bands (ev): -28.3381 -28.3381 -22.2131 -22.2131 -9.7182 -9.7182 -7.4128 -7.4128 -7.1057 -7.1057 -4.2213 -4.2213 -3.6595 -3.6595 -0.4278 -0.4278 8.7960 8.7960 12.8468 12.8468 13.7693 13.7693 k = 0.3561 0.2123-0.2308 ( 1292 PWs) bands (ev): -28.3349 -28.3349 -22.2160 -22.2160 -9.7039 -9.7039 -7.4265 -7.4265 -7.1132 -7.1132 -4.2343 -4.2343 -3.6558 -3.6558 -0.4399 -0.4399 8.9094 8.9094 12.8462 12.8462 13.6520 13.6520 k = 0.3636 0.2169-0.2357 ( 1290 PWs) bands (ev): -28.3318 -28.3318 -22.2189 -22.2189 -9.6902 -9.6902 -7.4396 -7.4396 -7.1204 -7.1204 -4.2469 -4.2469 -3.6522 -3.6522 -0.4514 -0.4514 9.0230 9.0230 12.8468 12.8468 13.5356 13.5356 k = 0.3712 0.2214-0.2406 ( 1290 PWs) bands (ev): -28.3288 -28.3288 -22.2216 -22.2216 -9.6769 -9.6769 -7.4521 -7.4521 -7.1274 -7.1274 -4.2590 -4.2590 -3.6487 -3.6487 -0.4625 -0.4625 9.1365 9.1365 12.8484 12.8484 13.4201 13.4201 k = 0.3788 0.2259-0.2455 ( 1291 PWs) bands (ev): -28.3259 -28.3259 -22.2242 -22.2242 -9.6642 -9.6642 -7.4640 -7.4640 -7.1340 -7.1340 -4.2706 -4.2706 -3.6454 -3.6454 -0.4730 -0.4730 9.2499 9.2499 12.8508 12.8508 13.3056 13.3056 k = 0.3864 0.2304-0.2505 ( 1293 PWs) bands (ev): -28.3232 -28.3232 -22.2267 -22.2267 -9.6520 -9.6520 -7.4754 -7.4754 -7.1402 -7.1402 -4.2817 -4.2817 -3.6423 -3.6423 -0.4830 -0.4830 9.3630 9.3630 12.8540 12.8540 13.1922 13.1922 k = 0.3939 0.2349-0.2554 ( 1299 PWs) bands (ev): -28.3206 -28.3206 -22.2290 -22.2290 -9.6405 -9.6405 -7.4861 -7.4861 -7.1462 -7.1462 -4.2923 -4.2923 -3.6394 -3.6394 -0.4925 -0.4925 9.4755 9.4755 12.8576 12.8576 13.0801 13.0801 k = 0.4015 0.2394-0.2603 ( 1299 PWs) bands (ev): -28.3182 -28.3182 -22.2312 -22.2312 -9.6296 -9.6296 -7.4961 -7.4961 -7.1517 -7.1517 -4.3023 -4.3023 -3.6366 -3.6366 -0.5013 -0.5013 9.5873 9.5873 12.8609 12.8609 12.9700 12.9700 k = 0.4091 0.2440-0.2652 ( 1292 PWs) bands (ev): -28.3159 -28.3159 -22.2332 -22.2332 -9.6194 -9.6194 -7.5055 -7.5055 -7.1569 -7.1569 -4.3116 -4.3116 -3.6340 -3.6340 -0.5096 -0.5096 9.6981 9.6981 12.8460 12.8460 12.8801 12.8801 k = 0.4167 0.2485-0.2701 ( 1291 PWs) bands (ev): -28.3138 -28.3138 -22.2351 -22.2351 -9.6099 -9.6099 -7.5141 -7.5141 -7.1617 -7.1617 -4.3203 -4.3203 -3.6316 -3.6316 -0.5173 -0.5173 9.8075 9.8075 12.7474 12.7474 12.8757 12.8757 k = 0.4242 0.2530-0.2750 ( 1293 PWs) bands (ev): -28.3118 -28.3118 -22.2369 -22.2369 -9.6012 -9.6012 -7.5221 -7.5221 -7.1662 -7.1662 -4.3284 -4.3284 -3.6294 -3.6294 -0.5243 -0.5243 9.9151 9.9151 12.6420 12.6420 12.8801 12.8801 k = 0.4318 0.2575-0.2799 ( 1291 PWs) bands (ev): -28.3101 -28.3101 -22.2384 -22.2384 -9.5931 -9.5931 -7.5294 -7.5294 -7.1702 -7.1702 -4.3357 -4.3357 -3.6274 -3.6274 -0.5308 -0.5308 10.0205 10.0205 12.5385 12.5385 12.8851 12.8851 k = 0.4394 0.2620-0.2848 ( 1291 PWs) bands (ev): -28.3085 -28.3085 -22.2399 -22.2399 -9.5859 -9.5859 -7.5359 -7.5359 -7.1738 -7.1738 -4.3424 -4.3424 -3.6256 -3.6256 -0.5365 -0.5365 10.1229 10.1229 12.4378 12.4378 12.8901 12.8901 k = 0.4470 0.2666-0.2897 ( 1293 PWs) bands (ev): -28.3071 -28.3071 -22.2411 -22.2411 -9.5795 -9.5795 -7.5417 -7.5417 -7.1770 -7.1770 -4.3483 -4.3483 -3.6240 -3.6240 -0.5417 -0.5417 10.2214 10.2214 12.3409 12.3409 12.8950 12.8950 k = 0.4545 0.2711-0.2946 ( 1297 PWs) bands (ev): -28.3058 -28.3058 -22.2422 -22.2422 -9.5739 -9.5739 -7.5468 -7.5468 -7.1798 -7.1798 -4.3535 -4.3535 -3.6226 -3.6226 -0.5461 -0.5461 10.3148 10.3148 12.2489 12.2489 12.8995 12.8995 k = 0.4621 0.2756-0.2996 ( 1297 PWs) bands (ev): -28.3048 -28.3048 -22.2432 -22.2432 -9.5691 -9.5691 -7.5510 -7.5510 -7.1822 -7.1822 -4.3579 -4.3579 -3.6214 -3.6214 -0.5499 -0.5499 10.4015 10.4015 12.1636 12.1636 12.9035 12.9035 k = 0.4697 0.2801-0.3045 ( 1300 PWs) bands (ev): -28.3039 -28.3039 -22.2439 -22.2439 -9.5652 -9.5652 -7.5546 -7.5546 -7.1842 -7.1842 -4.3615 -4.3615 -3.6204 -3.6204 -0.5530 -0.5530 10.4793 10.4793 12.0869 12.0869 12.9069 12.9069 k = 0.4773 0.2846-0.3094 ( 1298 PWs) bands (ev): -28.3032 -28.3032 -22.2445 -22.2445 -9.5621 -9.5621 -7.5573 -7.5573 -7.1857 -7.1857 -4.3643 -4.3643 -3.6196 -3.6196 -0.5554 -0.5554 10.5454 10.5454 12.0217 12.0217 12.9097 12.9097 k = 0.4848 0.2891-0.3143 ( 1298 PWs) bands (ev): -28.3028 -28.3028 -22.2450 -22.2450 -9.5599 -9.5599 -7.5593 -7.5593 -7.1868 -7.1868 -4.3663 -4.3663 -3.6191 -3.6191 -0.5572 -0.5572 10.5965 10.5965 11.9713 11.9713 12.9117 12.9117 k = 0.4924 0.2937-0.3192 ( 1296 PWs) bands (ev): -28.3025 -28.3025 -22.2452 -22.2452 -9.5586 -9.5586 -7.5605 -7.5605 -7.1874 -7.1874 -4.3675 -4.3675 -3.6187 -3.6187 -0.5582 -0.5582 10.6290 10.6290 11.9392 11.9392 12.9130 12.9130 k = 0.5000 0.2982-0.3241 ( 1296 PWs) bands (ev): -28.3024 -28.3024 -22.2453 -22.2453 -9.5582 -9.5582 -7.5608 -7.5608 -7.1877 -7.1877 -4.3679 -4.3679 -3.6186 -3.6186 -0.5586 -0.5586 10.6402 10.6402 11.9282 11.9282 12.9134 12.9134 k = 0.5000 0.2982-0.3241 ( 1296 PWs) bands (ev): -28.3024 -28.3024 -22.2453 -22.2453 -9.5582 -9.5582 -7.5608 -7.5608 -7.1877 -7.1877 -4.3679 -4.3679 -3.6186 -3.6186 -0.5586 -0.5586 10.6402 10.6402 11.9282 11.9282 12.9134 12.9134 k = 0.5040 0.3006-0.3157 ( 1296 PWs) bands (ev): -28.3024 -28.3024 -22.2453 -22.2453 -9.5583 -9.5583 -7.5609 -7.5609 -7.1874 -7.1874 -4.3677 -4.3677 -3.6189 -3.6189 -0.5584 -0.5584 10.6413 10.6413 11.9272 11.9272 12.9069 12.9069 k = 0.5080 0.3030-0.3074 ( 1298 PWs) bands (ev): -28.3025 -28.3025 -22.2452 -22.2452 -9.5587 -9.5587 -7.5609 -7.5609 -7.1868 -7.1868 -4.3668 -4.3668 -3.6197 -3.6197 -0.5579 -0.5579 10.6445 10.6445 11.9243 11.9243 12.8879 12.8879 k = 0.5120 0.3053-0.2990 ( 1302 PWs) bands (ev): -28.3026 -28.3026 -22.2452 -22.2452 -9.5594 -9.5594 -7.5610 -7.5610 -7.1857 -7.1857 -4.3653 -4.3653 -3.6211 -3.6211 -0.5571 -0.5571 10.6498 10.6498 11.9192 11.9192 12.8576 12.8576 k = 0.5160 0.3077-0.2906 ( 1300 PWs) bands (ev): -28.3028 -28.3028 -22.2450 -22.2450 -9.5604 -9.5604 -7.5610 -7.5610 -7.1842 -7.1842 -4.3632 -4.3632 -3.6230 -3.6230 -0.5559 -0.5559 10.6573 10.6573 11.9116 11.9116 12.8177 12.8177 k = 0.5200 0.3101-0.2822 ( 1300 PWs) bands (ev): -28.3030 -28.3030 -22.2449 -22.2449 -9.5616 -9.5616 -7.5612 -7.5612 -7.1823 -7.1823 -4.3605 -4.3605 -3.6255 -3.6255 -0.5544 -0.5544 10.6669 10.6669 11.9009 11.9009 12.7705 12.7705 k = 0.5240 0.3125-0.2739 ( 1301 PWs) bands (ev): -28.3033 -28.3033 -22.2446 -22.2446 -9.5631 -9.5631 -7.5614 -7.5614 -7.1800 -7.1800 -4.3572 -4.3572 -3.6285 -3.6285 -0.5526 -0.5526 10.6786 10.6786 11.8864 11.8864 12.7183 12.7183 k = 0.5280 0.3149-0.2655 ( 1298 PWs) bands (ev): -28.3036 -28.3036 -22.2444 -22.2444 -9.5648 -9.5648 -7.5616 -7.5616 -7.1772 -7.1772 -4.3533 -4.3533 -3.6320 -3.6320 -0.5504 -0.5504 10.6925 10.6925 11.8672 11.8672 12.6637 12.6637 k = 0.5320 0.3173-0.2571 ( 1294 PWs) bands (ev): -28.3040 -28.3040 -22.2441 -22.2441 -9.5669 -9.5669 -7.5620 -7.5620 -7.1740 -7.1740 -4.3487 -4.3487 -3.6360 -3.6360 -0.5480 -0.5480 10.7085 10.7085 11.8421 11.8421 12.6091 12.6091 k = 0.5360 0.3197-0.2488 ( 1294 PWs) bands (ev): -28.3044 -28.3044 -22.2437 -22.2437 -9.5692 -9.5692 -7.5624 -7.5624 -7.1705 -7.1705 -4.3435 -4.3435 -3.6405 -3.6405 -0.5452 -0.5452 10.7267 10.7267 11.8098 11.8098 12.5571 12.5571 k = 0.5400 0.3221-0.2404 ( 1293 PWs) bands (ev): -28.3049 -28.3049 -22.2433 -22.2433 -9.5717 -9.5717 -7.5630 -7.5630 -7.1665 -7.1665 -4.3376 -4.3376 -3.6454 -3.6454 -0.5422 -0.5422 10.7471 10.7471 11.7694 11.7694 12.5098 12.5098 k = 0.5440 0.3244-0.2320 ( 1293 PWs) bands (ev): -28.3055 -28.3055 -22.2428 -22.2428 -9.5746 -9.5746 -7.5637 -7.5637 -7.1622 -7.1622 -4.3310 -4.3310 -3.6509 -3.6509 -0.5388 -0.5388 10.7696 10.7696 11.7199 11.7199 12.4688 12.4688 k = 0.5480 0.3268-0.2236 ( 1295 PWs) bands (ev): -28.3061 -28.3061 -22.2422 -22.2422 -9.5777 -9.5777 -7.5646 -7.5646 -7.1575 -7.1575 -4.3238 -4.3238 -3.6567 -3.6567 -0.5352 -0.5352 10.7942 10.7942 11.6611 11.6611 12.4351 12.4351 k = 0.5520 0.3292-0.2153 ( 1295 PWs) bands (ev): -28.3068 -28.3068 -22.2416 -22.2416 -9.5811 -9.5811 -7.5656 -7.5656 -7.1524 -7.1524 -4.3158 -4.3158 -3.6630 -3.6630 -0.5313 -0.5313 10.8210 10.8210 11.5935 11.5935 12.4088 12.4088 k = 0.5560 0.3316-0.2069 ( 1293 PWs) bands (ev): -28.3075 -28.3075 -22.2408 -22.2408 -9.5848 -9.5848 -7.5668 -7.5668 -7.1470 -7.1470 -4.3072 -4.3072 -3.6697 -3.6697 -0.5271 -0.5271 10.8500 10.8500 11.5179 11.5179 12.3896 12.3896 k = 0.5601 0.3340-0.1985 ( 1293 PWs) bands (ev): -28.3083 -28.3083 -22.2400 -22.2400 -9.5887 -9.5887 -7.5681 -7.5681 -7.1413 -7.1413 -4.2979 -4.2979 -3.6768 -3.6768 -0.5227 -0.5227 10.8811 10.8811 11.4355 11.4355 12.3768 12.3768 k = 0.5601 0.3340-0.1985 ( 1293 PWs) bands (ev): -28.3083 -28.3083 -22.2400 -22.2400 -9.5887 -9.5887 -7.5681 -7.5681 -7.1413 -7.1413 -4.2979 -4.2979 -3.6768 -3.6768 -0.5227 -0.5227 10.8811 10.8811 11.4355 11.4355 12.3768 12.3768 k = 0.5582 0.3329-0.1887 ( 1299 PWs) bands (ev): -28.3094 -28.3094 -22.2359 -22.2359 -9.5996 -9.5996 -7.5743 -7.5743 -7.1354 -7.1354 -4.2912 -4.2912 -3.6870 -3.6870 -0.5094 -0.5094 10.9007 10.9007 11.4015 11.4015 12.3871 12.3871 k = 0.5564 0.3318-0.1789 ( 1297 PWs) bands (ev): -28.3105 -28.3105 -22.2314 -22.2314 -9.6113 -9.6113 -7.5809 -7.5809 -7.1290 -7.1290 -4.2838 -4.2838 -3.6977 -3.6977 -0.4951 -0.4951 10.9074 10.9074 11.3753 11.3753 12.4062 12.4062 k = 0.5546 0.3307-0.1691 ( 1299 PWs) bands (ev): -28.3118 -28.3118 -22.2267 -22.2267 -9.6238 -9.6238 -7.5878 -7.5878 -7.1223 -7.1223 -4.2757 -4.2757 -3.7090 -3.7090 -0.4800 -0.4800 10.9016 10.9016 11.3559 11.3559 12.4350 12.4350 k = 0.5528 0.3297-0.1592 ( 1299 PWs) bands (ev): -28.3132 -28.3132 -22.2216 -22.2216 -9.6370 -9.6370 -7.5952 -7.5952 -7.1152 -7.1152 -4.2670 -4.2670 -3.7208 -3.7208 -0.4641 -0.4641 10.8849 10.8849 11.3410 11.3410 12.4738 12.4738 k = 0.5510 0.3286-0.1494 ( 1298 PWs) bands (ev): -28.3146 -28.3146 -22.2162 -22.2162 -9.6508 -9.6508 -7.6029 -7.6029 -7.1077 -7.1077 -4.2577 -4.2577 -3.7330 -3.7330 -0.4475 -0.4475 10.8602 10.8602 11.3281 11.3281 12.5227 12.5227 k = 0.5491 0.3275-0.1396 ( 1298 PWs) bands (ev): -28.3162 -28.3162 -22.2106 -22.2106 -9.6652 -9.6652 -7.6110 -7.6110 -7.1000 -7.1000 -4.2477 -4.2477 -3.7457 -3.7457 -0.4304 -0.4304 10.8299 10.8299 11.3152 11.3152 12.5813 12.5813 k = 0.5473 0.3264-0.1298 ( 1302 PWs) bands (ev): -28.3178 -28.3178 -22.2048 -22.2048 -9.6800 -9.6800 -7.6194 -7.6194 -7.0919 -7.0919 -4.2372 -4.2372 -3.7587 -3.7587 -0.4128 -0.4128 10.7962 10.7962 11.3006 11.3006 12.6491 12.6491 k = 0.5455 0.3253-0.1199 ( 1304 PWs) bands (ev): -28.3195 -28.3195 -22.1988 -22.1988 -9.6952 -9.6952 -7.6281 -7.6281 -7.0837 -7.0837 -4.2263 -4.2263 -3.7720 -3.7720 -0.3949 -0.3949 10.7606 10.7606 11.2838 11.2838 12.7254 12.7254 k = 0.5437 0.3242-0.1101 ( 1304 PWs) bands (ev): -28.3213 -28.3213 -22.1926 -22.1926 -9.7105 -9.7105 -7.6371 -7.6371 -7.0752 -7.0752 -4.2148 -4.2148 -3.7855 -3.7855 -0.3767 -0.3767 10.7241 10.7241 11.2646 11.2646 12.8094 12.8094 k = 0.5419 0.3231-0.1003 ( 1302 PWs) bands (ev): -28.3230 -28.3230 -22.1863 -22.1863 -9.7261 -9.7261 -7.6463 -7.6463 -7.0666 -7.0666 -4.2030 -4.2030 -3.7991 -3.7991 -0.3583 -0.3583 10.6877 10.6877 11.2431 11.2431 12.9003 12.9003 k = 0.5400 0.3221-0.0905 ( 1299 PWs) bands (ev): -28.3248 -28.3248 -22.1800 -22.1800 -9.7417 -9.7417 -7.6556 -7.6556 -7.0579 -7.0579 -4.1909 -4.1909 -3.8129 -3.8129 -0.3400 -0.3400 10.6518 10.6518 11.2195 11.2195 12.9974 12.9974 k = 0.5382 0.3210-0.0807 ( 1299 PWs) bands (ev): -28.3267 -28.3267 -22.1736 -22.1736 -9.7573 -9.7573 -7.6651 -7.6651 -7.0492 -7.0492 -4.1786 -4.1786 -3.8267 -3.8267 -0.3217 -0.3217 10.6167 10.6167 11.1943 11.1943 13.1000 13.1000 k = 0.5364 0.3199-0.0708 ( 1295 PWs) bands (ev): -28.3285 -28.3285 -22.1672 -22.1672 -9.7727 -9.7727 -7.6747 -7.6747 -7.0403 -7.0403 -4.1661 -4.1661 -3.8404 -3.8404 -0.3035 -0.3035 10.5828 10.5828 11.1678 11.1678 13.2078 13.2078 k = 0.5346 0.3188-0.0610 ( 1291 PWs) bands (ev): -28.3303 -28.3303 -22.1608 -22.1608 -9.7880 -9.7880 -7.6842 -7.6842 -7.0315 -7.0315 -4.1535 -4.1535 -3.8540 -3.8540 -0.2856 -0.2856 10.5502 10.5502 11.1404 11.1404 13.3201 13.3201 k = 0.5328 0.3177-0.0512 ( 1291 PWs) bands (ev): -28.3321 -28.3321 -22.1545 -22.1545 -9.8031 -9.8031 -7.6937 -7.6937 -7.0228 -7.0228 -4.1410 -4.1410 -3.8674 -3.8674 -0.2681 -0.2681 10.5191 10.5191 11.1124 11.1124 13.4366 13.4366 k = 0.5309 0.3166-0.0414 ( 1289 PWs) bands (ev): -28.3339 -28.3339 -22.1483 -22.1483 -9.8178 -9.8178 -7.7032 -7.7032 -7.0142 -7.0142 -4.1286 -4.1286 -3.8806 -3.8806 -0.2510 -0.2510 10.4895 10.4895 11.0843 11.0843 13.5569 13.5569 k = 0.5291 0.3155-0.0316 ( 1287 PWs) bands (ev): -28.3356 -28.3356 -22.1422 -22.1422 -9.8321 -9.8321 -7.7124 -7.7124 -7.0058 -7.0058 -4.1164 -4.1164 -3.8934 -3.8934 -0.2344 -0.2344 10.4616 10.4616 11.0562 11.0562 13.6808 13.6808 k = 0.5273 0.3145-0.0217 ( 1291 PWs) bands (ev): -28.3373 -28.3373 -22.1363 -22.1363 -9.8459 -9.8459 -7.7214 -7.7214 -6.9975 -6.9975 -4.1045 -4.1045 -3.9058 -3.9058 -0.2184 -0.2184 10.4354 10.4354 11.0285 11.0285 13.8079 13.8079 k = 0.5255 0.3134-0.0119 ( 1294 PWs) bands (ev): -28.3390 -28.3390 -22.1306 -22.1306 -9.8591 -9.8591 -7.7302 -7.7302 -6.9896 -6.9896 -4.0930 -4.0930 -3.9176 -3.9176 -0.2030 -0.2030 10.4110 10.4110 11.0013 11.0013 13.9380 13.9380 k = 0.5237 0.3123-0.0021 ( 1292 PWs) bands (ev): -28.3406 -28.3406 -22.1252 -22.1252 -9.8717 -9.8717 -7.7386 -7.7386 -6.9819 -6.9819 -4.0821 -4.0821 -3.9289 -3.9289 -0.1885 -0.1885 10.3883 10.3883 10.9750 10.9750 14.0709 14.0709 k = 0.5218 0.3112 0.0077 ( 1292 PWs) bands (ev): -28.3420 -28.3420 -22.1200 -22.1200 -9.8837 -9.8837 -7.7466 -7.7466 -6.9745 -6.9745 -4.0717 -4.0717 -3.9395 -3.9395 -0.1747 -0.1747 10.3674 10.3674 10.9497 10.9497 14.2061 14.2061 k = 0.5200 0.3101 0.0176 ( 1292 PWs) bands (ev): -28.3435 -28.3435 -22.1151 -22.1151 -9.8949 -9.8949 -7.7542 -7.7542 -6.9676 -6.9676 -4.0621 -4.0621 -3.9492 -3.9492 -0.1618 -0.1618 10.3482 10.3482 10.9257 10.9257 14.3435 14.3435 k = 0.5182 0.3090 0.0274 ( 1292 PWs) bands (ev): -28.3448 -28.3448 -22.1106 -22.1106 -9.9053 -9.9053 -7.7613 -7.7613 -6.9611 -6.9611 -4.0534 -4.0534 -3.9580 -3.9580 -0.1498 -0.1498 10.3308 10.3308 10.9031 10.9031 14.4825 14.4825 k = 0.5164 0.3079 0.0372 ( 1292 PWs) bands (ev): -28.3460 -28.3460 -22.1064 -22.1064 -9.9149 -9.9149 -7.7678 -7.7678 -6.9551 -6.9551 -4.0458 -4.0458 -3.9657 -3.9657 -0.1388 -0.1388 10.3152 10.3152 10.8821 10.8821 14.6227 14.6227 k = 0.5146 0.3069 0.0470 ( 1291 PWs) bands (ev): -28.3471 -28.3471 -22.1025 -22.1025 -9.9236 -9.9236 -7.7739 -7.7739 -6.9496 -6.9496 -4.0394 -4.0394 -3.9722 -3.9722 -0.1288 -0.1288 10.3013 10.3013 10.8628 10.8628 14.7633 14.7633 k = 0.5127 0.3058 0.0568 ( 1297 PWs) bands (ev): -28.3481 -28.3481 -22.0991 -22.0991 -9.9314 -9.9314 -7.7792 -7.7792 -6.9446 -6.9446 -4.0344 -4.0344 -3.9771 -3.9771 -0.1199 -0.1199 10.2892 10.2892 10.8455 10.8455 14.9034 14.9034 k = 0.5109 0.3047 0.0667 ( 1295 PWs) bands (ev): -28.3489 -28.3489 -22.0961 -22.0961 -9.9381 -9.9381 -7.7840 -7.7840 -6.9402 -6.9402 -4.0311 -4.0311 -3.9804 -3.9804 -0.1121 -0.1121 10.2787 10.2787 10.8302 10.8302 15.0415 15.0415 k = 0.5091 0.3036 0.0765 ( 1299 PWs) bands (ev): -28.3497 -28.3497 -22.0935 -22.0935 -9.9439 -9.9439 -7.7880 -7.7880 -6.9365 -6.9365 -4.0294 -4.0294 -3.9821 -3.9821 -0.1055 -0.1055 10.2699 10.2699 10.8170 10.8170 15.1756 15.1756 k = 0.5073 0.3025 0.0863 ( 1297 PWs) bands (ev): -28.3503 -28.3503 -22.0914 -22.0914 -9.9487 -9.9487 -7.7914 -7.7914 -6.9334 -6.9334 -4.0289 -4.0289 -3.9826 -3.9826 -0.1000 -0.1000 10.2627 10.2627 10.8061 10.8061 15.3024 15.3024 k = 0.5055 0.3014 0.0961 ( 1296 PWs) bands (ev): -28.3508 -28.3508 -22.0897 -22.0897 -9.9525 -9.9525 -7.7940 -7.7940 -6.9310 -6.9310 -4.0291 -4.0291 -3.9823 -3.9823 -0.0957 -0.0957 10.2571 10.2571 10.7975 10.7975 15.4168 15.4168 k = 0.5036 0.3004 0.1059 ( 1296 PWs) bands (ev): -28.3511 -28.3511 -22.0885 -22.0885 -9.9552 -9.9552 -7.7959 -7.7959 -6.9292 -6.9292 -4.0296 -4.0296 -3.9818 -3.9818 -0.0927 -0.0927 10.2532 10.2532 10.7913 10.7913 15.5111 15.5111 k = 0.5018 0.2993 0.1158 ( 1296 PWs) bands (ev): -28.3513 -28.3513 -22.0878 -22.0878 -9.9568 -9.9568 -7.7970 -7.7970 -6.9282 -6.9282 -4.0301 -4.0301 -3.9814 -3.9814 -0.0908 -0.0908 10.2508 10.2508 10.7876 10.7876 15.5750 15.5750 k = 0.5000 0.2982 0.1256 ( 1292 PWs) bands (ev): -28.3514 -28.3514 -22.0875 -22.0875 -9.9573 -9.9573 -7.7974 -7.7974 -6.9278 -6.9278 -4.0303 -4.0303 -3.9812 -3.9812 -0.0902 -0.0902 10.2501 10.2501 10.7863 10.7863 15.5978 15.5978 k = 0.5000 0.2982 0.1256 ( 1292 PWs) bands (ev): -28.3514 -28.3514 -22.0875 -22.0875 -9.9573 -9.9573 -7.7974 -7.7974 -6.9278 -6.9278 -4.0303 -4.0303 -3.9812 -3.9812 -0.0902 -0.0902 10.2501 10.2501 10.7863 10.7863 15.5978 15.5978 k = 0.5051 0.2896 0.1256 ( 1292 PWs) bands (ev): -28.3513 -28.3513 -22.0876 -22.0876 -9.9572 -9.9572 -7.7971 -7.7971 -6.9283 -6.9283 -4.0304 -4.0304 -3.9812 -3.9812 -0.0904 -0.0904 10.2505 10.2505 10.7881 10.7881 15.5969 15.5969 k = 0.5102 0.2810 0.1256 ( 1294 PWs) bands (ev): -28.3513 -28.3513 -22.0877 -22.0877 -9.9567 -9.9567 -7.7962 -7.7962 -6.9299 -6.9299 -4.0308 -4.0308 -3.9812 -3.9812 -0.0908 -0.0908 10.2520 10.2520 10.7936 10.7936 15.5942 15.5942 k = 0.5154 0.2724 0.1256 ( 1296 PWs) bands (ev): -28.3511 -28.3511 -22.0880 -22.0880 -9.9560 -9.9560 -7.7947 -7.7947 -6.9325 -6.9325 -4.0315 -4.0315 -3.9811 -3.9811 -0.0916 -0.0916 10.2545 10.2545 10.8027 10.8027 15.5895 15.5895 k = 0.5205 0.2638 0.1256 ( 1298 PWs) bands (ev): -28.3509 -28.3509 -22.0883 -22.0883 -9.9549 -9.9549 -7.7926 -7.7926 -6.9362 -6.9362 -4.0325 -4.0325 -3.9810 -3.9810 -0.0926 -0.0926 10.2580 10.2580 10.8153 10.8153 15.5827 15.5827 k = 0.5256 0.2552 0.1256 ( 1302 PWs) bands (ev): -28.3506 -28.3506 -22.0888 -22.0888 -9.9535 -9.9535 -7.7900 -7.7900 -6.9408 -6.9408 -4.0339 -4.0339 -3.9807 -3.9807 -0.0939 -0.0939 10.2625 10.2625 10.8315 10.8315 15.5735 15.5735 k = 0.5307 0.2466 0.1256 ( 1306 PWs) bands (ev): -28.3503 -28.3503 -22.0893 -22.0893 -9.9519 -9.9519 -7.7867 -7.7867 -6.9465 -6.9465 -4.0358 -4.0358 -3.9803 -3.9803 -0.0956 -0.0956 10.2679 10.2679 10.8511 10.8511 15.5616 15.5616 k = 0.5359 0.2381 0.1256 ( 1306 PWs) bands (ev): -28.3498 -28.3498 -22.0900 -22.0900 -9.9499 -9.9499 -7.7829 -7.7829 -6.9531 -6.9531 -4.0380 -4.0380 -3.9796 -3.9796 -0.0975 -0.0975 10.2744 10.2744 10.8741 10.8741 15.5468 15.5468 k = 0.5410 0.2295 0.1256 ( 1306 PWs) bands (ev): -28.3494 -28.3494 -22.0907 -22.0907 -9.9477 -9.9477 -7.7784 -7.7784 -6.9606 -6.9606 -4.0408 -4.0408 -3.9787 -3.9787 -0.0998 -0.0998 10.2819 10.2819 10.9003 10.9003 15.5284 15.5284 k = 0.5461 0.2209 0.1256 ( 1308 PWs) bands (ev): -28.3488 -28.3488 -22.0916 -22.0916 -9.9452 -9.9452 -7.7735 -7.7735 -6.9691 -6.9691 -4.0440 -4.0440 -3.9774 -3.9774 -0.1023 -0.1023 10.2905 10.2905 10.9297 10.9297 15.5062 15.5062 k = 0.5512 0.2123 0.1256 ( 1308 PWs) bands (ev): -28.3482 -28.3482 -22.0926 -22.0926 -9.9423 -9.9423 -7.7679 -7.7679 -6.9784 -6.9784 -4.0478 -4.0478 -3.9759 -3.9759 -0.1052 -0.1052 10.3000 10.3000 10.9622 10.9622 15.4796 15.4796 k = 0.5563 0.2037 0.1256 ( 1306 PWs) bands (ev): -28.3476 -28.3476 -22.0936 -22.0936 -9.9392 -9.9392 -7.7618 -7.7618 -6.9885 -6.9885 -4.0520 -4.0520 -3.9740 -3.9740 -0.1083 -0.1083 10.3106 10.3106 10.9975 10.9975 15.4481 15.4481 k = 0.5615 0.1951 0.1256 ( 1306 PWs) bands (ev): -28.3469 -28.3469 -22.0948 -22.0948 -9.9358 -9.9358 -7.7551 -7.7551 -6.9993 -6.9993 -4.0567 -4.0567 -3.9717 -3.9717 -0.1117 -0.1117 10.3223 10.3223 11.0355 11.0355 15.4112 15.4112 k = 0.5666 0.1865 0.1256 ( 1310 PWs) bands (ev): -28.3462 -28.3462 -22.0961 -22.0961 -9.9322 -9.9322 -7.7480 -7.7480 -7.0110 -7.0110 -4.0618 -4.0618 -3.9691 -3.9691 -0.1155 -0.1155 10.3350 10.3350 11.0760 11.0760 15.3686 15.3686 k = 0.5717 0.1779 0.1256 ( 1308 PWs) bands (ev): -28.3454 -28.3454 -22.0975 -22.0975 -9.9282 -9.9282 -7.7403 -7.7403 -7.0232 -7.0232 -4.0673 -4.0673 -3.9663 -3.9663 -0.1195 -0.1195 10.3487 10.3487 11.1188 11.1188 15.3199 15.3199 k = 0.5768 0.1693 0.1256 ( 1308 PWs) bands (ev): -28.3446 -28.3446 -22.0990 -22.0990 -9.9240 -9.9240 -7.7320 -7.7320 -7.0361 -7.0361 -4.0731 -4.0731 -3.9631 -3.9631 -0.1239 -0.1239 10.3636 10.3636 11.1637 11.1637 15.2650 15.2650 k = 0.5820 0.1608 0.1256 ( 1308 PWs) bands (ev): -28.3437 -28.3437 -22.1006 -22.1006 -9.9195 -9.9195 -7.7233 -7.7233 -7.0495 -7.0495 -4.0792 -4.0792 -3.9596 -3.9596 -0.1285 -0.1285 10.3796 10.3796 11.2104 11.2104 15.2038 15.2038 k = 0.5871 0.1522 0.1256 ( 1308 PWs) bands (ev): -28.3428 -28.3428 -22.1024 -22.1024 -9.9147 -9.9147 -7.7141 -7.7141 -7.0635 -7.0635 -4.0856 -4.0856 -3.9559 -3.9559 -0.1335 -0.1335 10.3966 10.3966 11.2587 11.2587 15.1364 15.1364 k = 0.5922 0.1436 0.1256 ( 1308 PWs) bands (ev): -28.3419 -28.3419 -22.1042 -22.1042 -9.9097 -9.9097 -7.7045 -7.7045 -7.0778 -7.0778 -4.0922 -4.0922 -3.9520 -3.9520 -0.1387 -0.1387 10.4148 10.4148 11.3083 11.3083 15.0630 15.0630 k = 0.5973 0.1350 0.1256 ( 1308 PWs) bands (ev): -28.3410 -28.3410 -22.1062 -22.1062 -9.9045 -9.9045 -7.6944 -7.6944 -7.0926 -7.0926 -4.0989 -4.0989 -3.9477 -3.9477 -0.1443 -0.1443 10.4341 10.4341 11.3588 11.3588 14.9840 14.9840 k = 0.6024 0.1264 0.1256 ( 1310 PWs) bands (ev): -28.3400 -28.3400 -22.1083 -22.1083 -9.8990 -9.8990 -7.6838 -7.6838 -7.1076 -7.1076 -4.1058 -4.1058 -3.9433 -3.9433 -0.1501 -0.1501 10.4546 10.4546 11.4098 11.4098 14.8998 14.8998 k = 0.6076 0.1178 0.1256 ( 1314 PWs) bands (ev): -28.3391 -28.3391 -22.1105 -22.1105 -9.8932 -9.8932 -7.6728 -7.6728 -7.1229 -7.1229 -4.1128 -4.1128 -3.9386 -3.9386 -0.1563 -0.1563 10.4763 10.4763 11.4611 11.4611 14.8110 14.8110 k = 0.6127 0.1092 0.1256 ( 1314 PWs) bands (ev): -28.3381 -28.3381 -22.1128 -22.1128 -9.8873 -9.8873 -7.6614 -7.6614 -7.1384 -7.1384 -4.1197 -4.1197 -3.9338 -3.9338 -0.1627 -0.1627 10.4991 10.4991 11.5122 11.5122 14.7181 14.7181 k = 0.6178 0.1006 0.1256 ( 1314 PWs) bands (ev): -28.3371 -28.3371 -22.1153 -22.1153 -9.8810 -9.8810 -7.6497 -7.6497 -7.1540 -7.1540 -4.1267 -4.1267 -3.9288 -3.9288 -0.1695 -0.1695 10.5231 10.5231 11.5626 11.5626 14.6216 14.6216 k = 0.6229 0.0921 0.1256 ( 1312 PWs) bands (ev): -28.3361 -28.3361 -22.1179 -22.1179 -9.8746 -9.8746 -7.6375 -7.6375 -7.1697 -7.1697 -4.1336 -4.1336 -3.9235 -3.9235 -0.1765 -0.1765 10.5483 10.5483 11.6119 11.6119 14.5219 14.5219 k = 0.6281 0.0835 0.1256 ( 1312 PWs) bands (ev): -28.3351 -28.3351 -22.1206 -22.1206 -9.8680 -9.8680 -7.6250 -7.6250 -7.1853 -7.1853 -4.1404 -4.1404 -3.9181 -3.9181 -0.1839 -0.1839 10.5748 10.5748 11.6595 11.6595 14.4198 14.4198 k = 0.6332 0.0749 0.1256 ( 1312 PWs) bands (ev): -28.3341 -28.3341 -22.1234 -22.1234 -9.8611 -9.8611 -7.6122 -7.6122 -7.2009 -7.2009 -4.1471 -4.1471 -3.9126 -3.9126 -0.1915 -0.1915 10.6024 10.6024 11.7049 11.7049 14.3155 14.3155 k = 0.6383 0.0663 0.1256 ( 1310 PWs) bands (ev): -28.3331 -28.3331 -22.1264 -22.1264 -9.8541 -9.8541 -7.5991 -7.5991 -7.2163 -7.2163 -4.1535 -4.1535 -3.9069 -3.9069 -0.1995 -0.1995 10.6313 10.6313 11.7476 11.7476 14.2096 14.2096 k = 0.6434 0.0577 0.1256 ( 1310 PWs) bands (ev): -28.3322 -28.3322 -22.1294 -22.1294 -9.8468 -9.8468 -7.5856 -7.5856 -7.2316 -7.2316 -4.1598 -4.1598 -3.9011 -3.9011 -0.2077 -0.2077 10.6614 10.6614 11.7868 11.7868 14.1024 14.1024 k = 0.6485 0.0491 0.1256 ( 1310 PWs) bands (ev): -28.3312 -28.3312 -22.1327 -22.1327 -9.8394 -9.8394 -7.5719 -7.5719 -7.2466 -7.2466 -4.1658 -4.1658 -3.8951 -3.8951 -0.2163 -0.2163 10.6928 10.6928 11.8219 11.8219 13.9943 13.9943 k = 0.6537 0.0405 0.1256 ( 1306 PWs) bands (ev): -28.3303 -28.3303 -22.1360 -22.1360 -9.8317 -9.8317 -7.5580 -7.5580 -7.2612 -7.2612 -4.1714 -4.1714 -3.8891 -3.8891 -0.2251 -0.2251 10.7253 10.7253 11.8524 11.8524 13.8857 13.8857 k = 0.6588 0.0319 0.1256 ( 1304 PWs) bands (ev): -28.3295 -28.3295 -22.1395 -22.1395 -9.8239 -9.8239 -7.5438 -7.5438 -7.2755 -7.2755 -4.1767 -4.1767 -3.8829 -3.8829 -0.2342 -0.2342 10.7590 10.7590 11.8775 11.8775 13.7769 13.7769 k = 0.6639 0.0233 0.1256 ( 1300 PWs) bands (ev): -28.3286 -28.3286 -22.1430 -22.1430 -9.8160 -9.8160 -7.5295 -7.5295 -7.2894 -7.2894 -4.1816 -4.1816 -3.8766 -3.8766 -0.2436 -0.2436 10.7938 10.7938 11.8965 11.8965 13.6682 13.6682 k = 0.6690 0.0148 0.1256 ( 1300 PWs) bands (ev): -28.3278 -28.3278 -22.1468 -22.1468 -9.8078 -9.8078 -7.5150 -7.5150 -7.3027 -7.3027 -4.1861 -4.1861 -3.8703 -3.8703 -0.2533 -0.2533 10.8297 10.8297 11.9089 11.9089 13.5599 13.5599 k = 0.6742 0.0062 0.1256 ( 1300 PWs) bands (ev): -28.3270 -28.3270 -22.1506 -22.1506 -9.7996 -9.7996 -7.5003 -7.5003 -7.3155 -7.3155 -4.1902 -4.1902 -3.8639 -3.8639 -0.2633 -0.2633 10.8666 10.8666 11.9142 11.9142 13.4524 13.4524 k = 0.6793-0.0024 0.1256 ( 1300 PWs) bands (ev): -28.3263 -28.3263 -22.1546 -22.1546 -9.7912 -9.7912 -7.4856 -7.4856 -7.3276 -7.3276 -4.1937 -4.1937 -3.8574 -3.8574 -0.2736 -0.2736 10.9043 10.9043 11.9118 11.9118 13.3459 13.3459 k = 0.6844-0.0110 0.1256 ( 1296 PWs) bands (ev): -28.3256 -28.3256 -22.1587 -22.1587 -9.7826 -9.7826 -7.4709 -7.4709 -7.3390 -7.3390 -4.1968 -4.1968 -3.8509 -3.8509 -0.2841 -0.2841 10.9428 10.9428 11.9015 11.9015 13.2408 13.2408 k = 0.6895-0.0196 0.1256 ( 1294 PWs) bands (ev): -28.3250 -28.3250 -22.1629 -22.1629 -9.7740 -9.7740 -7.4563 -7.4563 -7.3495 -7.3495 -4.1992 -4.1992 -3.8443 -3.8443 -0.2949 -0.2949 10.9818 10.9818 11.8828 11.8828 13.1375 13.1375 k = 0.6946-0.0282 0.1256 ( 1292 PWs) bands (ev): -28.3244 -28.3244 -22.1672 -22.1672 -9.7652 -9.7652 -7.4420 -7.4420 -7.3590 -7.3590 -4.2011 -4.2011 -3.8377 -3.8377 -0.3060 -0.3060 11.0210 11.0210 11.8559 11.8559 13.0364 13.0364 k = 0.6998-0.0368 0.1256 ( 1294 PWs) bands (ev): -28.3240 -28.3240 -22.1717 -22.1717 -9.7563 -9.7563 -7.4284 -7.4284 -7.3669 -7.3669 -4.2024 -4.2024 -3.8310 -3.8310 -0.3174 -0.3174 11.0601 11.0601 11.8206 11.8206 12.9380 12.9380 k = 0.7049-0.0454 0.1256 ( 1292 PWs) bands (ev): -28.3235 -28.3235 -22.1763 -22.1763 -9.7474 -9.7474 -7.4168 -7.4168 -7.3721 -7.3721 -4.2031 -4.2031 -3.8243 -3.8243 -0.3290 -0.3290 11.0986 11.0986 11.7772 11.7772 12.8431 12.8431 k = 0.7100-0.0540 0.1256 ( 1294 PWs) bands (ev): -28.3231 -28.3231 -22.1810 -22.1810 -9.7383 -9.7383 -7.4096 -7.4096 -7.3719 -7.3719 -4.2031 -4.2031 -3.8177 -3.8177 -0.3409 -0.3409 11.1357 11.1357 11.7259 11.7259 12.7523 12.7523 k = 0.2900-0.4863 0.4497 ( 1294 PWs) bands (ev): -28.3231 -28.3231 -22.1810 -22.1810 -9.7383 -9.7383 -7.4096 -7.4096 -7.3719 -7.3719 -4.2031 -4.2031 -3.8177 -3.8177 -0.3409 -0.3409 11.1357 11.1357 11.7259 11.7259 12.7523 12.7523 k = 0.2848-0.4776 0.4497 ( 1294 PWs) bands (ev): -28.3228 -28.3228 -22.1858 -22.1858 -9.7291 -9.7291 -7.4088 -7.4088 -7.3645 -7.3645 -4.2024 -4.2024 -3.8109 -3.8109 -0.3532 -0.3532 11.1710 11.1710 11.6665 11.6665 12.6659 12.6659 k = 0.2796-0.4689 0.4497 ( 1290 PWs) bands (ev): -28.3226 -28.3226 -22.1908 -22.1908 -9.7197 -9.7197 -7.4117 -7.4117 -7.3526 -7.3526 -4.2010 -4.2010 -3.8042 -3.8042 -0.3657 -0.3657 11.2029 11.2029 11.6000 11.6000 12.5861 12.5861 k = 0.2745-0.4602 0.4497 ( 1290 PWs) bands (ev): -28.3224 -28.3224 -22.1958 -22.1958 -9.7104 -9.7104 -7.4156 -7.4156 -7.3387 -7.3387 -4.1989 -4.1989 -3.7975 -3.7975 -0.3785 -0.3785 11.2298 11.2298 11.5268 11.5268 12.5146 12.5146 k = 0.2693-0.4515 0.4497 ( 1286 PWs) bands (ev): -28.3223 -28.3223 -22.2010 -22.2010 -9.7009 -9.7009 -7.4194 -7.4194 -7.3241 -7.3241 -4.1961 -4.1961 -3.7908 -3.7908 -0.3915 -0.3915 11.2497 11.2497 11.4477 11.4477 12.4534 12.4534 k = 0.2641-0.4429 0.4497 ( 1284 PWs) bands (ev): -28.3223 -28.3223 -22.2063 -22.2063 -9.6915 -9.6915 -7.4226 -7.4226 -7.3091 -7.3091 -4.1925 -4.1925 -3.7841 -3.7841 -0.4048 -0.4048 11.2607 11.2607 11.3632 11.3632 12.4047 12.4047 k = 0.2589-0.4342 0.4497 ( 1284 PWs) bands (ev): -28.3224 -28.3224 -22.2116 -22.2116 -9.6821 -9.6821 -7.4252 -7.4252 -7.2941 -7.2941 -4.1882 -4.1882 -3.7775 -3.7775 -0.4183 -0.4183 11.2602 11.2602 11.2745 11.2745 12.3707 12.3707 k = 0.2537-0.4255 0.4497 ( 1288 PWs) bands (ev): -28.3225 -28.3225 -22.2171 -22.2171 -9.6726 -9.6726 -7.4269 -7.4269 -7.2790 -7.2790 -4.1831 -4.1831 -3.7709 -3.7709 -0.4320 -0.4320 11.1800 11.1800 11.2487 11.2487 12.3528 12.3528 k = 0.2486-0.4168 0.4497 ( 1290 PWs) bands (ev): -28.3227 -28.3227 -22.2226 -22.2226 -9.6631 -9.6631 -7.4277 -7.4277 -7.2639 -7.2639 -4.1773 -4.1773 -3.7644 -3.7644 -0.4460 -0.4460 11.0828 11.0828 11.2235 11.2235 12.3516 12.3516 k = 0.2434-0.4081 0.4497 ( 1292 PWs) bands (ev): -28.3230 -28.3230 -22.2282 -22.2282 -9.6537 -9.6537 -7.4277 -7.4277 -7.2489 -7.2489 -4.1707 -4.1707 -3.7579 -3.7579 -0.4601 -0.4601 10.9824 10.9824 11.1860 11.1860 12.3666 12.3666 k = 0.2382-0.3994 0.4497 ( 1294 PWs) bands (ev): -28.3234 -28.3234 -22.2338 -22.2338 -9.6443 -9.6443 -7.4267 -7.4267 -7.2341 -7.2341 -4.1634 -4.1634 -3.7515 -3.7515 -0.4745 -0.4745 10.8793 10.8793 11.1379 11.1379 12.3963 12.3963 k = 0.2330-0.3908 0.4497 ( 1292 PWs) bands (ev): -28.3238 -28.3238 -22.2396 -22.2396 -9.6349 -9.6349 -7.4248 -7.4248 -7.2194 -7.2194 -4.1552 -4.1552 -3.7452 -3.7452 -0.4890 -0.4890 10.7740 10.7740 11.0810 11.0810 12.4388 12.4388 k = 0.2279-0.3821 0.4497 ( 1294 PWs) bands (ev): -28.3243 -28.3243 -22.2453 -22.2453 -9.6255 -9.6255 -7.4219 -7.4219 -7.2048 -7.2048 -4.1464 -4.1464 -3.7390 -3.7390 -0.5038 -0.5038 10.6669 10.6669 11.0174 11.0174 12.4923 12.4923 k = 0.2227-0.3734 0.4497 ( 1296 PWs) bands (ev): -28.3249 -28.3249 -22.2511 -22.2511 -9.6162 -9.6162 -7.4181 -7.4181 -7.1905 -7.1905 -4.1368 -4.1368 -3.7329 -3.7329 -0.5187 -0.5187 10.5584 10.5584 10.9488 10.9488 12.5550 12.5550 k = 0.2175-0.3647 0.4497 ( 1298 PWs) bands (ev): -28.3255 -28.3255 -22.2570 -22.2570 -9.6070 -9.6070 -7.4134 -7.4134 -7.1763 -7.1763 -4.1265 -4.1265 -3.7268 -3.7268 -0.5337 -0.5337 10.4488 10.4488 10.8766 10.8766 12.6256 12.6256 k = 0.2123-0.3560 0.4497 ( 1298 PWs) bands (ev): -28.3263 -28.3263 -22.2629 -22.2629 -9.5979 -9.5979 -7.4078 -7.4078 -7.1624 -7.1624 -4.1155 -4.1155 -3.7209 -3.7209 -0.5489 -0.5489 10.3385 10.3385 10.8020 10.8020 12.7030 12.7030 k = 0.2071-0.3473 0.4497 ( 1294 PWs) bands (ev): -28.3271 -28.3271 -22.2688 -22.2688 -9.5888 -9.5888 -7.4013 -7.4013 -7.1487 -7.1487 -4.1037 -4.1037 -3.7151 -3.7151 -0.5642 -0.5642 10.2278 10.2278 10.7258 10.7258 12.7865 12.7865 k = 0.2020-0.3387 0.4497 ( 1290 PWs) bands (ev): -28.3279 -28.3279 -22.2747 -22.2747 -9.5799 -9.5799 -7.3939 -7.3939 -7.1352 -7.1352 -4.0914 -4.0914 -3.7093 -3.7093 -0.5797 -0.5797 10.1169 10.1169 10.6489 10.6489 12.8754 12.8754 k = 0.1968-0.3300 0.4497 ( 1288 PWs) bands (ev): -28.3288 -28.3288 -22.2806 -22.2806 -9.5710 -9.5710 -7.3857 -7.3857 -7.1220 -7.1220 -4.0784 -4.0784 -3.7037 -3.7037 -0.5953 -0.5953 10.0061 10.0061 10.5716 10.5716 12.9692 12.9692 k = 0.1916-0.3213 0.4497 ( 1284 PWs) bands (ev): -28.3298 -28.3298 -22.2866 -22.2866 -9.5623 -9.5623 -7.3766 -7.3766 -7.1091 -7.1091 -4.0647 -4.0647 -3.6982 -3.6982 -0.6109 -0.6109 9.8957 9.8957 10.4944 10.4944 13.0675 13.0675 k = 0.1864-0.3126 0.4497 ( 1286 PWs) bands (ev): -28.3308 -28.3308 -22.2925 -22.2925 -9.5538 -9.5538 -7.3668 -7.3668 -7.0964 -7.0964 -4.0505 -4.0505 -3.6928 -3.6928 -0.6267 -0.6267 9.7858 9.7858 10.4176 10.4176 13.1702 13.1702 k = 0.1812-0.3039 0.4497 ( 1286 PWs) bands (ev): -28.3318 -28.3318 -22.2984 -22.2984 -9.5453 -9.5453 -7.3563 -7.3563 -7.0841 -7.0841 -4.0357 -4.0357 -3.6876 -3.6876 -0.6425 -0.6425 9.6767 9.6767 10.3415 10.3415 13.2769 13.2769 k = 0.1761-0.2952 0.4497 ( 1286 PWs) bands (ev): -28.3330 -28.3330 -22.3043 -22.3043 -9.5371 -9.5371 -7.3450 -7.3450 -7.0720 -7.0720 -4.0205 -4.0205 -3.6824 -3.6824 -0.6584 -0.6584 9.5686 9.5686 10.2663 10.2663 13.3875 13.3875 k = 0.1709-0.2866 0.4497 ( 1288 PWs) bands (ev): -28.3341 -28.3341 -22.3101 -22.3101 -9.5290 -9.5290 -7.3331 -7.3331 -7.0603 -7.0603 -4.0047 -4.0047 -3.6774 -3.6774 -0.6742 -0.6742 9.4616 9.4616 10.1922 10.1922 13.5019 13.5019 k = 0.1657-0.2779 0.4497 ( 1282 PWs) bands (ev): -28.3353 -28.3353 -22.3159 -22.3159 -9.5211 -9.5211 -7.3205 -7.3205 -7.0488 -7.0488 -3.9885 -3.9885 -3.6726 -3.6726 -0.6901 -0.6901 9.3559 9.3559 10.1194 10.1194 13.6200 13.6200 k = 0.1605-0.2692 0.4497 ( 1282 PWs) bands (ev): -28.3365 -28.3365 -22.3216 -22.3216 -9.5133 -9.5133 -7.3073 -7.3073 -7.0377 -7.0377 -3.9719 -3.9719 -3.6678 -3.6678 -0.7060 -0.7060 9.2517 9.2517 10.0479 10.0479 13.7417 13.7417 k = 0.1554-0.2605 0.4497 ( 1282 PWs) bands (ev): -28.3378 -28.3378 -22.3273 -22.3273 -9.5058 -9.5058 -7.2937 -7.2937 -7.0269 -7.0269 -3.9550 -3.9550 -3.6632 -3.6632 -0.7218 -0.7218 9.1492 9.1492 9.9779 9.9779 13.8668 13.8668 k = 0.1502-0.2518 0.4497 ( 1286 PWs) bands (ev): -28.3391 -28.3391 -22.3328 -22.3328 -9.4984 -9.4984 -7.2796 -7.2796 -7.0165 -7.0165 -3.9378 -3.9378 -3.6588 -3.6588 -0.7376 -0.7376 9.0484 9.0484 9.9095 9.9095 13.9954 13.9954 k = 0.1450-0.2431 0.4497 ( 1290 PWs) bands (ev): -28.3404 -28.3404 -22.3383 -22.3383 -9.4913 -9.4913 -7.2651 -7.2651 -7.0064 -7.0064 -3.9203 -3.9203 -3.6544 -3.6544 -0.7534 -0.7534 8.9495 8.9495 9.8428 9.8428 14.1273 14.1273 k = 0.1398-0.2345 0.4497 ( 1292 PWs) bands (ev): -28.3417 -28.3417 -22.3438 -22.3438 -9.4844 -9.4844 -7.2502 -7.2502 -6.9966 -6.9966 -3.9026 -3.9026 -3.6502 -3.6502 -0.7690 -0.7690 8.8527 8.8527 9.7778 9.7778 14.2625 14.2625 k = 0.1346-0.2258 0.4497 ( 1290 PWs) bands (ev): -28.3430 -28.3430 -22.3491 -22.3491 -9.4777 -9.4777 -7.2351 -7.2351 -6.9872 -6.9872 -3.8848 -3.8848 -3.6461 -3.6461 -0.7844 -0.7844 8.7582 8.7582 9.7147 9.7147 14.4009 14.4009 k = 0.1295-0.2171 0.4497 ( 1288 PWs) bands (ev): -28.3443 -28.3443 -22.3542 -22.3542 -9.4712 -9.4712 -7.2197 -7.2197 -6.9781 -6.9781 -3.8670 -3.8670 -3.6422 -3.6422 -0.7998 -0.7998 8.6659 8.6659 9.6534 9.6534 14.5425 14.5425 k = 0.1243-0.2084 0.4497 ( 1290 PWs) bands (ev): -28.3457 -28.3457 -22.3593 -22.3593 -9.4650 -9.4650 -7.2042 -7.2042 -6.9694 -6.9694 -3.8491 -3.8491 -3.6384 -3.6384 -0.8149 -0.8149 8.5762 8.5762 9.5941 9.5941 14.6872 14.6872 k = 0.1191-0.1997 0.4497 ( 1290 PWs) bands (ev): -28.3470 -28.3470 -22.3642 -22.3642 -9.4589 -9.4589 -7.1885 -7.1885 -6.9610 -6.9610 -3.8312 -3.8312 -3.6347 -3.6347 -0.8298 -0.8298 8.4890 8.4890 9.5368 9.5368 14.8349 14.8349 k = 0.1139-0.1910 0.4497 ( 1292 PWs) bands (ev): -28.3483 -28.3483 -22.3690 -22.3690 -9.4532 -9.4532 -7.1729 -7.1729 -6.9530 -6.9530 -3.8135 -3.8135 -3.6311 -3.6311 -0.8445 -0.8445 8.4045 8.4045 9.4815 9.4815 14.9855 14.9855 k = 0.1087-0.1824 0.4497 ( 1292 PWs) bands (ev): -28.3496 -28.3496 -22.3737 -22.3737 -9.4476 -9.4476 -7.1573 -7.1573 -6.9453 -6.9453 -3.7960 -3.7960 -3.6276 -3.6276 -0.8589 -0.8589 8.3228 8.3228 9.4283 9.4283 15.1390 15.1390 k = 0.1036-0.1737 0.4497 ( 1292 PWs) bands (ev): -28.3509 -28.3509 -22.3782 -22.3782 -9.4423 -9.4423 -7.1418 -7.1418 -6.9380 -6.9380 -3.7787 -3.7787 -3.6243 -3.6243 -0.8729 -0.8729 8.2441 8.2441 9.3773 9.3773 15.2952 15.2952 k = 0.0984-0.1650 0.4497 ( 1292 PWs) bands (ev): -28.3521 -28.3521 -22.3825 -22.3825 -9.4373 -9.4373 -7.1266 -7.1266 -6.9311 -6.9311 -3.7618 -3.7618 -3.6210 -3.6210 -0.8867 -0.8867 8.1685 8.1685 9.3285 9.3285 15.4539 15.4539 k = 0.0932-0.1563 0.4497 ( 1294 PWs) bands (ev): -28.3533 -28.3533 -22.3867 -22.3867 -9.4325 -9.4325 -7.1116 -7.1116 -6.9245 -6.9245 -3.7453 -3.7453 -3.6178 -3.6178 -0.9000 -0.9000 8.0960 8.0960 9.2820 9.2820 15.6150 15.6150 k = 0.0880-0.1476 0.4497 ( 1294 PWs) bands (ev): -28.3545 -28.3545 -22.3907 -22.3907 -9.4279 -9.4279 -7.0969 -7.0969 -6.9182 -6.9182 -3.7294 -3.7294 -3.6146 -3.6146 -0.9129 -0.9129 8.0267 8.0267 9.2377 9.2377 15.7784 15.7784 k = 0.0829-0.1389 0.4497 ( 1296 PWs) bands (ev): -28.3556 -28.3556 -22.3944 -22.3944 -9.4236 -9.4236 -7.0827 -7.0827 -6.9123 -6.9123 -3.7140 -3.7140 -3.6115 -3.6115 -0.9254 -0.9254 7.9608 7.9608 9.1957 9.1957 15.9437 15.9437 k = 0.0777-0.1303 0.4497 ( 1296 PWs) bands (ev): -28.3567 -28.3567 -22.3980 -22.3980 -9.4196 -9.4196 -7.0689 -7.0689 -6.9067 -6.9067 -3.6994 -3.6994 -3.6083 -3.6083 -0.9373 -0.9373 7.8984 7.8984 9.1561 9.1561 16.1107 16.1107 k = 0.0725-0.1216 0.4497 ( 1292 PWs) bands (ev): -28.3577 -28.3577 -22.4014 -22.4014 -9.4158 -9.4158 -7.0557 -7.0557 -6.9015 -6.9015 -3.6856 -3.6856 -3.6050 -3.6050 -0.9487 -0.9487 7.8396 7.8396 9.1189 9.1189 16.2791 16.2791 k = 0.0673-0.1129 0.4497 ( 1290 PWs) bands (ev): -28.3587 -28.3587 -22.4046 -22.4046 -9.4122 -9.4122 -7.0430 -7.0430 -6.8966 -6.8966 -3.6728 -3.6728 -3.6016 -3.6016 -0.9596 -0.9596 7.7843 7.7843 9.0841 9.0841 16.4484 16.4484 k = 0.0621-0.1042 0.4497 ( 1286 PWs) bands (ev): -28.3597 -28.3597 -22.4076 -22.4076 -9.4090 -9.4090 -7.0311 -7.0311 -6.8920 -6.8920 -3.6612 -3.6612 -3.5980 -3.5980 -0.9698 -0.9698 7.7328 7.7328 9.0517 9.0517 16.6180 16.6180 k = 0.0570-0.0955 0.4497 ( 1286 PWs) bands (ev): -28.3605 -28.3605 -22.4104 -22.4104 -9.4060 -9.4060 -7.0199 -7.0199 -6.8879 -6.8879 -3.6508 -3.6508 -3.5940 -3.5940 -0.9794 -0.9794 7.6852 7.6852 9.0218 9.0218 16.7873 16.7873 k = 0.0518-0.0868 0.4497 ( 1284 PWs) bands (ev): -28.3613 -28.3613 -22.4129 -22.4129 -9.4032 -9.4032 -7.0095 -7.0095 -6.8840 -6.8840 -3.6419 -3.6419 -3.5896 -3.5896 -0.9883 -0.9883 7.6414 7.6414 8.9945 8.9945 16.9555 16.9555 k = 0.0466-0.0782 0.4497 ( 1280 PWs) bands (ev): -28.3621 -28.3621 -22.4152 -22.4152 -9.4007 -9.4007 -6.9999 -6.9999 -6.8805 -6.8805 -3.6344 -3.6344 -3.5848 -3.5848 -0.9964 -0.9964 7.6015 7.6015 8.9697 8.9697 17.1213 17.1213 k = 0.0414-0.0695 0.4497 ( 1282 PWs) bands (ev): -28.3628 -28.3628 -22.4173 -22.4173 -9.3985 -9.3985 -6.9912 -6.9912 -6.8774 -6.8774 -3.6284 -3.6284 -3.5797 -3.5797 -1.0038 -1.0038 7.5657 7.5657 8.9474 8.9474 17.2834 17.2834 k = 0.0362-0.0608 0.4497 ( 1278 PWs) bands (ev): -28.3633 -28.3633 -22.4191 -22.4191 -9.3965 -9.3965 -6.9835 -6.9835 -6.8746 -6.8746 -3.6237 -3.6237 -3.5745 -3.5745 -1.0104 -1.0104 7.5339 7.5339 8.9277 8.9277 17.4399 17.4399 k = 0.0311-0.0521 0.4497 ( 1278 PWs) bands (ev): -28.3639 -28.3639 -22.4208 -22.4208 -9.3948 -9.3948 -6.9767 -6.9767 -6.8721 -6.8721 -3.6200 -3.6200 -3.5695 -3.5695 -1.0162 -1.0162 7.5063 7.5063 8.9106 8.9106 17.5884 17.5884 k = 0.0259-0.0434 0.4497 ( 1276 PWs) bands (ev): -28.3643 -28.3643 -22.4221 -22.4221 -9.3934 -9.3934 -6.9709 -6.9709 -6.8700 -6.8700 -3.6173 -3.6173 -3.5648 -3.5648 -1.0212 -1.0212 7.4828 7.4828 8.8960 8.8960 17.7259 17.7259 k = 0.0207-0.0347 0.4497 ( 1270 PWs) bands (ev): -28.3647 -28.3647 -22.4232 -22.4232 -9.3922 -9.3922 -6.9661 -6.9661 -6.8683 -6.8683 -3.6152 -3.6152 -3.5608 -3.5608 -1.0253 -1.0253 7.4636 7.4636 8.8842 8.8842 17.8486 17.8486 k = 0.0155-0.0261 0.4497 ( 1268 PWs) bands (ev): -28.3649 -28.3649 -22.4241 -22.4241 -9.3912 -9.3912 -6.9624 -6.9624 -6.8670 -6.8670 -3.6137 -3.6137 -3.5575 -3.5575 -1.0284 -1.0284 7.4486 7.4486 8.8749 8.8749 17.9518 17.9518 k = 0.0104-0.0174 0.4497 ( 1270 PWs) bands (ev): -28.3652 -28.3652 -22.4247 -22.4247 -9.3906 -9.3906 -6.9597 -6.9597 -6.8660 -6.8660 -3.6127 -3.6127 -3.5550 -3.5550 -1.0307 -1.0307 7.4378 7.4378 8.8683 8.8683 18.0306 18.0306 k = 0.0052-0.0087 0.4497 ( 1268 PWs) bands (ev): -28.3653 -28.3653 -22.4251 -22.4251 -9.3902 -9.3902 -6.9581 -6.9581 -6.8654 -6.8654 -3.6121 -3.6121 -3.5536 -3.5536 -1.0321 -1.0321 7.4314 7.4314 8.8643 8.8643 18.0803 18.0803 k = 0.0000 0.0000 0.4497 ( 1268 PWs) bands (ev): -28.3653 -28.3653 -22.4252 -22.4252 -9.3901 -9.3901 -6.9575 -6.9575 -6.8653 -6.8653 -3.6119 -3.6119 -3.5531 -3.5531 -1.0326 -1.0326 7.4292 7.4292 8.8630 8.8630 18.0973 18.0973 k = 0.0000 0.0000 0.4497 ( 1268 PWs) bands (ev): -28.3653 -28.3653 -22.4252 -22.4252 -9.3901 -9.3901 -6.9575 -6.9575 -6.8653 -6.8653 -3.6119 -3.6119 -3.5531 -3.5531 -1.0326 -1.0326 7.4292 7.4292 8.8630 8.8630 18.0973 18.0973 k = 0.0086 0.0051 0.4497 ( 1268 PWs) bands (ev): -28.3653 -28.3653 -22.4251 -22.4251 -9.3901 -9.3901 -6.9577 -6.9577 -6.8658 -6.8658 -3.6124 -3.6124 -3.5533 -3.5533 -1.0322 -1.0322 7.4313 7.4313 8.8643 8.8643 18.0982 18.0982 k = 0.0173 0.0103 0.4497 ( 1267 PWs) bands (ev): -28.3651 -28.3651 -22.4248 -22.4248 -9.3904 -9.3904 -6.9582 -6.9582 -6.8675 -6.8675 -3.6139 -3.6139 -3.5538 -3.5538 -1.0310 -1.0310 7.4376 7.4376 8.8681 8.8681 18.1008 18.1008 k = 0.0259 0.0154 0.4497 ( 1269 PWs) bands (ev): -28.3649 -28.3649 -22.4242 -22.4242 -9.3908 -9.3908 -6.9591 -6.9591 -6.8704 -6.8704 -3.6164 -3.6164 -3.5548 -3.5548 -1.0291 -1.0291 7.4480 7.4480 8.8745 8.8745 18.1050 18.1050 k = 0.0345 0.0206 0.4497 ( 1273 PWs) bands (ev): -28.3645 -28.3645 -22.4234 -22.4234 -9.3913 -9.3913 -6.9604 -6.9604 -6.8744 -6.8744 -3.6200 -3.6200 -3.5560 -3.5560 -1.0263 -1.0263 7.4626 7.4626 8.8835 8.8835 18.1110 18.1110 k = 0.0431 0.0257 0.4497 ( 1273 PWs) bands (ev): -28.3641 -28.3641 -22.4224 -22.4224 -9.3920 -9.3920 -6.9620 -6.9620 -6.8794 -6.8794 -3.6247 -3.6247 -3.5576 -3.5576 -1.0229 -1.0229 7.4813 7.4813 8.8951 8.8951 18.1186 18.1186 k = 0.0518 0.0309 0.4497 ( 1273 PWs) bands (ev): -28.3635 -28.3635 -22.4212 -22.4212 -9.3928 -9.3928 -6.9639 -6.9639 -6.8855 -6.8855 -3.6305 -3.6305 -3.5593 -3.5593 -1.0186 -1.0186 7.5041 7.5041 8.9091 8.9091 18.1278 18.1278 k = 0.0604 0.0360 0.4497 ( 1277 PWs) bands (ev): -28.3629 -28.3629 -22.4197 -22.4197 -9.3938 -9.3938 -6.9663 -6.9663 -6.8926 -6.8926 -3.6374 -3.6374 -3.5611 -3.5611 -1.0137 -1.0137 7.5309 7.5309 8.9258 8.9258 18.1386 18.1386 k = 0.0690 0.0412 0.4497 ( 1279 PWs) bands (ev): -28.3621 -28.3621 -22.4180 -22.4180 -9.3950 -9.3950 -6.9691 -6.9691 -6.9007 -6.9007 -3.6454 -3.6454 -3.5631 -3.5631 -1.0081 -1.0081 7.5618 7.5618 8.9449 8.9449 18.0287 18.0287 k = 0.0776 0.0463 0.4497 ( 1281 PWs) bands (ev): -28.3613 -28.3613 -22.4162 -22.4162 -9.3963 -9.3963 -6.9723 -6.9723 -6.9095 -6.9095 -3.6546 -3.6546 -3.5652 -3.5652 -1.0018 -1.0018 7.5966 7.5966 8.9665 8.9665 17.8463 17.8463 k = 0.0863 0.0514 0.4497 ( 1283 PWs) bands (ev): -28.3604 -28.3604 -22.4141 -22.4141 -9.3977 -9.3977 -6.9761 -6.9761 -6.9191 -6.9191 -3.6648 -3.6648 -3.5674 -3.5674 -0.9948 -0.9948 7.6353 7.6353 8.9906 8.9906 17.6620 17.6620 k = 0.0949 0.0566 0.4497 ( 1281 PWs) bands (ev): -28.3594 -28.3594 -22.4118 -22.4118 -9.3993 -9.3993 -6.9806 -6.9806 -6.9293 -6.9293 -3.6761 -3.6761 -3.5696 -3.5696 -0.9873 -0.9873 7.6778 7.6778 9.0171 9.0171 17.4770 17.4770 k = 0.1035 0.0617 0.4497 ( 1281 PWs) bands (ev): -28.3583 -28.3583 -22.4093 -22.4093 -9.4011 -9.4011 -6.9860 -6.9860 -6.9398 -6.9398 -3.6883 -3.6883 -3.5718 -3.5718 -0.9791 -0.9791 7.7241 7.7241 9.0460 9.0460 17.2921 17.2921 k = 0.1121 0.0669 0.4497 ( 1283 PWs) bands (ev): -28.3571 -28.3571 -22.4066 -22.4066 -9.4030 -9.4030 -6.9925 -6.9925 -6.9501 -6.9501 -3.7015 -3.7015 -3.5742 -3.5742 -0.9704 -0.9704 7.7741 7.7741 9.0774 9.0774 17.1078 17.1078 k = 0.1208 0.0720 0.4497 ( 1279 PWs) bands (ev): -28.3559 -28.3559 -22.4037 -22.4037 -9.4051 -9.4051 -7.0006 -7.0006 -6.9600 -6.9600 -3.7156 -3.7156 -3.5766 -3.5766 -0.9612 -0.9612 7.8278 7.8278 9.1111 9.1111 16.9247 16.9247 k = 0.1294 0.0772 0.4497 ( 1279 PWs) bands (ev): -28.3546 -28.3546 -22.4006 -22.4006 -9.4073 -9.4073 -7.0106 -7.0106 -6.9689 -6.9689 -3.7304 -3.7304 -3.5790 -3.5790 -0.9515 -0.9515 7.8849 7.8849 9.1471 9.1471 16.7431 16.7431 k = 0.1380 0.0823 0.4497 ( 1281 PWs) bands (ev): -28.3532 -28.3532 -22.3974 -22.3974 -9.4097 -9.4097 -7.0226 -7.0226 -6.9768 -6.9768 -3.7460 -3.7460 -3.5816 -3.5816 -0.9414 -0.9414 7.9455 7.9455 9.1855 9.1855 16.5632 16.5632 k = 0.1466 0.0875 0.4497 ( 1279 PWs) bands (ev): -28.3517 -28.3517 -22.3940 -22.3940 -9.4122 -9.4122 -7.0363 -7.0363 -6.9839 -6.9839 -3.7623 -3.7623 -3.5842 -3.5842 -0.9309 -0.9309 8.0094 8.0094 9.2261 9.2261 16.3854 16.3854 k = 0.1553 0.0926 0.4497 ( 1280 PWs) bands (ev): -28.3502 -28.3502 -22.3904 -22.3904 -9.4149 -9.4149 -7.0514 -7.0514 -6.9903 -6.9903 -3.7791 -3.7791 -3.5868 -3.5868 -0.9199 -0.9199 8.0766 8.0766 9.2689 9.2689 16.2096 16.2096 k = 0.1639 0.0977 0.4497 ( 1280 PWs) bands (ev): -28.3487 -28.3487 -22.3867 -22.3867 -9.4177 -9.4177 -7.0677 -7.0677 -6.9963 -6.9963 -3.7965 -3.7965 -3.5895 -3.5895 -0.9087 -0.9087 8.1469 8.1469 9.3140 9.3140 16.0362 16.0362 k = 0.1725 0.1029 0.4497 ( 1278 PWs) bands (ev): -28.3471 -28.3471 -22.3828 -22.3828 -9.4208 -9.4208 -7.0847 -7.0847 -7.0021 -7.0021 -3.8144 -3.8144 -3.5923 -3.5923 -0.8971 -0.8971 8.2202 8.2202 9.3611 9.3611 15.8652 15.8652 k = 0.1812 0.1080 0.4497 ( 1278 PWs) bands (ev): -28.3455 -28.3455 -22.3788 -22.3788 -9.4239 -9.4239 -7.1025 -7.1025 -7.0078 -7.0078 -3.8326 -3.8326 -3.5951 -3.5951 -0.8853 -0.8853 8.2964 8.2964 9.4104 9.4104 15.6967 15.6967 k = 0.1898 0.1132 0.4497 ( 1279 PWs) bands (ev): -28.3438 -28.3438 -22.3747 -22.3747 -9.4273 -9.4273 -7.1207 -7.1207 -7.0134 -7.0134 -3.8512 -3.8512 -3.5980 -3.5980 -0.8732 -0.8732 8.3755 8.3755 9.4618 9.4618 15.5307 15.5307 k = 0.1984 0.1183 0.4497 ( 1279 PWs) bands (ev): -28.3421 -28.3421 -22.3704 -22.3704 -9.4308 -9.4308 -7.1394 -7.1394 -7.0190 -7.0190 -3.8701 -3.8701 -3.6009 -3.6009 -0.8609 -0.8609 8.4572 8.4572 9.5151 9.5151 15.3673 15.3673 k = 0.2070 0.1235 0.4497 ( 1280 PWs) bands (ev): -28.3404 -28.3404 -22.3660 -22.3660 -9.4344 -9.4344 -7.1585 -7.1585 -7.0246 -7.0246 -3.8891 -3.8891 -3.6039 -3.6039 -0.8484 -0.8484 8.5414 8.5414 9.5704 9.5704 15.2066 15.2066 k = 0.2157 0.1286 0.4497 ( 1282 PWs) bands (ev): -28.3387 -28.3387 -22.3616 -22.3616 -9.4382 -9.4382 -7.1778 -7.1778 -7.0302 -7.0302 -3.9084 -3.9084 -3.6069 -3.6069 -0.8358 -0.8358 8.6280 8.6280 9.6276 9.6276 15.0485 15.0485 k = 0.2243 0.1338 0.4497 ( 1284 PWs) bands (ev): -28.3369 -28.3369 -22.3570 -22.3570 -9.4422 -9.4422 -7.1972 -7.1972 -7.0358 -7.0358 -3.9277 -3.9277 -3.6099 -3.6099 -0.8230 -0.8230 8.7169 8.7169 9.6867 9.6867 14.8932 14.8932 k = 0.2329 0.1389 0.4497 ( 1286 PWs) bands (ev): -28.3352 -28.3352 -22.3523 -22.3523 -9.4463 -9.4463 -7.2168 -7.2168 -7.0413 -7.0413 -3.9470 -3.9470 -3.6130 -3.6130 -0.8102 -0.8102 8.8080 8.8080 9.7476 9.7476 14.7406 14.7406 k = 0.2415 0.1440 0.4497 ( 1288 PWs) bands (ev): -28.3335 -28.3335 -22.3476 -22.3476 -9.4506 -9.4506 -7.2363 -7.2363 -7.0469 -7.0469 -3.9663 -3.9663 -3.6161 -3.6161 -0.7972 -0.7972 8.9010 8.9010 9.8101 9.8101 14.5907 14.5907 k = 0.2502 0.1492 0.4497 ( 1290 PWs) bands (ev): -28.3318 -28.3318 -22.3428 -22.3428 -9.4551 -9.4551 -7.2559 -7.2559 -7.0525 -7.0525 -3.9856 -3.9856 -3.6192 -3.6192 -0.7843 -0.7843 8.9959 8.9959 9.8744 9.8744 14.4436 14.4436 k = 0.2588 0.1543 0.4497 ( 1290 PWs) bands (ev): -28.3300 -28.3300 -22.3379 -22.3379 -9.4597 -9.4597 -7.2753 -7.2753 -7.0580 -7.0580 -4.0047 -4.0047 -3.6222 -3.6222 -0.7713 -0.7713 9.0925 9.0925 9.9402 9.9402 14.2993 14.2993 k = 0.2674 0.1595 0.4497 ( 1288 PWs) bands (ev): -28.3284 -28.3284 -22.3330 -22.3330 -9.4645 -9.4645 -7.2945 -7.2945 -7.0634 -7.0634 -4.0236 -4.0236 -3.6253 -3.6253 -0.7582 -0.7582 9.1906 9.1906 10.0076 10.0076 14.1579 14.1579 k = 0.2760 0.1646 0.4497 ( 1290 PWs) bands (ev): -28.3267 -28.3267 -22.3281 -22.3281 -9.4694 -9.4694 -7.3135 -7.3135 -7.0688 -7.0688 -4.0422 -4.0422 -3.6284 -3.6284 -0.7453 -0.7453 9.2901 9.2901 10.0763 10.0763 14.0193 14.0193 k = 0.2847 0.1698 0.4497 ( 1286 PWs) bands (ev): -28.3251 -28.3251 -22.3231 -22.3231 -9.4745 -9.4745 -7.3323 -7.3323 -7.0741 -7.0741 -4.0606 -4.0606 -3.6315 -3.6315 -0.7323 -0.7323 9.3908 9.3908 10.1464 10.1464 13.8835 13.8835 k = 0.2933 0.1749 0.4497 ( 1288 PWs) bands (ev): -28.3235 -28.3235 -22.3182 -22.3182 -9.4797 -9.4797 -7.3507 -7.3507 -7.0793 -7.0793 -4.0786 -4.0786 -3.6345 -3.6345 -0.7194 -0.7194 9.4926 9.4926 10.2176 10.2176 13.7507 13.7507 k = 0.3019 0.1801 0.4497 ( 1288 PWs) bands (ev): -28.3220 -28.3220 -22.3132 -22.3132 -9.4851 -9.4851 -7.3687 -7.3687 -7.0845 -7.0845 -4.0963 -4.0963 -3.6376 -3.6376 -0.7066 -0.7066 9.5951 9.5951 10.2899 10.2899 13.6210 13.6210 k = 0.3106 0.1852 0.4497 ( 1290 PWs) bands (ev): -28.3205 -28.3205 -22.3082 -22.3082 -9.4906 -9.4906 -7.3862 -7.3862 -7.0895 -7.0895 -4.1135 -4.1135 -3.6405 -3.6405 -0.6939 -0.6939 9.6983 9.6983 10.3631 10.3631 13.4943 13.4943 k = 0.3192 0.1903 0.4497 ( 1288 PWs) bands (ev): -28.3190 -28.3190 -22.3032 -22.3032 -9.4963 -9.4963 -7.4033 -7.4033 -7.0943 -7.0943 -4.1303 -4.1303 -3.6435 -3.6435 -0.6813 -0.6813 9.8020 9.8020 10.4371 10.4371 13.3710 13.3710 k = 0.3278 0.1955 0.4497 ( 1287 PWs) bands (ev): -28.3177 -28.3177 -22.2982 -22.2982 -9.5021 -9.5021 -7.4198 -7.4198 -7.0990 -7.0990 -4.1465 -4.1465 -3.6463 -3.6463 -0.6688 -0.6688 9.9058 9.9058 10.5116 10.5116 13.2511 13.2511 k = 0.3364 0.2006 0.4497 ( 1283 PWs) bands (ev): -28.3164 -28.3164 -22.2933 -22.2933 -9.5080 -9.5080 -7.4358 -7.4358 -7.1036 -7.1036 -4.1623 -4.1623 -3.6492 -3.6492 -0.6564 -0.6564 10.0095 10.0095 10.5863 10.5863 13.1351 13.1351 k = 0.3451 0.2058 0.4497 ( 1283 PWs) bands (ev): -28.3152 -28.3152 -22.2884 -22.2884 -9.5141 -9.5141 -7.4511 -7.4511 -7.1080 -7.1080 -4.1774 -4.1774 -3.6519 -3.6519 -0.6442 -0.6442 10.1128 10.1128 10.6609 10.6609 13.0231 13.0231 k = 0.3537 0.2109 0.4497 ( 1283 PWs) bands (ev): -28.3140 -28.3140 -22.2836 -22.2836 -9.5203 -9.5203 -7.4657 -7.4657 -7.1122 -7.1122 -4.1920 -4.1920 -3.6546 -3.6546 -0.6322 -0.6322 10.2154 10.2154 10.7352 10.7352 12.9158 12.9158 k = 0.3623 0.2161 0.4497 ( 1283 PWs) bands (ev): -28.3130 -28.3130 -22.2789 -22.2789 -9.5267 -9.5267 -7.4796 -7.4796 -7.1162 -7.1162 -4.2059 -4.2059 -3.6573 -3.6573 -0.6203 -0.6203 10.3166 10.3166 10.8086 10.8086 12.8138 12.8138 k = 0.3709 0.2212 0.4497 ( 1287 PWs) bands (ev): -28.3121 -28.3121 -22.2742 -22.2742 -9.5331 -9.5331 -7.4929 -7.4929 -7.1200 -7.1200 -4.2191 -4.2191 -3.6598 -3.6598 -0.6086 -0.6086 10.4158 10.4158 10.8806 10.8806 12.7181 12.7181 k = 0.3796 0.2264 0.4497 ( 1291 PWs) bands (ev): -28.3112 -28.3112 -22.2695 -22.2695 -9.5397 -9.5397 -7.5053 -7.5053 -7.1235 -7.1235 -4.2316 -4.2316 -3.6623 -3.6623 -0.5971 -0.5971 10.5121 10.5121 10.9508 10.9508 12.6298 12.6298 k = 0.3882 0.2315 0.4497 ( 1295 PWs) bands (ev): -28.3105 -28.3105 -22.2650 -22.2650 -9.5465 -9.5465 -7.5169 -7.5169 -7.1268 -7.1268 -4.2434 -4.2434 -3.6647 -3.6647 -0.5858 -0.5858 10.6039 10.6039 11.0188 11.0188 12.5506 12.5506 k = 0.3968 0.2366 0.4497 ( 1295 PWs) bands (ev): -28.3098 -28.3098 -22.2606 -22.2606 -9.5533 -9.5533 -7.5277 -7.5277 -7.1299 -7.1299 -4.2545 -4.2545 -3.6670 -3.6670 -0.5747 -0.5747 10.6892 10.6892 11.0846 11.0846 12.4823 12.4823 k = 0.4054 0.2418 0.4497 ( 1299 PWs) bands (ev): -28.3093 -28.3093 -22.2562 -22.2562 -9.5602 -9.5602 -7.5376 -7.5376 -7.1328 -7.1328 -4.2648 -4.2648 -3.6691 -3.6691 -0.5638 -0.5638 10.7644 10.7644 11.1490 11.1490 12.4272 12.4272 k = 0.4141 0.2469 0.4497 ( 1295 PWs) bands (ev): -28.3089 -28.3089 -22.2520 -22.2520 -9.5672 -9.5672 -7.5466 -7.5466 -7.1353 -7.1353 -4.2743 -4.2743 -3.6712 -3.6712 -0.5532 -0.5532 10.8253 10.8253 11.2140 11.2140 12.3876 12.3876 k = 0.4227 0.2521 0.4497 ( 1293 PWs) bands (ev): -28.3086 -28.3086 -22.2479 -22.2479 -9.5743 -9.5743 -7.5547 -7.5547 -7.1376 -7.1376 -4.2830 -4.2830 -3.6732 -3.6732 -0.5428 -0.5428 10.8669 10.8669 11.2822 11.2822 12.3656 12.3656 k = 0.4313 0.2572 0.4497 ( 1291 PWs) bands (ev): -28.3084 -28.3084 -22.2439 -22.2439 -9.5815 -9.5815 -7.5619 -7.5619 -7.1396 -7.1396 -4.2908 -4.2908 -3.6751 -3.6751 -0.5326 -0.5326 10.8856 10.8856 11.3559 11.3559 12.3621 12.3621 k = 0.4399 0.2624 0.4497 ( 1293 PWs) bands (ev): -28.3083 -28.3083 -22.2400 -22.2400 -9.5887 -9.5887 -7.5681 -7.5681 -7.1413 -7.1413 -4.2979 -4.2979 -3.6768 -3.6768 -0.5227 -0.5227 10.8811 10.8811 11.4355 11.4355 12.3768 12.3768 k = 0.5000 0.2982-0.3241 ( 1296 PWs) bands (ev): -28.3024 -28.3024 -22.2453 -22.2453 -9.5582 -9.5582 -7.5608 -7.5608 -7.1877 -7.1877 -4.3679 -4.3679 -3.6186 -3.6186 -0.5586 -0.5586 10.6402 10.6402 11.9282 11.9282 12.9134 12.9134 k = 0.5051 0.2896-0.3241 ( 1296 PWs) bands (ev): -28.3024 -28.3024 -22.2452 -22.2452 -9.5583 -9.5583 -7.5606 -7.5606 -7.1881 -7.1881 -4.3677 -4.3677 -3.6190 -3.6190 -0.5583 -0.5583 10.6413 10.6413 11.9286 11.9286 12.9140 12.9140 k = 0.5103 0.2810-0.3241 ( 1300 PWs) bands (ev): -28.3024 -28.3024 -22.2450 -22.2450 -9.5588 -9.5588 -7.5598 -7.5598 -7.1895 -7.1895 -4.3671 -4.3671 -3.6203 -3.6203 -0.5575 -0.5575 10.6447 10.6447 11.9301 11.9301 12.9158 12.9158 k = 0.5154 0.2723-0.3241 ( 1301 PWs) bands (ev): -28.3024 -28.3024 -22.2446 -22.2446 -9.5596 -9.5596 -7.5586 -7.5586 -7.1917 -7.1917 -4.3660 -4.3660 -3.6223 -3.6223 -0.5563 -0.5563 10.6503 10.6503 11.9325 11.9325 12.9188 12.9188 k = 0.5205 0.2637-0.3241 ( 1301 PWs) bands (ev): -28.3025 -28.3025 -22.2441 -22.2441 -9.5608 -9.5608 -7.5568 -7.5568 -7.1948 -7.1948 -4.3645 -4.3645 -3.6251 -3.6251 -0.5545 -0.5545 10.6581 10.6581 11.9359 11.9359 12.9230 12.9230 k = 0.5257 0.2551-0.3241 ( 1301 PWs) bands (ev): -28.3025 -28.3025 -22.2434 -22.2434 -9.5623 -9.5623 -7.5545 -7.5545 -7.1987 -7.1987 -4.3626 -4.3626 -3.6288 -3.6288 -0.5522 -0.5522 10.6680 10.6680 11.9403 11.9403 12.9283 12.9283 k = 0.5308 0.2465-0.3241 ( 1303 PWs) bands (ev): -28.3026 -28.3026 -22.2426 -22.2426 -9.5641 -9.5641 -7.5517 -7.5517 -7.2035 -7.2035 -4.3603 -4.3603 -3.6332 -3.6332 -0.5494 -0.5494 10.6799 10.6799 11.9457 11.9457 12.9346 12.9346 k = 0.5359 0.2379-0.3241 ( 1303 PWs) bands (ev): -28.3027 -28.3027 -22.2416 -22.2416 -9.5662 -9.5662 -7.5485 -7.5485 -7.2091 -7.2091 -4.3576 -4.3576 -3.6383 -3.6383 -0.5462 -0.5462 10.6936 10.6936 11.9520 11.9520 12.9418 12.9418 k = 0.5411 0.2293-0.3241 ( 1303 PWs) bands (ev): -28.3028 -28.3028 -22.2405 -22.2405 -9.5686 -9.5686 -7.5447 -7.5447 -7.2155 -7.2155 -4.3544 -4.3544 -3.6442 -3.6442 -0.5424 -0.5424 10.7091 10.7091 11.9594 11.9594 12.9499 12.9499 k = 0.5462 0.2207-0.3241 ( 1299 PWs) bands (ev): -28.3029 -28.3029 -22.2393 -22.2393 -9.5714 -9.5714 -7.5405 -7.5405 -7.2225 -7.2225 -4.3509 -4.3509 -3.6507 -3.6507 -0.5382 -0.5382 10.7261 10.7261 11.9677 11.9677 12.9587 12.9587 k = 0.5514 0.2121-0.3241 ( 1297 PWs) bands (ev): -28.3030 -28.3030 -22.2379 -22.2379 -9.5745 -9.5745 -7.5358 -7.5358 -7.2303 -7.2303 -4.3470 -4.3470 -3.6580 -3.6580 -0.5336 -0.5336 10.7445 10.7445 11.9771 11.9771 12.9681 12.9681 k = 0.5565 0.2035-0.3241 ( 1297 PWs) bands (ev): -28.3032 -28.3032 -22.2363 -22.2363 -9.5779 -9.5779 -7.5306 -7.5306 -7.2387 -7.2387 -4.3426 -4.3426 -3.6659 -3.6659 -0.5285 -0.5285 10.7640 10.7640 11.9875 11.9875 12.9779 12.9779 k = 0.5616 0.1948-0.3241 ( 1293 PWs) bands (ev): -28.3034 -28.3034 -22.2347 -22.2347 -9.5817 -9.5817 -7.5249 -7.5249 -7.2477 -7.2477 -4.3379 -4.3379 -3.6744 -3.6744 -0.5229 -0.5229 10.7844 10.7844 11.9989 11.9989 12.9880 12.9880 k = 0.5668 0.1862-0.3241 ( 1297 PWs) bands (ev): -28.3036 -28.3036 -22.2329 -22.2329 -9.5858 -9.5858 -7.5189 -7.5189 -7.2572 -7.2572 -4.3328 -4.3328 -3.6835 -3.6835 -0.5170 -0.5170 10.8054 10.8054 12.0114 12.0114 12.9982 12.9982 k = 0.5719 0.1776-0.3241 ( 1295 PWs) bands (ev): -28.3039 -28.3039 -22.2310 -22.2310 -9.5902 -9.5902 -7.5124 -7.5124 -7.2673 -7.2673 -4.3274 -4.3274 -3.6931 -3.6931 -0.5107 -0.5107 10.8266 10.8266 12.0249 12.0249 13.0084 13.0084 k = 0.5770 0.1690-0.3241 ( 1295 PWs) bands (ev): -28.3042 -28.3042 -22.2290 -22.2290 -9.5949 -9.5949 -7.5054 -7.5054 -7.2777 -7.2777 -4.3216 -4.3216 -3.7031 -3.7031 -0.5040 -0.5040 10.8479 10.8479 12.0395 12.0395 13.0185 13.0185 k = 0.5822 0.1604-0.3241 ( 1297 PWs) bands (ev): -28.3045 -28.3045 -22.2268 -22.2268 -9.6000 -9.6000 -7.4981 -7.4981 -7.2885 -7.2885 -4.3155 -4.3155 -3.7137 -3.7137 -0.4969 -0.4969 10.8686 10.8686 12.0552 12.0552 13.0282 13.0282 k = 0.5873 0.1518-0.3241 ( 1297 PWs) bands (ev): -28.3048 -28.3048 -22.2246 -22.2246 -9.6054 -9.6054 -7.4904 -7.4904 -7.2996 -7.2996 -4.3090 -4.3090 -3.7247 -3.7247 -0.4894 -0.4894 10.8886 10.8886 12.0721 12.0721 13.0376 13.0376 k = 0.5924 0.1432-0.3241 ( 1295 PWs) bands (ev): -28.3052 -28.3052 -22.2222 -22.2222 -9.6111 -9.6111 -7.4824 -7.4824 -7.3109 -7.3109 -4.3022 -4.3022 -3.7360 -3.7360 -0.4817 -0.4817 10.9072 10.9072 12.0901 12.0901 13.0465 13.0465 k = 0.5976 0.1346-0.3241 ( 1295 PWs) bands (ev): -28.3056 -28.3056 -22.2198 -22.2198 -9.6172 -9.6172 -7.4740 -7.4740 -7.3223 -7.3223 -4.2951 -4.2951 -3.7476 -3.7476 -0.4736 -0.4736 10.9240 10.9240 12.1092 12.1092 13.0550 13.0550 k = 0.6027 0.1259-0.3241 ( 1291 PWs) bands (ev): -28.3061 -28.3061 -22.2172 -22.2172 -9.6235 -9.6235 -7.4653 -7.4653 -7.3337 -7.3337 -4.2877 -4.2877 -3.7595 -3.7595 -0.4652 -0.4652 10.9384 10.9384 12.1296 12.1296 13.0631 13.0631 k = 0.6078 0.1173-0.3241 ( 1289 PWs) bands (ev): -28.3067 -28.3067 -22.2146 -22.2146 -9.6302 -9.6302 -7.4565 -7.4565 -7.3451 -7.3451 -4.2800 -4.2800 -3.7716 -3.7716 -0.4565 -0.4565 10.9500 10.9500 12.1511 12.1511 13.0710 13.0710 k = 0.6130 0.1087-0.3241 ( 1291 PWs) bands (ev): -28.3072 -28.3072 -22.2119 -22.2119 -9.6372 -9.6372 -7.4475 -7.4475 -7.3562 -7.3562 -4.2720 -4.2720 -3.7839 -3.7839 -0.4476 -0.4476 10.9581 10.9581 12.1740 12.1740 13.0789 13.0789 k = 0.6181 0.1001-0.3241 ( 1293 PWs) bands (ev): -28.3079 -28.3079 -22.2091 -22.2091 -9.6446 -9.6446 -7.4387 -7.4387 -7.3668 -7.3668 -4.2638 -4.2638 -3.7964 -3.7964 -0.4385 -0.4385 10.9620 10.9620 12.1980 12.1980 13.0871 13.0871 k = 0.6233 0.0915-0.3241 ( 1293 PWs) bands (ev): -28.3086 -28.3086 -22.2062 -22.2062 -9.6522 -9.6522 -7.4306 -7.4306 -7.3762 -7.3762 -4.2554 -4.2554 -3.8089 -3.8089 -0.4291 -0.4291 10.9612 10.9612 12.2234 12.2234 13.0961 13.0961 k = 0.6284 0.0829-0.3241 ( 1295 PWs) bands (ev): -28.3094 -28.3094 -22.2033 -22.2033 -9.6601 -9.6601 -7.4245 -7.4245 -7.3831 -7.3831 -4.2467 -4.2467 -3.8214 -3.8214 -0.4194 -0.4194 10.9552 10.9552 12.2502 12.2502 13.1063 13.1063 k = 0.6335 0.0743-0.3241 ( 1295 PWs) bands (ev): -28.3102 -28.3102 -22.2004 -22.2004 -9.6684 -9.6684 -7.4230 -7.4230 -7.3849 -7.3849 -4.2377 -4.2377 -3.8340 -3.8340 -0.4096 -0.4096 10.9432 10.9432 12.2783 12.2783 13.1183 13.1183 k = 0.3665-0.6145-0.0000 ( 1295 PWs) bands (ev): -28.3102 -28.3102 -22.2004 -22.2004 -9.6684 -9.6684 -7.4230 -7.4230 -7.3849 -7.3849 -4.2377 -4.2377 -3.8340 -3.8340 -0.4096 -0.4096 10.9432 10.9432 12.2783 12.2783 13.1183 13.1183 k = 0.3613-0.6059-0.0000 ( 1299 PWs) bands (ev): -28.3111 -28.3111 -22.1973 -22.1973 -9.6769 -9.6769 -7.4272 -7.4272 -7.3805 -7.3805 -4.2286 -4.2286 -3.8465 -3.8465 -0.3996 -0.3996 10.9249 10.9249 12.3080 12.3080 13.1326 13.1326 k = 0.3561-0.5972-0.0000 ( 1299 PWs) bands (ev): -28.3121 -28.3121 -22.1942 -22.1942 -9.6857 -9.6857 -7.4346 -7.4346 -7.3722 -7.3722 -4.2192 -4.2192 -3.8589 -3.8589 -0.3894 -0.3894 10.8997 10.8997 12.3392 12.3392 13.1497 13.1497 k = 0.3510-0.5885-0.0000 ( 1301 PWs) bands (ev): -28.3131 -28.3131 -22.1911 -22.1911 -9.6948 -9.6948 -7.4431 -7.4431 -7.3621 -7.3621 -4.2097 -4.2097 -3.8712 -3.8712 -0.3790 -0.3790 10.8675 10.8675 12.3719 12.3719 13.1702 13.1702 k = 0.3458-0.5799-0.0000 ( 1301 PWs) bands (ev): -28.3142 -28.3142 -22.1879 -22.1879 -9.7042 -9.7042 -7.4518 -7.4518 -7.3511 -7.3511 -4.2000 -4.2000 -3.8833 -3.8833 -0.3686 -0.3686 10.8281 10.8281 12.4061 12.4061 13.1944 13.1944 k = 0.3407-0.5712-0.0000 ( 1301 PWs) bands (ev): -28.3154 -28.3154 -22.1848 -22.1848 -9.7139 -9.7139 -7.4603 -7.4603 -7.3395 -7.3395 -4.1902 -4.1902 -3.8952 -3.8952 -0.3579 -0.3579 10.7815 10.7815 12.4420 12.4420 13.2226 13.2226 k = 0.3355-0.5626-0.0000 ( 1301 PWs) bands (ev): -28.3167 -28.3167 -22.1816 -22.1816 -9.7238 -9.7238 -7.4685 -7.4685 -7.3276 -7.3276 -4.1802 -4.1802 -3.9068 -3.9068 -0.3472 -0.3472 10.7278 10.7278 12.4795 12.4795 13.2552 13.2552 k = 0.3303-0.5539-0.0000 ( 1301 PWs) bands (ev): -28.3181 -28.3181 -22.1783 -22.1783 -9.7339 -9.7339 -7.4761 -7.4761 -7.3154 -7.3154 -4.1702 -4.1702 -3.9181 -3.9181 -0.3364 -0.3364 10.6672 10.6672 12.5187 12.5187 13.2922 13.2922 k = 0.3252-0.5453-0.0000 ( 1305 PWs) bands (ev): -28.3195 -28.3195 -22.1751 -22.1751 -9.7442 -9.7442 -7.4831 -7.4831 -7.3029 -7.3029 -4.1600 -4.1600 -3.9289 -3.9289 -0.3256 -0.3256 10.6001 10.6001 12.5595 12.5595 13.3338 13.3338 k = 0.3200-0.5366-0.0000 ( 1305 PWs) bands (ev): -28.3211 -28.3211 -22.1719 -22.1719 -9.7548 -9.7548 -7.4894 -7.4894 -7.2903 -7.2903 -4.1498 -4.1498 -3.9394 -3.9394 -0.3146 -0.3146 10.5269 10.5269 12.6022 12.6022 13.3799 13.3799 k = 0.3149-0.5280-0.0000 ( 1307 PWs) bands (ev): -28.3227 -28.3227 -22.1687 -22.1687 -9.7656 -9.7656 -7.4950 -7.4950 -7.2775 -7.2775 -4.1396 -4.1396 -3.9495 -3.9495 -0.3037 -0.3037 10.4479 10.4479 12.6467 12.6467 13.4304 13.4304 k = 0.3097-0.5193-0.0000 ( 1305 PWs) bands (ev): -28.3244 -28.3244 -22.1655 -22.1655 -9.7766 -9.7766 -7.4998 -7.4998 -7.2646 -7.2646 -4.1293 -4.1293 -3.9590 -3.9590 -0.2927 -0.2927 10.3638 10.3638 12.6930 12.6930 13.4852 13.4852 k = 0.3045-0.5106-0.0000 ( 1301 PWs) bands (ev): -28.3262 -28.3262 -22.1623 -22.1623 -9.7877 -9.7877 -7.5039 -7.5039 -7.2516 -7.2516 -4.1191 -4.1191 -3.9680 -3.9680 -0.2816 -0.2816 10.2750 10.2750 12.7413 12.7413 13.5443 13.5443 k = 0.2994-0.5020-0.0000 ( 1297 PWs) bands (ev): -28.3281 -28.3281 -22.1592 -22.1592 -9.7990 -9.7990 -7.5070 -7.5070 -7.2385 -7.2385 -4.1089 -4.1089 -3.9764 -3.9764 -0.2706 -0.2706 10.1819 10.1819 12.7915 12.7915 13.6074 13.6074 k = 0.2942-0.4933-0.0000 ( 1299 PWs) bands (ev): -28.3301 -28.3301 -22.1560 -22.1560 -9.8104 -9.8104 -7.5093 -7.5093 -7.2254 -7.2254 -4.0989 -4.0989 -3.9842 -3.9842 -0.2595 -0.2595 10.0850 10.0850 12.8437 12.8437 13.6745 13.6745 k = 0.2890-0.4847-0.0000 ( 1299 PWs) bands (ev): -28.3322 -28.3322 -22.1529 -22.1529 -9.8220 -9.8220 -7.5107 -7.5107 -7.2123 -7.2123 -4.0891 -4.0891 -3.9911 -3.9911 -0.2485 -0.2485 9.9848 9.9848 12.8979 12.8979 13.7454 13.7454 k = 0.2839-0.4760-0.0000 ( 1303 PWs) bands (ev): -28.3344 -28.3344 -22.1499 -22.1499 -9.8337 -9.8337 -7.5112 -7.5112 -7.1991 -7.1991 -4.0796 -4.0796 -3.9972 -3.9972 -0.2375 -0.2375 9.8817 9.8817 12.9542 12.9542 13.8199 13.8199 k = 0.2787-0.4674-0.0000 ( 1303 PWs) bands (ev): -28.3366 -28.3366 -22.1469 -22.1469 -9.8455 -9.8455 -7.5108 -7.5108 -7.1860 -7.1860 -4.0707 -4.0707 -4.0021 -4.0021 -0.2266 -0.2266 9.7762 9.7762 13.0126 13.0126 13.8979 13.8979 k = 0.2736-0.4587-0.0000 ( 1301 PWs) bands (ev): -28.3390 -28.3390 -22.1439 -22.1439 -9.8574 -9.8574 -7.5093 -7.5093 -7.1728 -7.1728 -4.0627 -4.0627 -4.0056 -4.0056 -0.2157 -0.2157 9.6684 9.6684 13.0731 13.0731 13.9793 13.9793 k = 0.2684-0.4501-0.0000 ( 1307 PWs) bands (ev): -28.3414 -28.3414 -22.1410 -22.1410 -9.8694 -9.8694 -7.5070 -7.5070 -7.1597 -7.1597 -4.0562 -4.0562 -4.0070 -4.0070 -0.2048 -0.2048 9.5589 9.5589 13.1358 13.1358 14.0640 14.0640 k = 0.2632-0.4414-0.0000 ( 1309 PWs) bands (ev): -28.3439 -28.3439 -22.1382 -22.1382 -9.8814 -9.8814 -7.5036 -7.5036 -7.1467 -7.1467 -4.0516 -4.0516 -4.0059 -4.0059 -0.1940 -0.1940 9.4479 9.4479 13.2007 13.2007 14.1518 14.1518 k = 0.2581-0.4328-0.0000 ( 1311 PWs) bands (ev): -28.3466 -28.3466 -22.1354 -22.1354 -9.8935 -9.8935 -7.4992 -7.4992 -7.1338 -7.1338 -4.0493 -4.0493 -4.0020 -4.0020 -0.1833 -0.1833 9.3357 9.3357 13.2679 13.2679 14.2428 14.2428 k = 0.2529-0.4241-0.0000 ( 1309 PWs) bands (ev): -28.3492 -28.3492 -22.1327 -22.1327 -9.9056 -9.9056 -7.4939 -7.4939 -7.1209 -7.1209 -4.0486 -4.0486 -3.9959 -3.9959 -0.1727 -0.1727 9.2226 9.2226 13.3373 13.3373 14.3367 14.3367 k = 0.2478-0.4154-0.0000 ( 1307 PWs) bands (ev): -28.3520 -28.3520 -22.1300 -22.1300 -9.9177 -9.9177 -7.4876 -7.4876 -7.1081 -7.1081 -4.0489 -4.0489 -3.9884 -3.9884 -0.1622 -0.1622 9.1088 9.1088 13.4090 13.4090 14.4334 14.4334 k = 0.2426-0.4068-0.0000 ( 1303 PWs) bands (ev): -28.3548 -28.3548 -22.1274 -22.1274 -9.9298 -9.9298 -7.4802 -7.4802 -7.0955 -7.0955 -4.0494 -4.0494 -3.9800 -3.9800 -0.1517 -0.1517 8.9945 8.9945 13.4830 13.4830 14.5330 14.5330 k = 0.2374-0.3981-0.0000 ( 1305 PWs) bands (ev): -28.3577 -28.3577 -22.1249 -22.1249 -9.9418 -9.9418 -7.4720 -7.4720 -7.0830 -7.0830 -4.0499 -4.0499 -3.9711 -3.9711 -0.1414 -0.1414 8.8799 8.8799 13.5593 13.5593 14.6351 14.6351 k = 0.2323-0.3895-0.0000 ( 1305 PWs) bands (ev): -28.3607 -28.3607 -22.1225 -22.1225 -9.9539 -9.9539 -7.4628 -7.4628 -7.0707 -7.0707 -4.0501 -4.0501 -3.9620 -3.9620 -0.1313 -0.1313 8.7652 8.7652 13.6380 13.6380 14.7398 14.7398 k = 0.2271-0.3808-0.0000 ( 1305 PWs) bands (ev): -28.3638 -28.3638 -22.1201 -22.1201 -9.9659 -9.9659 -7.4526 -7.4526 -7.0585 -7.0585 -4.0499 -4.0499 -3.9528 -3.9528 -0.1212 -0.1212 8.6507 8.6507 13.7189 13.7189 14.8468 14.8468 k = 0.2219-0.3722-0.0000 ( 1305 PWs) bands (ev): -28.3669 -28.3669 -22.1179 -22.1179 -9.9778 -9.9778 -7.4415 -7.4415 -7.0465 -7.0465 -4.0493 -4.0493 -3.9436 -3.9436 -0.1113 -0.1113 8.5364 8.5364 13.8021 13.8021 14.9559 14.9559 k = 0.2168-0.3635-0.0000 ( 1305 PWs) bands (ev): -28.3700 -28.3700 -22.1157 -22.1157 -9.9897 -9.9897 -7.4296 -7.4296 -7.0346 -7.0346 -4.0481 -4.0481 -3.9344 -3.9344 -0.1015 -0.1015 8.4225 8.4225 13.8876 13.8876 15.0667 15.0667 k = 0.2116-0.3549-0.0000 ( 1303 PWs) bands (ev): -28.3732 -28.3732 -22.1136 -22.1136 -10.0015 -10.0015 -7.4167 -7.4167 -7.0230 -7.0230 -4.0465 -4.0465 -3.9252 -3.9252 -0.0919 -0.0919 8.3092 8.3092 13.9753 13.9753 15.1788 15.1788 k = 0.2065-0.3462-0.0000 ( 1305 PWs) bands (ev): -28.3765 -28.3765 -22.1115 -22.1115 -10.0131 -10.0131 -7.4030 -7.4030 -7.0116 -7.0116 -4.0443 -4.0443 -3.9162 -3.9162 -0.0824 -0.0824 8.1965 8.1965 14.0651 14.0651 15.2912 15.2912 k = 0.2013-0.3375-0.0000 ( 1311 PWs) bands (ev): -28.3798 -28.3798 -22.1096 -22.1096 -10.0247 -10.0247 -7.3885 -7.3885 -7.0004 -7.0004 -4.0416 -4.0416 -3.9073 -3.9073 -0.0731 -0.0731 8.0847 8.0847 14.1571 14.1571 15.4028 15.4028 k = 0.1961-0.3289-0.0000 ( 1311 PWs) bands (ev): -28.3831 -28.3831 -22.1078 -22.1078 -10.0361 -10.0361 -7.3732 -7.3732 -6.9894 -6.9894 -4.0384 -4.0384 -3.8986 -3.8986 -0.0640 -0.0640 7.9739 7.9739 14.2510 14.2510 15.5112 15.5112 k = 0.1910-0.3202-0.0000 ( 1309 PWs) bands (ev): -28.3865 -28.3865 -22.1060 -22.1060 -10.0474 -10.0474 -7.3571 -7.3571 -6.9786 -6.9786 -4.0347 -4.0347 -3.8900 -3.8900 -0.0550 -0.0550 7.8641 7.8641 14.3468 14.3468 15.6124 15.6124 k = 0.1858-0.3116-0.0000 ( 1309 PWs) bands (ev): -28.3899 -28.3899 -22.1043 -22.1043 -10.0586 -10.0586 -7.3404 -7.3404 -6.9681 -6.9681 -4.0305 -4.0305 -3.8816 -3.8816 -0.0463 -0.0463 7.7555 7.7555 14.4442 14.4442 15.6995 15.6995 k = 0.1807-0.3029-0.0000 ( 1305 PWs) bands (ev): -28.3933 -28.3933 -22.1027 -22.1027 -10.0695 -10.0695 -7.3229 -7.3229 -6.9578 -6.9578 -4.0259 -4.0259 -3.8733 -3.8733 -0.0377 -0.0377 7.6483 7.6483 14.5431 14.5431 15.7635 15.7635 k = 0.1755-0.2943-0.0000 ( 1303 PWs) bands (ev): -28.3967 -28.3967 -22.1011 -22.1011 -10.0803 -10.0803 -7.3049 -7.3049 -6.9478 -6.9478 -4.0208 -4.0208 -3.8653 -3.8653 -0.0293 -0.0293 7.5424 7.5424 14.6432 14.6432 15.7975 15.7975 k = 0.1703-0.2856-0.0000 ( 1307 PWs) bands (ev): -28.4001 -28.4001 -22.0997 -22.0997 -10.0910 -10.0910 -7.2863 -7.2863 -6.9381 -6.9381 -4.0153 -4.0153 -3.8574 -3.8574 -0.0211 -0.0211 7.4381 7.4381 14.7441 14.7441 15.8041 15.8041 k = 0.1652-0.2770-0.0000 ( 1305 PWs) bands (ev): -28.4035 -28.4035 -22.0983 -22.0983 -10.1014 -10.1014 -7.2672 -7.2672 -6.9286 -6.9286 -4.0095 -4.0095 -3.8497 -3.8497 -0.0131 -0.0131 7.3354 7.3354 14.8452 14.8452 15.7919 15.7919 k = 0.1600-0.2683-0.0000 ( 1301 PWs) bands (ev): -28.4069 -28.4069 -22.0970 -22.0970 -10.1116 -10.1116 -7.2476 -7.2476 -6.9194 -6.9194 -4.0033 -4.0033 -3.8423 -3.8423 -0.0054 -0.0054 7.2344 7.2344 14.9461 14.9461 15.7687 15.7687 k = 0.1548-0.2597-0.0000 ( 1299 PWs) bands (ev): -28.4103 -28.4103 -22.0958 -22.0958 -10.1216 -10.1216 -7.2276 -7.2276 -6.9104 -6.9104 -3.9967 -3.9967 -3.8350 -3.8350 0.0022 0.0022 7.1353 7.1353 15.0459 15.0459 15.7396 15.7396 k = 0.1497-0.2510-0.0000 ( 1301 PWs) bands (ev): -28.4137 -28.4137 -22.0947 -22.0947 -10.1314 -10.1314 -7.2073 -7.2073 -6.9018 -6.9018 -3.9899 -3.9899 -3.8280 -3.8280 0.0095 0.0095 7.0381 7.0381 15.1435 15.1435 15.7074 15.7074 k = 0.1445-0.2423-0.0000 ( 1299 PWs) bands (ev): -28.4170 -28.4170 -22.0936 -22.0936 -10.1409 -10.1409 -7.1868 -7.1868 -6.8934 -6.8934 -3.9829 -3.9829 -3.8212 -3.8212 0.0167 0.0167 6.9429 6.9429 15.2377 15.2377 15.6738 15.6738 k = 0.1394-0.2337-0.0000 ( 1299 PWs) bands (ev): -28.4203 -28.4203 -22.0926 -22.0926 -10.1502 -10.1502 -7.1660 -7.1660 -6.8853 -6.8853 -3.9756 -3.9756 -3.8146 -3.8146 0.0236 0.0236 6.8499 6.8499 15.3269 15.3269 15.6396 15.6396 k = 0.1342-0.2250-0.0000 ( 1299 PWs) bands (ev): -28.4235 -28.4235 -22.0917 -22.0917 -10.1593 -10.1593 -7.1451 -7.1451 -6.8775 -6.8775 -3.9681 -3.9681 -3.8083 -3.8083 0.0302 0.0302 6.7592 6.7592 15.4092 15.4092 15.6056 15.6056 k = 0.1290-0.2164-0.0000 ( 1295 PWs) bands (ev): -28.4267 -28.4267 -22.0908 -22.0908 -10.1681 -10.1681 -7.1241 -7.1241 -6.8700 -6.8700 -3.9605 -3.9605 -3.8021 -3.8021 0.0367 0.0367 6.6708 6.6708 15.4826 15.4826 15.5722 15.5722 k = 0.1239-0.2077-0.0000 ( 1295 PWs) bands (ev): -28.4299 -28.4299 -22.0900 -22.0900 -10.1766 -10.1766 -7.1031 -7.1031 -6.8627 -6.8627 -3.9528 -3.9528 -3.7962 -3.7962 0.0429 0.0429 6.5848 6.5848 15.5385 15.5385 15.5462 15.5462 k = 0.1187-0.1991-0.0000 ( 1297 PWs) bands (ev): -28.4329 -28.4329 -22.0893 -22.0893 -10.1849 -10.1849 -7.0822 -7.0822 -6.8558 -6.8558 -3.9450 -3.9450 -3.7906 -3.7906 0.0488 0.0488 6.5014 6.5014 15.5076 15.5076 15.5956 15.5956 k = 0.1136-0.1904-0.0000 ( 1297 PWs) bands (ev): -28.4359 -28.4359 -22.0886 -22.0886 -10.1928 -10.1928 -7.0615 -7.0615 -6.8491 -6.8491 -3.9373 -3.9373 -3.7851 -3.7851 0.0546 0.0546 6.4206 6.4206 15.4770 15.4770 15.6329 15.6329 k = 0.1084-0.1818-0.0000 ( 1299 PWs) bands (ev): -28.4389 -28.4389 -22.0880 -22.0880 -10.2005 -10.2005 -7.0410 -7.0410 -6.8427 -6.8427 -3.9295 -3.9295 -3.7799 -3.7799 0.0601 0.0601 6.3426 6.3426 15.4475 15.4475 15.6576 15.6576 k = 0.1032-0.1731-0.0000 ( 1297 PWs) bands (ev): -28.4417 -28.4417 -22.0874 -22.0874 -10.2079 -10.2079 -7.0208 -7.0208 -6.8366 -6.8366 -3.9217 -3.9217 -3.7749 -3.7749 0.0653 0.0653 6.2674 6.2674 15.4193 15.4193 15.6709 15.6709 k = 0.0981-0.1644-0.0000 ( 1297 PWs) bands (ev): -28.4444 -28.4444 -22.0869 -22.0869 -10.2149 -10.2149 -7.0010 -7.0010 -6.8307 -6.8307 -3.9141 -3.9141 -3.7702 -3.7702 0.0703 0.0703 6.1951 6.1951 15.3923 15.3923 15.6745 15.6745 k = 0.0929-0.1558-0.0000 ( 1295 PWs) bands (ev): -28.4471 -28.4471 -22.0864 -22.0864 -10.2216 -10.2216 -6.9817 -6.9817 -6.8251 -6.8251 -3.9066 -3.9066 -3.7657 -3.7657 0.0751 0.0751 6.1259 6.1259 15.3667 15.3667 15.6704 15.6704 k = 0.0877-0.1471-0.0000 ( 1293 PWs) bands (ev): -28.4496 -28.4496 -22.0859 -22.0859 -10.2280 -10.2280 -6.9630 -6.9630 -6.8198 -6.8198 -3.8993 -3.8993 -3.7614 -3.7614 0.0796 0.0796 6.0598 6.0598 15.3424 15.3424 15.6603 15.6603 k = 0.0826-0.1385-0.0000 ( 1295 PWs) bands (ev): -28.4520 -28.4520 -22.0856 -22.0856 -10.2341 -10.2341 -6.9449 -6.9449 -6.8147 -6.8147 -3.8922 -3.8922 -3.7574 -3.7574 0.0838 0.0838 5.9969 5.9969 15.3194 15.3194 15.6459 15.6459 k = 0.0774-0.1298-0.0000 ( 1295 PWs) bands (ev): -28.4543 -28.4543 -22.0852 -22.0852 -10.2399 -10.2399 -6.9275 -6.9275 -6.8099 -6.8099 -3.8853 -3.8853 -3.7536 -3.7536 0.0878 0.0878 5.9373 5.9373 15.2979 15.2979 15.6286 15.6286 k = 0.0723-0.1212-0.0000 ( 1293 PWs) bands (ev): -28.4565 -28.4565 -22.0849 -22.0849 -10.2453 -10.2453 -6.9110 -6.9110 -6.8052 -6.8052 -3.8786 -3.8786 -3.7500 -3.7500 0.0916 0.0916 5.8812 5.8812 15.2777 15.2777 15.6094 15.6094 k = 0.0671-0.1125-0.0000 ( 1293 PWs) bands (ev): -28.4586 -28.4586 -22.0846 -22.0846 -10.2503 -10.2503 -6.8954 -6.8954 -6.8008 -6.8008 -3.8723 -3.8723 -3.7467 -3.7467 0.0950 0.0950 5.8284 5.8284 15.2589 15.2589 15.5891 15.5891 k = 0.0619-0.1039-0.0000 ( 1293 PWs) bands (ev): -28.4605 -28.4605 -22.0843 -22.0843 -10.2550 -10.2550 -6.8808 -6.8808 -6.7965 -6.7965 -3.8664 -3.8664 -3.7436 -3.7436 0.0983 0.0983 5.7793 5.7793 15.2415 15.2415 15.5685 15.5685 k = 0.0568-0.0952-0.0000 ( 1295 PWs) bands (ev): -28.4623 -28.4623 -22.0841 -22.0841 -10.2593 -10.2593 -6.8673 -6.8673 -6.7924 -6.7924 -3.8608 -3.8608 -3.7408 -3.7408 0.1013 0.1013 5.7337 5.7337 15.2254 15.2254 15.5481 15.5481 k = 0.0516-0.0866-0.0000 ( 1291 PWs) bands (ev): -28.4639 -28.4639 -22.0839 -22.0839 -10.2633 -10.2633 -6.8550 -6.8550 -6.7884 -6.7884 -3.8555 -3.8555 -3.7382 -3.7382 0.1040 0.1040 5.6919 5.6919 15.2108 15.2108 15.5284 15.5284 k = 0.0465-0.0779-0.0000 ( 1291 PWs) bands (ev): -28.4654 -28.4654 -22.0837 -22.0837 -10.2669 -10.2669 -6.8439 -6.8439 -6.7845 -6.7845 -3.8508 -3.8508 -3.7358 -3.7358 0.1064 0.1064 5.6538 5.6538 15.1976 15.1976 15.5098 15.5098 k = 0.0413-0.0692-0.0000 ( 1291 PWs) bands (ev): -28.4668 -28.4668 -22.0836 -22.0836 -10.2702 -10.2702 -6.8343 -6.8343 -6.7807 -6.7807 -3.8464 -3.8464 -3.7337 -3.7337 0.1087 0.1087 5.6196 5.6196 15.1858 15.1858 15.4925 15.4925 k = 0.0361-0.0606-0.0000 ( 1289 PWs) bands (ev): -28.4680 -28.4680 -22.0835 -22.0835 -10.2730 -10.2730 -6.8260 -6.8260 -6.7769 -6.7769 -3.8425 -3.8425 -3.7318 -3.7318 0.1106 0.1106 5.5892 5.5892 15.1753 15.1753 15.4767 15.4767 k = 0.0310-0.0519-0.0000 ( 1287 PWs) bands (ev): -28.4690 -28.4690 -22.0833 -22.0833 -10.2755 -10.2755 -6.8191 -6.8191 -6.7733 -6.7733 -3.8391 -3.8391 -3.7302 -3.7302 0.1123 0.1123 5.5628 5.5628 15.1663 15.1663 15.4627 15.4627 k = 0.0258-0.0433-0.0000 ( 1285 PWs) bands (ev): -28.4699 -28.4699 -22.0833 -22.0833 -10.2776 -10.2776 -6.8135 -6.8135 -6.7699 -6.7699 -3.8362 -3.8362 -3.7288 -3.7288 0.1137 0.1137 5.5404 5.5404 15.1586 15.1586 15.4507 15.4507 k = 0.0206-0.0346-0.0000 ( 1283 PWs) bands (ev): -28.4706 -28.4706 -22.0832 -22.0832 -10.2794 -10.2794 -6.8092 -6.8092 -6.7668 -6.7668 -3.8338 -3.8338 -3.7277 -3.7277 0.1149 0.1149 5.5220 5.5220 15.1524 15.1524 15.4406 15.4406 k = 0.0155-0.0260-0.0000 ( 1283 PWs) bands (ev): -28.4712 -28.4712 -22.0831 -22.0831 -10.2807 -10.2807 -6.8060 -6.8060 -6.7642 -6.7642 -3.8319 -3.8319 -3.7268 -3.7268 0.1158 0.1158 5.5076 5.5076 15.1475 15.1475 15.4327 15.4327 k = 0.0103-0.0173-0.0000 ( 1283 PWs) bands (ev): -28.4716 -28.4716 -22.0831 -22.0831 -10.2817 -10.2817 -6.8038 -6.8038 -6.7622 -6.7622 -3.8306 -3.8306 -3.7262 -3.7262 0.1165 0.1165 5.4974 5.4974 15.1441 15.1441 15.4270 15.4270 k = 0.0052-0.0087-0.0000 ( 1279 PWs) bands (ev): -28.4719 -28.4719 -22.0831 -22.0831 -10.2822 -10.2822 -6.8026 -6.8026 -6.7610 -6.7610 -3.8298 -3.8298 -3.7258 -3.7258 0.1168 0.1168 5.4912 5.4912 15.1420 15.1420 15.4236 15.4236 k = 0.0000 0.0000 0.0000 ( 1275 PWs) bands (ev): -28.4719 -28.4719 -22.0831 -22.0831 -10.2824 -10.2824 -6.8021 -6.8021 -6.7605 -6.7605 -3.8295 -3.8295 -3.7257 -3.7257 0.1170 0.1170 5.4892 5.4892 15.1413 15.1413 15.4225 15.4225 k = 0.0000 0.0000 0.0000 ( 1275 PWs) bands (ev): -28.4719 -28.4719 -22.0831 -22.0831 -10.2824 -10.2824 -6.8021 -6.8021 -6.7605 -6.7605 -3.8295 -3.8295 -3.7257 -3.7257 0.1170 0.1170 5.4892 5.4892 15.1413 15.1413 15.4225 15.4225 k = 0.0086-0.0047-0.0028 ( 1278 PWs) bands (ev): -28.4719 -28.4719 -22.0831 -22.0831 -10.2822 -10.2822 -6.8026 -6.8026 -6.7610 -6.7610 -3.8297 -3.8297 -3.7259 -3.7259 0.1167 0.1167 5.4912 5.4912 15.1287 15.1287 15.4370 15.4370 k = 0.0172-0.0093-0.0056 ( 1280 PWs) bands (ev): -28.4716 -28.4716 -22.0832 -22.0832 -10.2814 -10.2814 -6.8038 -6.8038 -6.7622 -6.7622 -3.8301 -3.8301 -3.7264 -3.7264 0.1160 0.1160 5.4975 5.4975 15.0968 15.0968 15.4748 15.4748 k = 0.0259-0.0140-0.0084 ( 1283 PWs) bands (ev): -28.4712 -28.4712 -22.0834 -22.0834 -10.2801 -10.2801 -6.8061 -6.8061 -6.7641 -6.7641 -3.8309 -3.8309 -3.7273 -3.7273 0.1149 0.1149 5.5079 5.5079 15.0549 15.0549 15.5264 15.5264 k = 0.0345-0.0186-0.0112 ( 1285 PWs) bands (ev): -28.4706 -28.4706 -22.0837 -22.0837 -10.2783 -10.2783 -6.8094 -6.8094 -6.7665 -6.7665 -3.8320 -3.8320 -3.7286 -3.7286 0.1133 0.1133 5.5224 5.5224 15.0089 15.0089 15.5859 15.5859 k = 0.0431-0.0233-0.0140 ( 1285 PWs) bands (ev): -28.4698 -28.4698 -22.0840 -22.0840 -10.2760 -10.2760 -6.8140 -6.8140 -6.7692 -6.7692 -3.8334 -3.8334 -3.7302 -3.7302 0.1112 0.1112 5.5410 5.5410 14.9619 14.9619 15.6502 15.6502 k = 0.0517-0.0279-0.0168 ( 1286 PWs) bands (ev): -28.4688 -28.4688 -22.0844 -22.0844 -10.2731 -10.2731 -6.8200 -6.8200 -6.7721 -6.7721 -3.8351 -3.8351 -3.7322 -3.7322 0.1086 0.1086 5.5638 5.5638 14.9151 14.9151 15.7177 15.7177 k = 0.0603-0.0326-0.0196 ( 1288 PWs) bands (ev): -28.4677 -28.4677 -22.0849 -22.0849 -10.2698 -10.2698 -6.8276 -6.8276 -6.7750 -6.7750 -3.8371 -3.8371 -3.7345 -3.7345 0.1057 0.1057 5.5905 5.5905 14.8694 14.8694 15.7874 15.7874 k = 0.0690-0.0373-0.0224 ( 1292 PWs) bands (ev): -28.4664 -28.4664 -22.0854 -22.0854 -10.2659 -10.2659 -6.8369 -6.8369 -6.7777 -6.7777 -3.8394 -3.8394 -3.7371 -3.7371 0.1023 0.1023 5.6212 5.6212 14.8252 14.8252 15.8585 15.8585 k = 0.0776-0.0419-0.0251 ( 1294 PWs) bands (ev): -28.4650 -28.4650 -22.0860 -22.0860 -10.2616 -10.2616 -6.8477 -6.8477 -6.7803 -6.7803 -3.8420 -3.8420 -3.7400 -3.7400 0.0985 0.0985 5.6559 5.6559 14.7828 14.7828 15.9305 15.9305 k = 0.0862-0.0466-0.0279 ( 1295 PWs) bands (ev): -28.4634 -28.4634 -22.0867 -22.0867 -10.2568 -10.2568 -6.8601 -6.8601 -6.7828 -6.7828 -3.8448 -3.8448 -3.7432 -3.7432 0.0943 0.0943 5.6945 5.6945 14.7425 14.7425 16.0026 16.0026 k = 0.0948-0.0512-0.0307 ( 1297 PWs) bands (ev): -28.4616 -28.4616 -22.0874 -22.0874 -10.2516 -10.2516 -6.8739 -6.8739 -6.7852 -6.7852 -3.8480 -3.8480 -3.7467 -3.7467 0.0896 0.0896 5.7368 5.7368 14.7042 14.7042 16.0740 16.0740 k = 0.1034-0.0559-0.0335 ( 1299 PWs) bands (ev): -28.4597 -28.4597 -22.0882 -22.0882 -10.2459 -10.2459 -6.8891 -6.8891 -6.7875 -6.7875 -3.8514 -3.8514 -3.7505 -3.7505 0.0847 0.0847 5.7830 5.7830 14.6681 14.6681 16.1434 16.1434 k = 0.1121-0.0605-0.0363 ( 1298 PWs) bands (ev): -28.4577 -28.4577 -22.0891 -22.0891 -10.2397 -10.2397 -6.9056 -6.9056 -6.7899 -6.7899 -3.8550 -3.8550 -3.7545 -3.7545 0.0793 0.0793 5.8328 5.8328 14.6342 14.6342 16.2093 16.2093 k = 0.1207-0.0652-0.0391 ( 1297 PWs) bands (ev): -28.4555 -28.4555 -22.0900 -22.0900 -10.2331 -10.2331 -6.9233 -6.9233 -6.7922 -6.7922 -3.8589 -3.8589 -3.7588 -3.7588 0.0736 0.0736 5.8862 5.8862 14.6026 14.6026 16.2692 16.2692 k = 0.1293-0.0699-0.0419 ( 1294 PWs) bands (ev): -28.4531 -28.4531 -22.0910 -22.0910 -10.2261 -10.2261 -6.9420 -6.9420 -6.7945 -6.7945 -3.8631 -3.8631 -3.7633 -3.7633 0.0676 0.0676 5.9431 5.9431 14.5733 14.5733 16.3196 16.3196 k = 0.1379-0.0745-0.0447 ( 1291 PWs) bands (ev): -28.4507 -28.4507 -22.0920 -22.0920 -10.2187 -10.2187 -6.9619 -6.9619 -6.7969 -6.7969 -3.8674 -3.8674 -3.7680 -3.7680 0.0612 0.0612 6.0035 6.0035 