Program PWSCF v.5.1.1 starts on 8Oct2015 at 17:12:21 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./NaNO2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 35 29 8 770 572 90 Max 36 30 9 774 587 93 Sum 1693 1397 411 37041 27759 4381 bravais-lattice index = 14 lattice parameter (alat) = 8.1439 a.u. unit-cell volume = 375.6871 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.143891 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.638381 celldm(5)= -0.227125 celldm(6)= -0.134494 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.134494 0.990914 0.000000 ) a(3) = ( -0.227125 -0.675061 0.701931 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.135728 0.454104 ) b(2) = ( 0.000000 1.009169 0.970538 ) b(3) = ( 0.000000 0.000000 1.424642 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Na read from file: /home/autes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Na 9.00 22.98980 Na( 1.00) N 5.00 14.00670 N( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 449 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022272 k( 2) = ( -0.0058107 0.0050753 0.0112790), wk = 0.0022272 k( 3) = ( -0.0116214 0.0101506 0.0225581), wk = 0.0022272 k( 4) = ( -0.0174321 0.0152259 0.0338371), wk = 0.0022272 k( 5) = ( -0.0232428 0.0203013 0.0451161), wk = 0.0022272 k( 6) = ( -0.0290535 0.0253766 0.0563951), wk = 0.0022272 k( 7) = ( -0.0348642 0.0304519 0.0676742), wk = 0.0022272 k( 8) = ( -0.0406750 0.0355272 0.0789532), wk = 0.0022272 k( 9) = ( -0.0464857 0.0406025 0.0902322), wk = 0.0022272 k( 10) = ( -0.0522964 0.0456778 0.1015113), wk = 0.0022272 k( 11) = ( -0.0581071 0.0507531 0.1127903), wk = 0.0022272 k( 12) = ( -0.0639178 0.0558284 0.1240693), wk = 0.0022272 k( 13) = ( -0.0697285 0.0609038 0.1353483), wk = 0.0022272 k( 14) = ( -0.0755392 0.0659791 0.1466274), wk = 0.0022272 k( 15) = ( -0.0813499 0.0710544 0.1579064), wk = 0.0022272 k( 16) = ( -0.0871606 0.0761297 0.1691854), wk = 0.0022272 k( 17) = ( -0.0929713 0.0812050 0.1804644), wk = 0.0022272 k( 18) = ( -0.0987820 0.0862803 0.1917435), wk = 0.0022272 k( 19) = ( -0.1045927 0.0913556 0.2030225), wk = 0.0022272 k( 20) = ( -0.1104035 0.0964310 0.2143015), wk = 0.0022272 k( 21) = ( -0.1162142 0.1015063 0.2255805), wk = 0.0022272 k( 22) = ( -0.1220249 0.1065816 0.2368596), wk = 0.0022272 k( 23) = ( -0.1278356 0.1116569 0.2481386), wk = 0.0022272 k( 24) = ( -0.1336463 0.1167322 0.2594176), wk = 0.0022272 k( 25) = ( -0.1394570 0.1218075 0.2706967), wk = 0.0022272 k( 26) = ( -0.1452677 0.1268828 0.2819757), wk = 0.0022272 k( 27) = ( -0.1510784 0.1319582 0.2932547), wk = 0.0022272 k( 28) = ( -0.1568891 0.1370335 0.3045337), wk = 0.0022272 k( 29) = ( -0.1626998 0.1421088 0.3158128), wk = 0.0022272 k( 30) = ( -0.1685106 0.1471841 0.3270918), wk = 0.0022272 k( 31) = ( -0.1743213 0.1522594 0.3383708), wk = 0.0022272 k( 32) = ( -0.1801320 0.1573347 0.3496499), wk = 0.0022272 k( 33) = ( -0.1859427 0.1624100 0.3609289), wk = 0.0022272 k( 34) = ( -0.1917534 0.1674853 0.3722079), wk = 0.0022272 k( 35) = ( -0.1975641 0.1725607 0.3834869), wk = 0.0022272 k( 36) = ( -0.2033748 0.1776360 0.3947660), wk = 0.0022272 k( 37) = ( -0.2091855 0.1827113 0.4060450), wk = 0.0022272 k( 38) = ( -0.2149962 0.1877866 0.4173240), wk = 0.0022272 k( 39) = ( -0.2208069 0.1928619 0.4286031), wk = 0.0022272 k( 40) = ( -0.2266176 0.1979372 0.4398821), wk = 0.0022272 k( 41) = ( -0.2324283 0.2030125 0.4511611), wk = 0.0022272 k( 42) = ( -0.2382391 0.2080879 0.4624401), wk = 0.0022272 k( 43) = ( -0.2440498 0.2131632 0.4737192), wk = 0.0022272 k( 44) = ( -0.2498605 0.2182385 0.4849982), wk = 0.0022272 k( 45) = ( -0.2556712 0.2233138 0.4962772), wk = 0.0022272 k( 46) = ( -0.2614819 0.2283891 0.5075562), wk = 0.0022272 k( 47) = ( -0.2672926 0.2334644 0.5188353), wk = 0.0022272 k( 48) = ( -0.2731033 0.2385397 0.5301143), wk = 0.0022272 k( 49) = ( -0.2789140 0.2436151 0.5413933), wk = 0.0022272 k( 50) = ( -0.2847247 0.2486904 0.5526723), wk = 0.0022272 k( 51) = ( -0.2905354 0.2537657 0.5639514), wk = 0.0022272 k( 52) = ( -0.2963461 0.2588410 0.5752304), wk = 0.0022272 k( 53) = ( -0.3021568 0.2639163 0.5865094), wk = 0.0022272 k( 54) = ( -0.3079676 0.2689916 0.5977885), wk = 0.0022272 k( 55) = ( -0.3137783 0.2740669 0.6090675), wk = 0.0022272 k( 56) = ( -0.3195890 0.2791422 0.6203465), wk = 0.0022272 k( 57) = ( -0.3253997 0.2842176 0.6316255), wk = 0.0022272 k( 58) = ( -0.3312104 0.2892929 0.6429046), wk = 0.0022272 k( 59) = ( -0.3370211 0.2943682 0.6541836), wk = 0.0022272 k( 60) = ( -0.3428318 0.2994435 0.6654626), wk = 0.0022272 k( 61) = ( -0.3486425 0.3045188 0.6767417), wk = 0.0022272 k( 62) = ( -0.3544532 0.3095941 0.6880207), wk = 0.0022272 k( 63) = ( -0.3544532 0.3095941 0.6880207), wk = 0.0022272 k( 64) = ( -0.3477642 0.3037516 0.6940957), wk = 0.0022272 k( 65) = ( -0.3410751 0.2979091 0.7001708), wk = 0.0022272 k( 66) = ( -0.3343860 0.2920666 0.7062459), wk = 0.0022272 k( 67) = ( -0.3276970 0.2862241 0.7123209), wk = 0.0022272 k( 68) = ( -0.3276970 0.2862241 0.7123209), wk = 0.0022272 k( 69) = ( -0.3174564 0.2772796 0.7123209), wk = 0.0022272 k( 70) = ( -0.3072159 0.2683351 0.7123209), wk = 0.0022272 k( 71) = ( -0.2969754 0.2593906 0.7123209), wk = 0.0022272 k( 72) = ( -0.2867348 0.2504461 0.7123209), wk = 0.0022272 k( 73) = ( -0.2764943 0.2415016 0.7123209), wk = 0.0022272 k( 74) = ( -0.2662538 0.2325571 0.7123209), wk = 0.0022272 k( 75) = ( -0.2560133 0.2236126 0.7123209), wk = 0.0022272 k( 76) = ( -0.2457727 0.2146681 0.7123209), wk = 0.0022272 k( 77) = ( -0.2355322 0.2057236 0.7123209), wk = 0.0022272 k( 78) = ( -0.2252917 0.1967791 0.7123209), wk = 