14.5462 14.5462 16.3552 16.3552 k = 0.1466-0.0792-0.0475 ( 1291 PWs) bands (ev): -28.4482 -28.4482 -22.0931 -22.0931 -10.2110 -10.2110 -6.9826 -6.9826 -6.7993 -6.7993 -3.8720 -3.8720 -3.7728 -3.7728 0.0546 0.0546 6.0673 6.0673 14.5214 14.5214 16.3687 16.3687 k = 0.1552-0.0838-0.0503 ( 1291 PWs) bands (ev): -28.4455 -28.4455 -22.0942 -22.0942 -10.2029 -10.2029 -7.0043 -7.0043 -6.8018 -6.8018 -3.8768 -3.8768 -3.7778 -3.7778 0.0477 0.0477 6.1343 6.1343 14.4988 14.4988 16.3523 16.3523 k = 0.1638-0.0885-0.0531 ( 1291 PWs) bands (ev): -28.4427 -28.4427 -22.0953 -22.0953 -10.1944 -10.1944 -7.0267 -7.0267 -6.8043 -6.8043 -3.8817 -3.8817 -3.7830 -3.7830 0.0406 0.0406 6.2044 6.2044 14.4784 14.4784 16.3014 16.3014 k = 0.1724-0.0931-0.0559 ( 1289 PWs) bands (ev): -28.4399 -28.4399 -22.0965 -22.0965 -10.1856 -10.1856 -7.0499 -7.0499 -6.8069 -6.8069 -3.8868 -3.8868 -3.7882 -3.7882 0.0332 0.0332 6.2777 6.2777 14.4601 14.4601 16.2175 16.2175 k = 0.1810-0.0978-0.0587 ( 1285 PWs) bands (ev): -28.4369 -28.4369 -22.0977 -22.0977 -10.1765 -10.1765 -7.0737 -7.0737 -6.8095 -6.8095 -3.8921 -3.8921 -3.7936 -3.7936 0.0256 0.0256 6.3540 6.3540 14.4439 14.4439 16.1076 16.1076 k = 0.1897-0.1025-0.0615 ( 1288 PWs) bands (ev): -28.4339 -28.4339 -22.0990 -22.0990 -10.1671 -10.1671 -7.0981 -7.0981 -6.8121 -6.8121 -3.8975 -3.8975 -3.7990 -3.7990 0.0178 0.0178 6.4331 6.4331 14.4295 14.4295 15.9796 15.9796 k = 0.1983-0.1071-0.0643 ( 1289 PWs) bands (ev): -28.4308 -28.4308 -22.1003 -22.1003 -10.1575 -10.1575 -7.1230 -7.1230 -6.8148 -6.8148 -3.9031 -3.9031 -3.8045 -3.8045 0.0098 0.0098 6.5151 6.5151 14.4168 14.4168 15.8403 15.8403 k = 0.2069-0.1118-0.0671 ( 1290 PWs) bands (ev): -28.4277 -28.4277 -22.1016 -22.1016 -10.1476 -10.1476 -7.1483 -7.1483 -6.8175 -6.8175 -3.9087 -3.9087 -3.8101 -3.8101 0.0017 0.0017 6.5997 6.5997 14.4055 14.4055 15.6941 15.6941 k = 0.2155-0.1164-0.0699 ( 1292 PWs) bands (ev): -28.4245 -28.4245 -22.1030 -22.1030 -10.1376 -10.1376 -7.1740 -7.1740 -6.8203 -6.8203 -3.9144 -3.9144 -3.8156 -3.8156 -0.0065 -0.0065 6.6869 6.6869 14.3952 14.3952 15.5446 15.5446 k = 0.2241-0.1211-0.0726 ( 1293 PWs) bands (ev): -28.4212 -28.4212 -22.1043 -22.1043 -10.1273 -10.1273 -7.1999 -7.1999 -6.8230 -6.8230 -3.9202 -3.9202 -3.8212 -3.8212 -0.0149 -0.0149 6.7767 6.7767 14.3851 14.3851 15.3942 15.3942 k = 0.2328-0.1257-0.0754 ( 1292 PWs) bands (ev): -28.4180 -28.4180 -22.1057 -22.1057 -10.1169 -10.1169 -7.2260 -7.2260 -6.8258 -6.8258 -3.9260 -3.9260 -3.8268 -3.8268 -0.0233 -0.0233 6.8689 6.8689 14.3741 14.3741 15.2454 15.2454 k = 0.2414-0.1304-0.0782 ( 1292 PWs) bands (ev): -28.4147 -28.4147 -22.1070 -22.1070 -10.1064 -10.1064 -7.2522 -7.2522 -6.8286 -6.8286 -3.9319 -3.9319 -3.8324 -3.8324 -0.0317 -0.0317 6.9634 6.9634 14.3603 14.3603 15.1010 15.1010 k = 0.2500-0.1351-0.0810 ( 1292 PWs) bands (ev): -28.4114 -28.4114 -22.1084 -22.1084 -10.0958 -10.0958 -7.2785 -7.2785 -6.8314 -6.8314 -3.9378 -3.9378 -3.8379 -3.8379 -0.0403 -0.0403 7.0601 7.0601 14.3401 14.3401 14.9649 14.9649 k = 0.2586-0.1397-0.0838 ( 1294 PWs) bands (ev): -28.4081 -28.4081 -22.1098 -22.1098 -10.0851 -10.0851 -7.3048 -7.3048 -6.8341 -6.8341 -3.9437 -3.9437 -3.8433 -3.8433 -0.0488 -0.0488 7.1589 7.1589 14.3076 14.3076 14.8437 14.8437 k = 0.2672-0.1444-0.0866 ( 1294 PWs) bands (ev): -28.4048 -28.4048 -22.1112 -22.1112 -10.0743 -10.0743 -7.3309 -7.3309 -6.8369 -6.8369 -3.9495 -3.9495 -3.8487 -3.8487 -0.0573 -0.0573 7.2598 7.2598 14.2543 14.2543 14.7460 14.7460 k = 0.2759-0.1490-0.0894 ( 1294 PWs) bands (ev): -28.4015 -28.4015 -22.1125 -22.1125 -10.0635 -10.0635 -7.3569 -7.3569 -6.8396 -6.8396 -3.9553 -3.9553 -3.8540 -3.8540 -0.0658 -0.0658 7.3626 7.3626 14.1734 14.1734 14.6788 14.6788 k = 0.2845-0.1537-0.0922 ( 1296 PWs) bands (ev): -28.3982 -28.3982 -22.1139 -22.1139 -10.0528 -10.0528 -7.3826 -7.3826 -6.8423 -6.8423 -3.9610 -3.9610 -3.8592 -3.8592 -0.0742 -0.0742 7.4672 7.4672 14.0665 14.0665 14.6408 14.6408 k = 0.2931-0.1583-0.0950 ( 1296 PWs) bands (ev): -28.3950 -28.3950 -22.1152 -22.1152 -10.0421 -10.0421 -7.4081 -7.4081 -6.8450 -6.8450 -3.9667 -3.9667 -3.8643 -3.8643 -0.0825 -0.0825 7.5737 7.5737 13.9414 13.9414 14.6240 14.6240 k = 0.3017-0.1630-0.0978 ( 1298 PWs) bands (ev): -28.3918 -28.3918 -22.1166 -22.1166 -10.0314 -10.0314 -7.4331 -7.4331 -6.8476 -6.8476 -3.9722 -3.9722 -3.8693 -3.8693 -0.0907 -0.0907 7.6817 7.6817 13.8056 13.8056 14.6212 14.6212 k = 0.3103-0.1677-0.1006 ( 1300 PWs) bands (ev): -28.3887 -28.3887 -22.1179 -22.1179 -10.0209 -10.0209 -7.4577 -7.4577 -6.8501 -6.8501 -3.9777 -3.9777 -3.8741 -3.8741 -0.0988 -0.0988 7.7914 7.7914 13.6639 13.6639 14.6274 14.6274 k = 0.3190-0.1723-0.1034 ( 1299 PWs) bands (ev): -28.3857 -28.3857 -22.1191 -22.1191 -10.0105 -10.0105 -7.4817 -7.4817 -6.8526 -6.8526 -3.9830 -3.9830 -3.8788 -3.8788 -0.1067 -0.1067 7.9026 7.9026 13.5192 13.5192 14.6398 14.6398 k = 0.3276-0.1770-0.1062 ( 1302 PWs) bands (ev): -28.3827 -28.3827 -22.1204 -22.1204 -10.0003 -10.0003 -7.5052 -7.5052 -6.8550 -6.8550 -3.9881 -3.9881 -3.8833 -3.8833 -0.1145 -0.1145 8.0152 8.0152 13.3730 13.3730 14.6569 14.6569 k = 0.3362-0.1816-0.1090 ( 1302 PWs) bands (ev): -28.3798 -28.3798 -22.1216 -22.1216 -9.9903 -9.9903 -7.5280 -7.5280 -6.8574 -6.8574 -3.9931 -3.9931 -3.8877 -3.8877 -0.1220 -0.1220 8.1291 8.1291 13.2262 13.2262 14.6777 14.6777 k = 0.3448-0.1863-0.1118 ( 1302 PWs) bands (ev): -28.3770 -28.3770 -22.1227 -22.1227 -9.9805 -9.9805 -7.5501 -7.5501 -6.8597 -6.8597 -3.9979 -3.9979 -3.8919 -3.8919 -0.1293 -0.1293 8.2443 8.2443 13.0795 13.0795 14.7016 14.7016 k = 0.3534-0.1909-0.1146 ( 1300 PWs) bands (ev): -28.3743 -28.3743 -22.1239 -22.1239 -9.9711 -9.9711 -7.5714 -7.5714 -6.8619 -6.8619 -4.0026 -4.0026 -3.8959 -3.8959 -0.1364 -0.1364 8.3607 8.3607 12.9331 12.9331 14.7281 14.7281 k = 0.3621-0.1956-0.1174 ( 1302 PWs) bands (ev): -28.3717 -28.3717 -22.1249 -22.1249 -9.9619 -9.9619 -7.5919 -7.5919 -6.8640 -6.8640 -4.0070 -4.0070 -3.8997 -3.8997 -0.1432 -0.1432 8.4781 8.4781 12.7874 12.7874 14.7569 14.7569 k = 0.3707-0.2003-0.1201 ( 1304 PWs) bands (ev): -28.3692 -28.3692 -22.1260 -22.1260 -9.9531 -9.9531 -7.6114 -7.6114 -6.8660 -6.8660 -4.0112 -4.0112 -3.9034 -3.9034 -0.1497 -0.1497 8.5965 8.5965 12.6425 12.6425 14.7877 14.7877 k = 0.3793-0.2049-0.1229 ( 1302 PWs) bands (ev): -28.3668 -28.3668 -22.1269 -22.1269 -9.9446 -9.9446 -7.6301 -7.6301 -6.8679 -6.8679 -4.0152 -4.0152 -3.9068 -3.9068 -0.1558 -0.1558 8.7159 8.7159 12.4985 12.4985 14.8204 14.8204 k = 0.3879-0.2096-0.1257 ( 1302 PWs) bands (ev): -28.3646 -28.3646 -22.1279 -22.1279 -9.9366 -9.9366 -7.6476 -7.6476 -6.8697 -6.8697 -4.0190 -4.0190 -3.9100 -3.9100 -0.1617 -0.1617 8.8361 8.8361 12.3556 12.3556 14.8546 14.8546 k = 0.3966-0.2142-0.1285 ( 1301 PWs) bands (ev): -28.3625 -28.3625 -22.1287 -22.1287 -9.9290 -9.9290 -7.6642 -7.6642 -6.8714 -6.8714 -4.0225 -4.0225 -3.9130 -3.9130 -0.1672 -0.1672 8.9570 8.9570 12.2138 12.2138 14.8902 14.8902 k = 0.4052-0.2189-0.1313 ( 1302 PWs) bands (ev): -28.3605 -28.3605 -22.1295 -22.1295 -9.9218 -9.9218 -7.6796 -7.6796 -6.8729 -6.8729 -4.0258 -4.0258 -3.9158 -3.9158 -0.1723 -0.1723 9.0785 9.0785 12.0733 12.0733 14.9269 14.9269 k = 0.4138-0.2235-0.1341 ( 1302 PWs) bands (ev): -28.3587 -28.3587 -22.1303 -22.1303 -9.9152 -9.9152 -7.6938 -7.6938 -6.8744 -6.8744 -4.0288 -4.0288 -3.9183 -3.9183 -0.1771 -0.1771 9.2005 9.2005 11.9341 11.9341 14.9644 14.9644 k = 0.4224-0.2282-0.1369 ( 1301 PWs) bands (ev): -28.3571 -28.3571 -22.1310 -22.1310 -9.9091 -9.9091 -7.7068 -7.7068 -6.8757 -6.8757 -4.0315 -4.0315 -3.9207 -3.9207 -0.1814 -0.1814 9.3228 9.3228 11.7964 11.7964 15.0025 15.0025 k = 0.4310-0.2329-0.1397 ( 1303 PWs) bands (ev): -28.3556 -28.3556 -22.1316 -22.1316 -9.9036 -9.9036 -7.7186 -7.7186 -6.8769 -6.8769 -4.0340 -4.0340 -3.9227 -3.9227 -0.1854 -0.1854 9.4451 9.4451 11.6604 11.6604 15.0408 15.0408 k = 0.4397-0.2375-0.1425 ( 1303 PWs) bands (ev): -28.3542 -28.3542 -22.1321 -22.1321 -9.8986 -9.8986 -7.7291 -7.7291 -6.8779 -6.8779 -4.0362 -4.0362 -3.9246 -3.9246 -0.1889 -0.1889 9.5670 9.5670 11.5265 11.5265 15.0787 15.0787 k = 0.4483-0.2422-0.1453 ( 1299 PWs) bands (ev): -28.3531 -28.3531 -22.1326 -22.1326 -9.8943 -9.8943 -7.7383 -7.7383 -6.8789 -6.8789 -4.0381 -4.0381 -3.9262 -3.9262 -0.1919 -0.1919 9.6881 9.6881 11.3951 11.3951 15.1155 15.1155 k = 0.4569-0.2468-0.1481 ( 1298 PWs) bands (ev): -28.3521 -28.3521 -22.1330 -22.1330 -9.8906 -9.8906 -7.7461 -7.7461 -6.8796 -6.8796 -4.0397 -4.0397 -3.9276 -3.9276 -0.1945 -0.1945 9.8074 9.8074 11.2672 11.2672 15.1506 15.1506 k = 0.4655-0.2515-0.1509 ( 1298 PWs) bands (ev): -28.3513 -28.3513 -22.1333 -22.1333 -9.8875 -9.8875 -7.7525 -7.7525 -6.8803 -6.8803 -4.0411 -4.0411 -3.9287 -3.9287 -0.1967 -0.1967 9.9234 9.9234 11.1442 11.1442 15.1826 15.1826 k = 0.4741-0.2561-0.1537 ( 1300 PWs) bands (ev): -28.3507 -28.3507 -22.1336 -22.1336 -9.8851 -9.8851 -7.7575 -7.7575 -6.8808 -6.8808 -4.0421 -4.0421 -3.9296 -3.9296 -0.1983 -0.1983 10.0330 10.0330 11.0291 11.0291 15.2102 15.2102 k = 0.4828-0.2608-0.1565 ( 1299 PWs) bands (ev): -28.3502 -28.3502 -22.1338 -22.1338 -9.8834 -9.8834 -7.7611 -7.7611 -6.8811 -6.8811 -4.0428 -4.0428 -3.9302 -3.9302 -0.1995 -0.1995 10.1302 10.1302 10.9280 10.9280 15.2319 15.2319 k = 0.4914-0.2655-0.1593 ( 1301 PWs) bands (ev): -28.3499 -28.3499 -22.1339 -22.1339 -9.8824 -9.8824 -7.7633 -7.7633 -6.8814 -6.8814 -4.0433 -4.0433 -3.9306 -3.9306 -0.2003 -0.2003 10.2027 10.2027 10.8531 10.8531 15.2457 15.2457 k = 0.5000-0.2701-0.1621 ( 1302 PWs) bands (ev): -28.3498 -28.3498 -22.1340 -22.1340 -9.8820 -9.8820 -7.7640 -7.7640 -6.8814 -6.8814 -4.0434 -4.0434 -3.9307 -3.9307 -0.2005 -0.2005 10.2309 10.2309 10.8241 10.8241 15.2505 15.2505 k = 0.5000-0.2701 0.2876 ( 1290 PWs) bands (ev): -28.3234 -28.3234 -22.2183 -22.2183 -9.6669 -9.6669 -7.5930 -7.5930 -7.1011 -7.1011 -4.3053 -4.3053 -3.6039 -3.6039 -0.4660 -0.4660 10.5227 10.5227 11.3563 11.3563 13.3698 13.3698 k = 0.4921-0.2658 0.2831 ( 1289 PWs) bands (ev): -28.3235 -28.3235 -22.2183 -22.2183 -9.6673 -9.6673 -7.5925 -7.5925 -7.1009 -7.1009 -4.3050 -4.3050 -3.6040 -3.6040 -0.4657 -0.4657 10.5048 10.5048 11.3744 11.3744 13.3691 13.3691 k = 0.4841-0.2615 0.2785 ( 1290 PWs) bands (ev): -28.3238 -28.3238 -22.2180 -22.2180 -9.6686 -9.6686 -7.5911 -7.5911 -7.1004 -7.1004 -4.3040 -4.3040 -3.6042 -3.6042 -0.4647 -0.4647 10.4551 10.4551 11.4247 11.4247 13.3670 13.3670 k = 0.4762-0.2573 0.2739 ( 1292 PWs) bands (ev): -28.3242 -28.3242 -22.2176 -22.2176 -9.6707 -9.6707 -7.5886 -7.5886 -7.0994 -7.0994 -4.3024 -4.3024 -3.6047 -3.6047 -0.4629 -0.4629 10.3820 10.3820 11.4986 11.4986 13.3637 13.3637 k = 0.4683-0.2530 0.2694 ( 1293 PWs) bands (ev): -28.3249 -28.3249 -22.2171 -22.2171 -9.6737 -9.6737 -7.5852 -7.5852 -7.0981 -7.0981 -4.3002 -4.3002 -3.6053 -3.6053 -0.4605 -0.4605 10.2937 10.2937 11.5882 11.5882 13.3591 13.3591 k = 0.4603-0.2487 0.2648 ( 1293 PWs) bands (ev): -28.3257 -28.3257 -22.2163 -22.2163 -9.6774 -9.6774 -7.5809 -7.5809 -7.0964 -7.0964 -4.2973 -4.2973 -3.6061 -3.6061 -0.4574 -0.4574 10.1955 10.1955 11.6880 11.6880 13.3535 13.3535 k = 0.4524-0.2444 0.2603 ( 1295 PWs) bands (ev): -28.3267 -28.3267 -22.2154 -22.2154 -9.6820 -9.6820 -7.5756 -7.5756 -7.0943 -7.0943 -4.2938 -4.2938 -3.6071 -3.6071 -0.4537 -0.4537 10.0911 10.0911 11.7944 11.7944 13.3472 13.3472 k = 0.4444-0.2401 0.2557 ( 1297 PWs) bands (ev): -28.3279 -28.3279 -22.2144 -22.2144 -9.6874 -9.6874 -7.5694 -7.5694 -7.0919 -7.0919 -4.2897 -4.2897 -3.6082 -3.6082 -0.4493 -0.4493 9.9825 9.9825 11.9052 11.9052 13.3402 13.3402 k = 0.4365-0.2358 0.2511 ( 1296 PWs) bands (ev): -28.3293 -28.3293 -22.2132 -22.2132 -9.6936 -9.6936 -7.5622 -7.5622 -7.0891 -7.0891 -4.2850 -4.2850 -3.6096 -3.6096 -0.4442 -0.4442 9.8712 9.8712 12.0192 12.0192 13.3329 13.3329 k = 0.4286-0.2315 0.2466 ( 1298 PWs) bands (ev): -28.3309 -28.3309 -22.2119 -22.2119 -9.7005 -9.7005 -7.5542 -7.5542 -7.0859 -7.0859 -4.2797 -4.2797 -3.6111 -3.6111 -0.4385 -0.4385 9.7580 9.7580 12.1353 12.1353 13.3257 13.3257 k = 0.4206-0.2272 0.2420 ( 1300 PWs) bands (ev): -28.3326 -28.3326 -22.2104 -22.2104 -9.7081 -9.7081 -7.5453 -7.5453 -7.0824 -7.0824 -4.2739 -4.2739 -3.6127 -3.6127 -0.4322 -0.4322 9.6435 9.6435 12.2529 12.2529 13.3188 13.3188 k = 0.4127-0.2230 0.2374 ( 1300 PWs) bands (ev): -28.3344 -28.3344 -22.2088 -22.2088 -9.7165 -9.7165 -7.5355 -7.5355 -7.0786 -7.0786 -4.2675 -4.2675 -3.6145 -3.6145 -0.4252 -0.4252 9.5282 9.5282 12.3712 12.3712 13.3128 13.3128 k = 0.4048-0.2187 0.2329 ( 1300 PWs) bands (ev): -28.3365 -28.3365 -22.2070 -22.2070 -9.7255 -9.7255 -7.5250 -7.5250 -7.0744 -7.0744 -4.2605 -4.2605 -3.6165 -3.6165 -0.4177 -0.4177 9.4123 9.4123 12.4896 12.4896 13.3083 13.3083 k = 0.3968-0.2144 0.2283 ( 1300 PWs) bands (ev): -28.3387 -28.3387 -22.2051 -22.2051 -9.7351 -9.7351 -7.5136 -7.5136 -7.0699 -7.0699 -4.2530 -4.2530 -3.6186 -3.6186 -0.4095 -0.4095 9.2962 9.2962 12.6073 12.6073 13.3063 13.3063 k = 0.3889-0.2101 0.2237 ( 1299 PWs) bands (ev): -28.3410 -28.3410 -22.2030 -22.2030 -9.7454 -9.7454 -7.5014 -7.5014 -7.0650 -7.0650 -4.2450 -4.2450 -3.6208 -3.6208 -0.4009 -0.4009 9.1800 9.1800 12.7228 12.7228 13.3082 13.3082 k = 0.3810-0.2058 0.2192 ( 1301 PWs) bands (ev): -28.3435 -28.3435 -22.2009 -22.2009 -9.7563 -9.7563 -7.4885 -7.4885 -7.0599 -7.0599 -4.2366 -4.2366 -3.6232 -3.6232 -0.3916 -0.3916 9.0638 9.0638 12.8336 12.8336 13.3167 13.3167 k = 0.3730-0.2015 0.2146 ( 1301 PWs) bands (ev): -28.3461 -28.3461 -22.1986 -22.1986 -9.7677 -9.7677 -7.4749 -7.4749 -7.0545 -7.0545 -4.2276 -4.2276 -3.6258 -3.6258 -0.3819 -0.3819 8.9478 8.9478 12.9350 12.9350 13.3365 13.3365 k = 0.3651-0.1972 0.2100 ( 1301 PWs) bands (ev): -28.3488 -28.3488 -22.1961 -22.1961 -9.7796 -9.7796 -7.4607 -7.4607 -7.0488 -7.0488 -4.2183 -4.2183 -3.6284 -3.6284 -0.3717 -0.3717 8.8321 8.8321 13.0196 13.0196 13.3751 13.3751 k = 0.3571-0.1929 0.2055 ( 1301 PWs) bands (ev): -28.3517 -28.3517 -22.1936 -22.1936 -9.7920 -9.7920 -7.4458 -7.4458 -7.0429 -7.0429 -4.2085 -4.2085 -3.6312 -3.6312 -0.3610 -0.3610 8.7169 8.7169 13.0806 13.0806 13.4397 13.4397 k = 0.3492-0.1887 0.2009 ( 1301 PWs) bands (ev): -28.3546 -28.3546 -22.1910 -22.1910 -9.8049 -9.8049 -7.4302 -7.4302 -7.0366 -7.0366 -4.1984 -4.1984 -3.6341 -3.6341 -0.3498 -0.3498 8.6022 8.6022 13.1186 13.1186 13.5296 13.5296 k = 0.3413-0.1844 0.1963 ( 1300 PWs) bands (ev): -28.3577 -28.3577 -22.1883 -22.1883 -9.8181 -9.8181 -7.4141 -7.4141 -7.0302 -7.0302 -4.1879 -4.1879 -3.6370 -3.6370 -0.3383 -0.3383 8.4882 8.4882 13.1414 13.1414 13.6374 13.6374 k = 0.3333-0.1801 0.1918 ( 1298 PWs) bands (ev): -28.3609 -28.3609 -22.1854 -22.1854 -9.8317 -9.8317 -7.3975 -7.3975 -7.0235 -7.0235 -4.1770 -4.1770 -3.6401 -3.6401 -0.3263 -0.3263 8.3748 8.3748 13.1560 13.1560 13.7559 13.7559 k = 0.3254-0.1758 0.1872 ( 1299 PWs) bands (ev): -28.3642 -28.3642 -22.1825 -22.1825 -9.8457 -9.8457 -7.3804 -7.3804 -7.0166 -7.0166 -4.1659 -4.1659 -3.6433 -3.6433 -0.3140 -0.3140 8.2623 8.2623 13.1667 13.1667 13.8809 13.8809 k = 0.3175-0.1715 0.1826 ( 1302 PWs) bands (ev): -28.3675 -28.3675 -22.1795 -22.1795 -9.8599 -9.8599 -7.3628 -7.3628 -7.0095 -7.0095 -4.1545 -4.1545 -3.6466 -3.6466 -0.3013 -0.3013 8.1507 8.1507 13.1760 13.1760 14.0103 14.0103 k = 0.3095-0.1672 0.1781 ( 1301 PWs) bands (ev): -28.3710 -28.3710 -22.1765 -22.1765 -9.8744 -9.8744 -7.3447 -7.3447 -7.0023 -7.0023 -4.1428 -4.1428 -3.6499 -3.6499 -0.2883 -0.2883 8.0401 8.0401 13.1852 13.1852 14.1428 14.1428 k = 0.3016-0.1629 0.1735 ( 1302 PWs) bands (ev): -28.3745 -28.3745 -22.1734 -22.1734 -9.8892 -9.8892 -7.3263 -7.3263 -6.9949 -6.9949 -4.1310 -4.1310 -3.6533 -3.6533 -0.2750 -0.2750 7.9307 7.9307 13.1950 13.1950 14.2777 14.2777 k = 0.2937-0.1586 0.1689 ( 1302 PWs) bands (ev): -28.3780 -28.3780 -22.1702 -22.1702 -9.9041 -9.9041 -7.3076 -7.3076 -6.9873 -6.9873 -4.1189 -4.1189 -3.6567 -3.6567 -0.2615 -0.2615 7.8223 7.8223 13.2059 13.2059 14.4147 14.4147 k = 0.2857-0.1544 0.1644 ( 1301 PWs) bands (ev): -28.3816 -28.3816 -22.1669 -22.1669 -9.9191 -9.9191 -7.2885 -7.2885 -6.9796 -6.9796 -4.1068 -4.1068 -3.6602 -3.6602 -0.2478 -0.2478 7.7153 7.7153 13.2182 13.2182 14.5534 14.5534 k = 0.2778-0.1501 0.1598 ( 1300 PWs) bands (ev): -28.3853 -28.3853 -22.1636 -22.1636 -9.9343 -9.9343 -7.2692 -7.2692 -6.9718 -6.9718 -4.0945 -4.0945 -3.6637 -3.6637 -0.2339 -0.2339 7.6097 7.6097 13.2323 13.2323 14.6937 14.6937 k = 0.2698-0.1458 0.1552 ( 1300 PWs) bands (ev): -28.3889 -28.3889 -22.1603 -22.1603 -9.9495 -9.9495 -7.2497 -7.2497 -6.9639 -6.9639 -4.0821 -4.0821 -3.6672 -3.6672 -0.2198 -0.2198 7.5055 7.5055 13.2482 13.2482 14.8353 14.8353 k = 0.2619-0.1415 0.1507 ( 1299 PWs) bands (ev): -28.3926 -28.3926 -22.1570 -22.1570 -9.9647 -9.9647 -7.2300 -7.2300 -6.9559 -6.9559 -4.0697 -4.0697 -3.6708 -3.6708 -0.2056 -0.2056 7.4028 7.4028 13.2661 13.2661 14.9783 14.9783 k = 0.2540-0.1372 0.1461 ( 1302 PWs) bands (ev): -28.3963 -28.3963 -22.1536 -22.1536 -9.9800 -9.9800 -7.2102 -7.2102 -6.9479 -6.9479 -4.0573 -4.0573 -3.6743 -3.6743 -0.1913 -0.1913 7.3018 7.3018 13.2862 13.2862 15.1225 15.1225 k = 0.2460-0.1329 0.1415 ( 1299 PWs) bands (ev): -28.4000 -28.4000 -22.1502 -22.1502 -9.9952 -9.9952 -7.1903 -7.1903 -6.9398 -6.9398 -4.0449 -4.0449 -3.6779 -3.6779 -0.1770 -0.1770 7.2026 7.2026 13.3085 13.3085 15.2677 15.2677 k = 0.2381-0.1286 0.1370 ( 1298 PWs) bands (ev): -28.4037 -28.4037 -22.1469 -22.1469 -10.0103 -10.0103 -7.1704 -7.1704 -6.9318 -6.9318 -4.0326 -4.0326 -3.6814 -3.6814 -0.1626 -0.1626 7.1052 7.1052 13.3331 13.3331 15.4138 15.4138 k = 0.2302-0.1243 0.1324 ( 1300 PWs) bands (ev): -28.4074 -28.4074 -22.1435 -22.1435 -10.0253 -10.0253 -7.1505 -7.1505 -6.9237 -6.9237 -4.0204 -4.0204 -3.6849 -3.6849 -0.1482 -0.1482 7.0097 7.0097 13.3601 13.3601 15.5607 15.5607 k = 0.2222-0.1201 0.1278 ( 1298 PWs) bands (ev): -28.4111 -28.4111 -22.1402 -22.1402 -10.0402 -10.0402 -7.1307 -7.1307 -6.9157 -6.9157 -4.0082 -4.0082 -3.6883 -3.6883 -0.1339 -0.1339 6.9162 6.9162 13.3896 13.3896 15.7082 15.7082 k = 0.2143-0.1158 0.1233 ( 1297 PWs) bands (ev): -28.4147 -28.4147 -22.1368 -22.1368 -10.0548 -10.0548 -7.1109 -7.1109 -6.9076 -6.9076 -3.9963 -3.9963 -3.6917 -3.6917 -0.1196 -0.1196 6.8249 6.8249 13.4215 13.4215 15.8559 15.8559 k = 0.2063-0.1115 0.1187 ( 1298 PWs) bands (ev): -28.4182 -28.4182 -22.1335 -22.1335 -10.0693 -10.0693 -7.0914 -7.0914 -6.8997 -6.8997 -3.9845 -3.9845 -3.6950 -3.6950 -0.1055 -0.1055 6.7358 6.7358 13.4560 13.4560 16.0035 16.0035 k = 0.1984-0.1072 0.1141 ( 1296 PWs) bands (ev): -28.4218 -28.4218 -22.1303 -22.1303 -10.0835 -10.0835 -7.0720 -7.0720 -6.8918 -6.8918 -3.9730 -3.9730 -3.6982 -3.6982 -0.0915 -0.0915 6.6490 6.6490 13.4930 13.4930 16.1506 16.1506 k = 0.1905-0.1029 0.1096 ( 1296 PWs) bands (ev): -28.4252 -28.4252 -22.1271 -22.1271 -10.0975 -10.0975 -7.0530 -7.0530 -6.8840 -6.8840 -3.9618 -3.9618 -3.7013 -3.7013 -0.0776 -0.0776 6.5646 6.5646 13.5326 13.5326 16.2963 16.2963 k = 0.1825-0.0986 0.1050 ( 1295 PWs) bands (ev): -28.4286 -28.4286 -22.1239 -22.1239 -10.1111 -10.1111 -7.0342 -7.0342 -6.8763 -6.8763 -3.9508 -3.9508 -3.7043 -3.7043 -0.0640 -0.0640 6.4827 6.4827 13.5749 13.5749 16.4396 16.4396 k = 0.1746-0.0943 0.1004 ( 1294 PWs) bands (ev): -28.4319 -28.4319 -22.1208 -22.1208 -10.1244 -10.1244 -7.0158 -7.0158 -6.8688 -6.8688 -3.9402 -3.9402 -3.7072 -3.7072 -0.0507 -0.0507 6.4034 6.4034 13.6197 13.6197 16.5785 16.5785 k = 0.1667-0.0900 0.0959 ( 1295 PWs) bands (ev): -28.4352 -28.4352 -22.1178 -22.1178 -10.1373 -10.1373 -6.9979 -6.9979 -6.8614 -6.8614 -3.9299 -3.9299 -3.7099 -3.7099 -0.0376 -0.0376 6.3268 6.3268 13.6673 13.6673 16.7101 16.7101 k = 0.1587-0.0858 0.0913 ( 1296 PWs) bands (ev): -28.4383 -28.4383 -22.1149 -22.1149 -10.1498 -10.1498 -6.9804 -6.9804 -6.8541 -6.8541 -3.9200 -3.9200 -3.7125 -3.7125 -0.0248 -0.0248 6.2530 6.2530 13.7175 13.7175 16.8290 16.8290 k = 0.1508-0.0815 0.0868 ( 1297 PWs) bands (ev): -28.4414 -28.4414 -22.1120 -22.1120 -10.1619 -10.1619 -6.9635 -6.9635 -6.8470 -6.8470 -3.9106 -3.9106 -3.7148 -3.7148 -0.0124 -0.0124 6.1821 6.1821 13.7704 13.7704 16.9259 16.9259 k = 0.1429-0.0772 0.0822 ( 1296 PWs) bands (ev): -28.4443 -28.4443 -22.1093 -22.1093 -10.1735 -10.1735 -6.9471 -6.9471 -6.8401 -6.8401 -3.9016 -3.9016 -3.7170 -3.7170 -0.0003 -0.0003 6.1142 6.1142 13.8259 13.8259 16.9874 16.9874 k = 0.1349-0.0729 0.0776 ( 1297 PWs) bands (ev): -28.4471 -28.4471 -22.1067 -22.1067 -10.1847 -10.1847 -6.9314 -6.9314 -6.8334 -6.8334 -3.8931 -3.8931 -3.7190 -3.7190 0.0113 0.0113 6.0493 6.0493 13.8841 13.8841 17.0018 17.0018 k = 0.1270-0.0686 0.0731 ( 1298 PWs) bands (ev): -28.4498 -28.4498 -22.1041 -22.1041 -10.1953 -10.1953 -6.9165 -6.9165 -6.8269 -6.8269 -3.8851 -3.8851 -3.7208 -3.7208 0.0225 0.0225 5.9876 5.9876 13.9450 13.9450 16.9700 16.9700 k = 0.1190-0.0643 0.0685 ( 1298 PWs) bands (ev): -28.4524 -28.4524 -22.1017 -22.1017 -10.2055 -10.2055 -6.9022 -6.9022 -6.8205 -6.8205 -3.8776 -3.8776 -3.7223 -3.7223 0.0332 0.0332 5.9291 5.9291 14.0086 14.0086 16.9043 16.9043 k = 0.1111-0.0600 0.0639 ( 1295 PWs) bands (ev): -28.4548 -28.4548 -22.0994 -22.0994 -10.2150 -10.2150 -6.8888 -6.8888 -6.8144 -6.8144 -3.8707 -3.8707 -3.7237 -3.7237 0.0433 0.0433 5.8739 5.8739 14.0747 14.0747 16.8177 16.8177 k = 0.1032-0.0557 0.0594 ( 1294 PWs) bands (ev): -28.4571 -28.4571 -22.0972 -22.0972 -10.2240 -10.2240 -6.8763 -6.8763 -6.8084 -6.8084 -3.8644 -3.8644 -3.7247 -3.7247 0.0530 0.0530 5.8222 5.8222 14.1435 14.1435 16.7188 16.7188 k = 0.0952-0.0515 0.0548 ( 1295 PWs) bands (ev): -28.4592 -28.4592 -22.0952 -22.0952 -10.2324 -10.2324 -6.8647 -6.8647 -6.8027 -6.8027 -3.8587 -3.8587 -3.7256 -3.7256 0.0620 0.0620 5.7739 5.7739 14.2148 14.2148 16.6128 16.6128 k = 0.0873-0.0472 0.0502 ( 1295 PWs) bands (ev): -28.4612 -28.4612 -22.0933 -22.0933 -10.2403 -10.2403 -6.8540 -6.8540 -6.7971 -6.7971 -3.8535 -3.8535 -3.7262 -3.7262 0.0705 0.0705 5.7292 5.7292 14.2886 14.2886 16.5030 16.5030 k = 0.0794-0.0429 0.0457 ( 1294 PWs) bands (ev): -28.4630 -28.4630 -22.0916 -22.0916 -10.2474 -10.2474 -6.8444 -6.8444 -6.7918 -6.7918 -3.8489 -3.8489 -3.7266 -3.7266 0.0783 0.0783 5.6882 5.6882 14.3649 14.3649 16.3911 16.3911 k = 0.0714-0.0386 0.0411 ( 1293 PWs) bands (ev): -28.4647 -28.4647 -22.0900 -22.0900 -10.2540 -10.2540 -6.8359 -6.8359 -6.7867 -6.7867 -3.8449 -3.8449 -3.7268 -3.7268 0.0855 0.0855 5.6508 5.6508 14.4436 14.4436 16.2784 16.2784 k = 0.0635-0.0343 0.0365 ( 1292 PWs) bands (ev): -28.4662 -28.4662 -22.0886 -22.0886 -10.2599 -10.2599 -6.8283 -6.8283 -6.7819 -6.7819 -3.8414 -3.8414 -3.7269 -3.7269 0.0920 0.0920 5.6172 5.6172 14.5246 14.5246 16.1658 16.1658 k = 0.0556-0.0300 0.0320 ( 1288 PWs) bands (ev): -28.4675 -28.4675 -22.0873 -22.0873 -10.2651 -10.2651 -6.8219 -6.8219 -6.7774 -6.7774 -3.8384 -3.8384 -3.7268 -3.7268 0.0977 0.0977 5.5874 5.5874 14.6078 14.6078 16.0539 16.0539 k = 0.0476-0.0257 0.0274 ( 1288 PWs) bands (ev): -28.4687 -28.4687 -22.0862 -22.0862 -10.2697 -10.2697 -6.8164 -6.8164 -6.7732 -6.7732 -3.8359 -3.8359 -3.7267 -3.7267 0.1028 0.1028 5.5615 5.5615 14.6928 14.6928 15.9435 15.9435 k = 0.0397-0.0214 0.0228 ( 1286 PWs) bands (ev): -28.4697 -28.4697 -22.0852 -22.0852 -10.2736 -10.2736 -6.8119 -6.8119 -6.7696 -6.7696 -3.8339 -3.8339 -3.7265 -3.7265 0.1071 0.1071 5.5395 5.5395 14.7795 14.7795 15.8349 15.8349 k = 0.0317-0.0172 0.0183 ( 1283 PWs) bands (ev): -28.4705 -28.4705 -22.0844 -22.0844 -10.2767 -10.2767 -6.8083 -6.8083 -6.7664 -6.7664 -3.8323 -3.8323 -3.7262 -3.7262 0.1106 0.1106 5.5214 5.5214 14.8671 14.8671 15.7292 15.7292 k = 0.0238-0.0129 0.0137 ( 1282 PWs) bands (ev): -28.4711 -28.4711 -22.0838 -22.0838 -10.2792 -10.2792 -6.8056 -6.8056 -6.7639 -6.7639 -3.8310 -3.8310 -3.7260 -3.7260 0.1134 0.1134 5.5073 5.5073 14.9544 14.9544 15.6278 15.6278 k = 0.0159-0.0086 0.0091 ( 1280 PWs) bands (ev): -28.4716 -28.4716 -22.0834 -22.0834 -10.2810 -10.2810 -6.8037 -6.8037 -6.7620 -6.7620 -3.8302 -3.8302 -3.7258 -3.7258 0.1154 0.1154 5.4972 5.4972 15.0381 15.0381 15.5338 15.5338 k = 0.0079-0.0043 0.0046 ( 1277 PWs) bands (ev): -28.4719 -28.4719 -22.0831 -22.0831 -10.2821 -10.2821 -6.8025 -6.8025 -6.7609 -6.7609 -3.8297 -3.8297 -3.7257 -3.7257 0.1166 0.1166 5.4912 5.4912 15.1092 15.1092 15.4567 15.4567 k = 0.0000 0.0000 0.0000 ( 1275 PWs) bands (ev): -28.4719 -28.4719 -22.0831 -22.0831 -10.2824 -10.2824 -6.8021 -6.8021 -6.7605 -6.7605 -3.8295 -3.8295 -3.7257 -3.7257 0.1170 0.1170 5.4892 5.4892 15.1413 15.1413 15.4225 15.4225 Writing output data file F2.save init_run : 0.06s CPU 0.17s WALL ( 1 calls) electrons : 31.13s CPU 32.14s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 31.12s CPU 32.13s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.00s CPU 0.00s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.01s WALL ( 490 calls) cegterg : 28.61s CPU 29.27s WALL ( 490 calls) Called by sum_band: Called by *egterg: h_psi : 12.45s CPU 12.78s WALL ( 6448 calls) s_psi : 0.19s CPU 0.18s WALL ( 6448 calls) g_psi : 0.04s CPU 0.03s WALL ( 5468 calls) cdiaghg : 15.66s CPU 16.06s WALL ( 5958 calls) cegterg:over : 0.82s CPU 0.85s WALL ( 5468 calls) cegterg:upda : 0.60s CPU 0.70s WALL ( 5468 calls) cegterg:last : 0.28s CPU 0.30s WALL ( 990 calls) cdiaghg:chol : 0.80s CPU 0.81s WALL ( 5958 calls) cdiaghg:inve : 0.14s CPU 0.16s WALL ( 5958 calls) cdiaghg:para : 1.12s CPU 1.14s WALL ( 11916 calls) Called by h_psi: h_psi:vloc : 11.82s CPU 12.15s WALL ( 6448 calls) h_psi:vnl : 0.60s CPU 0.61s WALL ( 6448 calls) add_vuspsi : 0.22s CPU 0.22s WALL ( 6448 calls) General routines calbec : 0.34s CPU 0.37s WALL ( 6448 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 11.09s CPU 11.37s WALL ( 332944 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.08s CPU 0.13s WALL ( 980 calls) Parallel routines fft_scatter : 6.22s CPU 6.33s WALL ( 332967 calls) PWSCF : 0m38.58s CPU 1m 0.02s WALL This run was terminated on: 18:28: 7 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=