0.0022272 k( 79) = ( -0.2150511 0.1878346 0.7123209), wk = 0.0022272 k( 80) = ( -0.2048106 0.1788901 0.7123209), wk = 0.0022272 k( 81) = ( -0.1945701 0.1699456 0.7123209), wk = 0.0022272 k( 82) = ( -0.1843296 0.1610011 0.7123209), wk = 0.0022272 k( 83) = ( -0.1740890 0.1520566 0.7123209), wk = 0.0022272 k( 84) = ( -0.1638485 0.1431121 0.7123209), wk = 0.0022272 k( 85) = ( -0.1536080 0.1341676 0.7123209), wk = 0.0022272 k( 86) = ( -0.1433674 0.1252231 0.7123209), wk = 0.0022272 k( 87) = ( -0.1331269 0.1162786 0.7123209), wk = 0.0022272 k( 88) = ( -0.1228864 0.1073340 0.7123209), wk = 0.0022272 k( 89) = ( -0.1126458 0.0983895 0.7123209), wk = 0.0022272 k( 90) = ( -0.1024053 0.0894450 0.7123209), wk = 0.0022272 k( 91) = ( -0.0921648 0.0805005 0.7123209), wk = 0.0022272 k( 92) = ( -0.0819242 0.0715560 0.7123209), wk = 0.0022272 k( 93) = ( -0.0716837 0.0626115 0.7123209), wk = 0.0022272 k( 94) = ( -0.0614432 0.0536670 0.7123209), wk = 0.0022272 k( 95) = ( -0.0512027 0.0447225 0.7123209), wk = 0.0022272 k( 96) = ( -0.0409621 0.0357780 0.7123209), wk = 0.0022272 k( 97) = ( -0.0307216 0.0268335 0.7123209), wk = 0.0022272 k( 98) = ( -0.0204811 0.0178890 0.7123209), wk = 0.0022272 k( 99) = ( -0.0102405 0.0089445 0.7123209), wk = 0.0022272 k( 100) = ( 0.0000000 0.0000000 0.7123209), wk = 0.0022272 k( 101) = ( 0.0000000 0.0000000 0.7123209), wk = 0.0022272 k( 102) = ( 0.0089286 0.0102223 0.7123209), wk = 0.0022272 k( 103) = ( 0.0178571 0.0204446 0.7123209), wk = 0.0022272 k( 104) = ( 0.0267857 0.0306669 0.7123209), wk = 0.0022272 k( 105) = ( 0.0357143 0.0408892 0.7123209), wk = 0.0022272 k( 106) = ( 0.0446429 0.0511115 0.7123209), wk = 0.0022272 k( 107) = ( 0.0535714 0.0613337 0.7123209), wk = 0.0022272 k( 108) = ( 0.0625000 0.0715560 0.7123209), wk = 0.0022272 k( 109) = ( 0.0714286 0.0817783 0.7123209), wk = 0.0022272 k( 110) = ( 0.0803571 0.0920006 0.7123209), wk = 0.0022272 k( 111) = ( 0.0892857 0.1022229 0.7123209), wk = 0.0022272 k( 112) = ( 0.0982143 0.1124452 0.7123209), wk = 0.0022272 k( 113) = ( 0.1071429 0.1226675 0.7123209), wk = 0.0022272 k( 114) = ( 0.1160714 0.1328898 0.7123209), wk = 0.0022272 k( 115) = ( 0.1250000 0.1431121 0.7123209), wk = 0.0022272 k( 116) = ( 0.1339286 0.1533343 0.7123209), wk = 0.0022272 k( 117) = ( 0.1428571 0.1635566 0.7123209), wk = 0.0022272 k( 118) = ( 0.1517857 0.1737789 0.7123209), wk = 0.0022272 k( 119) = ( 0.1607143 0.1840012 0.7123209), wk = 0.0022272 k( 120) = ( 0.1696429 0.1942235 0.7123209), wk = 0.0022272 k( 121) = ( 0.1785714 0.2044458 0.7123209), wk = 0.0022272 k( 122) = ( 0.1875000 0.2146681 0.7123209), wk = 0.0022272 k( 123) = ( 0.1964286 0.2248904 0.7123209), wk = 0.0022272 k( 124) = ( 0.2053571 0.2351127 0.7123209), wk = 0.0022272 k( 125) = ( 0.2142857 0.2453350 0.7123209), wk = 0.0022272 k( 126) = ( 0.2232143 0.2555572 0.7123209), wk = 0.0022272 k( 127) = ( 0.2321429 0.2657795 0.7123209), wk = 0.0022272 k( 128) = ( 0.2410714 0.2760018 0.7123209), wk = 0.0022272 k( 129) = ( 0.2500000 0.2862241 0.7123209), wk = 0.0022272 k( 130) = ( 0.2500000 0.2862241 0.7123209), wk = 0.0022272 k( 131) = ( 0.2416667 0.2935028 0.7047525), wk = 0.0022272 k( 132) = ( 0.2333333 0.3007815 0.6971841), wk = 0.0022272 k( 133) = ( 0.2250000 0.3080601 0.6896157), wk = 0.0022272 k( 134) = ( 0.2166667 0.3153388 0.6820473), wk = 0.0022272 k( 135) = ( 0.2083333 0.3226175 0.6744789), wk = 0.0022272 k( 136) = ( 0.2000000 0.3298962 0.6669105), wk = 0.0022272 k( 137) = ( 0.1916667 0.3371749 0.6593421), wk = 0.0022272 k( 138) = ( 0.1833333 0.3444535 0.6517737), wk = 0.0022272 k( 139) = ( 0.1750000 0.3517322 0.6442053), wk = 0.0022272 k( 140) = ( 0.1666667 0.3590109 0.6366369), wk = 0.0022272 k( 141) = ( 0.1583333 0.3662896 0.6290685), wk = 0.0022272 k( 142) = ( 0.1500000 0.3735683 0.6215002), wk = 0.0022272 k( 143) = ( 0.1416667 0.3808469 0.6139318), wk = 0.0022272 k( 144) = ( 0.1333333 0.3881256 0.6063634), wk = 0.0022272 k( 145) = ( 0.1250000 0.3954043 0.5987950), wk = 0.0022272 k( 146) = ( 0.1166667 0.4026830 0.5912266), wk = 0.0022272 k( 147) = ( 0.1083333 0.4099617 0.5836582), wk = 0.0022272 k( 148) = ( 0.1000000 0.4172403 0.5760898), wk = 0.0022272 k( 149) = ( 0.0916667 0.4245190 0.5685214), wk = 0.0022272 k( 150) = ( 0.0833333 0.4317977 0.5609530), wk = 0.0022272 k( 151) = ( 0.0750000 0.4390764 0.5533846), wk = 0.0022272 k( 152) = ( 0.0666667 0.4463550 0.5458162), wk = 0.0022272 k( 153) = ( 0.0583333 0.4536337 0.5382478), wk = 0.0022272 k( 154) = ( 0.0500000 0.4609124 0.5306794), wk = 0.0022272 k( 155) = ( 0.0416667 0.4681911 0.5231110), wk = 0.0022272 k( 156) = ( 0.0333333 0.4754698 0.5155426), wk = 0.0022272 k( 157) = ( 0.0250000 0.4827484 0.5079742), wk = 0.0022272 k( 158) = ( 0.0166667 0.4900271 0.5004058), wk = 0.0022272 k( 159) = ( 0.0083333 0.4973058 0.4928374), wk = 0.0022272 k( 160) = ( 0.0000000 0.5045845 0.4852690), wk = 0.0022272 k( 161) = ( 0.0000000 0.5045845 0.4852690), wk = 0.0022272 k( 162) = ( 0.0107410 0.5104933 0.4791250), wk = 0.0022272 k( 163) = ( 0.0214820 0.5164021 0.4729811), wk = 0.0022272 k( 164) = ( 0.0322230 0.5223109 0.4668371), wk = 0.0022272 k( 165) = ( 0.0429640 0.5282197 0.4606931), wk = 0.0022272 k( 166) = ( 0.0537050 0.5341285 0.4545491), wk = 0.0022272 k( 167) = ( 0.0644460 0.5400373 0.4484051), wk = 0.0022272 k( 168) = ( 0.0751871 0.5459461 0.4422611), wk = 0.0022272 k( 169) = ( 0.0859281 0.5518549 0.4361171), wk = 0.0022272 k( 170) = ( 0.0966691 0.5577637 0.4299731), wk = 0.0022272 k( 171) = ( 0.1074101 0.5636725 0.4238291), wk = 0.0022272 k( 172) = ( 0.1181511 0.5695812 0.4176851), wk = 0.0022272 k( 173) = ( 0.1288921 0.5754900 0.4115411), wk = 0.0022272 k( 174) = ( 0.1396331 0.5813989 0.4053972), wk = 0.0022272 k( 175) = ( 0.1503741 0.5873076 0.3992532), wk = 0.0022272 k( 176) = ( 0.1611151 0.5932164 0.3931092), wk = 0.0022272 k( 177) = ( 0.1718561 0.5991252 0.3869652), wk = 0.0022272 k( 178) = ( 0.1825971 0.6050340 0.3808212), wk = 0.0022272 k( 179) = ( 0.1933381 0.6109428 0.3746772), wk = 0.0022272 k( 180) = ( 0.2040791 0.6168516 0.3685332), wk = 0.0022272 k( 181) = ( 0.2148201 0.6227604 0.3623892), wk = 0.0022272 k( 182) = ( 0.2255611 0.6286692 0.3562452), wk = 0.0022272 k( 183) = ( 0.2363021 0.6345780 0.3501012), wk = 0.0022272 k( 184) = ( 0.2470432 0.6404868 0.3439573), wk = 0.0022272 k( 185) = ( 0.2577842 0.6463956 0.3378133), wk = 0.0022272 k( 186) = ( 0.2685252 0.6523044 0.3316693), wk = 0.0022272 k( 187) = ( 0.2792662 0.6582132 0.3255253), wk = 0.0022272 k( 188) = ( 0.2900072 0.6641220 0.3193813), wk = 0.0022272 k( 189) = ( 0.3007482 0.6700308 0.3132373), wk = 0.0022272 k( 190) = ( 0.3114892 0.6759396 0.3070933), wk = 0.0022272 k( 191) = ( 0.3222302 0.6818484 0.3009493), wk = 0.0022272 k( 192) = ( 0.3329712 0.6877572 0.2948053), wk = 0.0022272 k( 193) = ( 0.3437122 0.6936660 0.2886614), wk = 0.0022272 k( 194) = ( 0.3544532 0.6995748 0.2825174), wk = 0.0022272 k( 195) = ( 0.3544532 0.6995748 0.2825174), wk = 0.0022272 k( 196) = ( 0.3602751 0.6944898 0.2712167), wk = 0.0022272 k( 197) = ( 0.3660970 0.6894047 0.2599160), wk = 0.0022272 k( 198) = ( 0.3719188 0.6843196 0.2486153), wk = 0.0022272 k( 199) = ( 0.3777407 0.6792346 0.2373146), wk = 0.0022272 k( 200) = ( 0.3835626 0.6741495 0.2260139), wk = 0.0022272 k( 201) = ( 0.3893844 0.6690644 0.2147132), wk = 0.0022272 k( 202) = ( 0.3952063 0.6639794 0.2034125), wk = 0.0022272 k( 203) = ( 0.4010282 0.6588943 0.1921118), wk = 0.0022272 k( 204) = ( 0.4068501 0.6538092 0.1808111), wk = 0.0022272 k( 205) = ( 0.4126719 0.6487242 0.1695104), wk = 0.0022272 k( 206) = ( 0.4184938 0.6436391 0.1582097), wk = 0.0022272 k( 207) = ( 0.4243157 0.6385540 0.1469090), wk = 0.0022272 k( 208) = ( 0.4301375 0.6334690 0.1356083), wk = 0.0022272 k( 209) = ( 0.4359594 0.6283839 0.1243076), wk = 0.0022272 k( 210) = ( 0.4417813 0.6232989 0.1130069), wk = 0.0022272 k( 211) = ( 0.4476032 0.6182138 0.1017063), wk = 0.0022272 k( 212) = ( 0.4534250 0.6131287 0.0904056), wk = 0.0022272 k( 213) = ( 0.4592469 0.6080437 0.0791049), wk = 0.0022272 k( 214) = ( 0.4650688 0.6029586 0.0678042), wk = 0.0022272 k( 215) = ( 0.4708906 0.5978735 0.0565035), wk = 0.0022272 k( 216) = ( 0.4767125 0.5927885 0.0452028), wk = 0.0022272 k( 217) = ( 0.4825344 0.5877034 0.0339021), wk = 0.0022272 k( 218) = ( 0.4883563 0.5826184 0.0226014), wk = 0.0022272 k( 219) = ( 0.4941781 0.5775333 0.0113007), wk = 0.0022272 k( 220) = ( 0.5000000 0.5724482 -0.0000000), wk = 0.0022272 k( 221) = ( 0.5000000 0.5724482 -0.0000000), wk = 0.0022272 k( 222) = ( 0.4910714 0.5622259 -0.0000000), wk = 0.0022272 k( 223) = ( 0.4821429 0.5520037 -0.0000000), wk = 0.0022272 k( 224) = ( 0.4732143 0.5417814 -0.0000000), wk = 0.0022272 k( 225) = ( 0.4642857 0.5315591 -0.0000000), wk = 0.0022272 k( 226) = ( 0.4553571 0.5213368 -0.0000000), wk = 0.0022272 k( 227) = ( 0.4464286 0.5111145 -0.0000000), wk = 0.0022272 k( 228) = ( 0.4375000 0.5008922 -0.0000000), wk = 0.0022272 k( 229) = ( 0.4285714 0.4906699 -0.0000000), wk = 0.0022272 k( 230) = ( 0.4196429 0.4804476 -0.0000000), wk = 0.0022272 k( 231) = ( 0.4107143 0.4702253 -0.0000000), wk = 0.0022272 k( 232) = ( 0.4017857 0.4600030 -0.0000000), wk = 0.0022272 k( 233) = ( 0.3928571 0.4497807 -0.0000000), wk = 0.0022272 k( 234) = ( 0.3839286 0.4395585 0.0000000), wk = 0.0022272 k( 235) = ( 0.3750000 0.4293362 -0.0000000), wk = 0.0022272 k( 236) = ( 0.3660714 0.4191139 -0.0000000), wk = 0.0022272 k( 237) = ( 0.3571429 0.4088916 -0.0000000), wk = 0.0022272 k( 238) = ( 0.3482143 0.3986693 -0.0000000), wk = 0.0022272 k( 239) = ( 0.3392857 0.3884470 -0.0000000), wk = 0.0022272 k( 240) = ( 0.3303571 0.3782247 -0.0000000), wk = 0.0022272 k( 241) = ( 0.3214286 0.3680024 -0.0000000), wk = 0.0022272 k( 242) = ( 0.3125000 0.3577801 -0.0000000), wk = 0.0022272 k( 243) = ( 0.3035714 0.3475579 -0.0000000), wk = 0.0022272 k( 244) = ( 0.2946429 0.3373356 -0.0000000), wk = 0.0022272 k( 245) = ( 0.2857143 0.3271133 -0.0000000), wk = 0.0022272 k( 246) = ( 0.2767857 0.3168910 -0.0000000), wk = 0.0022272 k( 247) = ( 0.2678571 0.3066687 -0.0000000), wk = 0.0022272 k( 248) = ( 0.2589286 0.2964464 -0.0000000), wk = 0.0022272 k( 249) = ( 0.2500000 0.2862241 -0.0000000), wk = 0.0022272 k( 250) = ( 0.2410714 0.2760018 -0.0000000), wk = 0.0022272 k( 251) = ( 0.2321429 0.2657795 -0.0000000), wk = 0.0022272 k( 252) = ( 0.2232143 0.2555572 -0.0000000), wk = 0.0022272 k( 253) = ( 0.2142857 0.2453350 -0.0000000), wk = 0.0022272 k( 254) = ( 0.2053571 0.2351127 -0.0000000), wk = 0.0022272 k( 255) = ( 0.1964286 0.2248904 -0.0000000), wk = 0.0022272 k( 256) = ( 0.1875000 0.2146681 -0.0000000), wk = 0.0022272 k( 257) = ( 0.1785714 0.2044458 -0.0000000), wk = 0.0022272 k( 258) = ( 0.1696429 0.1942235 -0.0000000), wk = 0.0022272 k( 259) = ( 0.1607143 0.1840012 -0.0000000), wk = 0.0022272 k( 260) = ( 0.1517857 0.1737789 -0.0000000), wk = 0.0022272 k( 261) = ( 0.1428571 0.1635566 -0.0000000), wk = 0.0022272 k( 262) = ( 0.1339286 0.1533343 -0.0000000), wk = 0.0022272 k( 263) = ( 0.1250000 0.1431121 -0.0000000), wk = 0.0022272 k( 264) = ( 0.1160714 0.1328898 -0.0000000), wk = 0.0022272 k( 265) = ( 0.1071429 0.1226675 -0.0000000), wk = 0.0022272 k( 266) = ( 0.0982143 0.1124452 -0.0000000), wk = 0.0022272 k( 267) = ( 0.0892857 0.1022229 0.0000000), wk = 0.0022272 k( 268) = ( 0.0803571 0.0920006 -0.0000000), wk = 0.0022272 k( 269) = ( 0.0714286 0.0817783 -0.0000000), wk = 0.0022272 k( 270) = ( 0.0625000 0.0715560 -0.0000000), wk = 0.0022272 k( 271) = ( 0.0535714 0.0613337 -0.0000000), wk = 0.0022272 k( 272) = ( 0.0446429 0.0511115 -0.0000000), wk = 0.0022272 k( 273) = ( 0.0357143 0.0408892 -0.0000000), wk = 0.0022272 k( 274) = ( 0.0267857 0.0306669 -0.0000000), wk = 0.0022272 k( 275) = ( 0.0178571 0.0204446 -0.0000000), wk = 0.0022272 k( 276) = ( 0.0089286 0.0102223 -0.0000000), wk = 0.0022272 k( 277) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022272 k( 278) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022272 k( 279) = ( 0.0084508 -0.0073813 0.0076751), wk = 0.0022272 k( 280) = ( 0.0169016 -0.0147625 0.0153501), wk = 0.0022272 k( 281) = ( 0.0253523 -0.0221438 0.0230252), wk = 0.0022272 k( 282) = ( 0.0338031 -0.0295251 0.0307003), wk = 0.0022272 k( 283) = ( 0.0422539 -0.0369063 0.0383753), wk = 0.0022272 k( 284) = ( 0.0507047 -0.0442876 0.0460504), wk = 0.0022272 k( 285) = ( 0.0591555 -0.0516688 0.0537254), wk = 0.0022272 k( 286) = ( 0.0676063 -0.0590501 0.0614005), wk = 0.0022272 k( 287) = ( 0.0760570 -0.0664314 0.0690756), wk = 0.0022272 k( 288) = ( 0.0845078 -0.0738126 0.0767506), wk = 0.0022272 k( 289) = ( 0.0929586 -0.0811939 0.0844257), wk = 0.0022272 k( 290) = ( 0.1014094 -0.0885752 0.0921008), wk = 0.0022272 k( 291) = ( 0.1098602 -0.0959564 0.0997758), wk = 0.0022272 k( 292) = ( 0.1183109 -0.1033377 0.1074509), wk = 0.0022272 k( 293) = ( 0.1267617 -0.1107189 0.1151259), wk = 0.0022272 k( 294) = ( 0.1352125 -0.1181002 0.1228010), wk = 0.0022272 k( 295) = ( 0.1436633 -0.1254815 0.1304761), wk = 0.0022272 k( 296) = ( 0.1521141 -0.1328627 0.1381511), wk = 0.0022272 k( 297) = ( 0.1605648 -0.1402440 0.1458262), wk = 0.0022272 k( 298) = ( 0.1690156 -0.1476253 0.1535013), wk = 0.0022272 k( 299) = ( 0.1774664 -0.1550065 0.1611763), wk = 0.0022272 k( 300) = ( 0.1859172 -0.1623878 0.1688514), wk = 0.0022272 k( 301) = ( 0.1943680 -0.1697690 0.1765265), wk = 0.0022272 k( 302) = ( 0.2028187 -0.1771503 0.1842015), wk = 0.0022272 k( 303) = ( 0.2112695 -0.1845316 0.1918766), wk = 0.0022272 k( 304) = ( 0.2197203 -0.1919128 0.1995516), wk = 0.0022272 k( 305) = ( 0.2281711 -0.1992941 0.2072267), wk = 0.0022272 k( 306) = ( 0.2366219 -0.2066754 0.2149018), wk = 0.0022272 k( 307) = ( 0.2450727 -0.2140566 0.2225768), wk = 0.0022272 k( 308) = ( 0.2535234 -0.2214379 0.2302519), wk = 0.0022272 k( 309) = ( 0.2619742 -0.2288191 0.2379270), wk = 0.0022272 k( 310) = ( 0.2704250 -0.2362004 0.2456020), wk = 0.0022272 k( 311) = ( 0.2788758 -0.2435817 0.2532771), wk = 0.0022272 k( 312) = ( 0.2873266 -0.2509629 0.2609521), wk = 0.0022272 k( 313) = ( 0.2957773 -0.2583442 0.2686272), wk = 0.0022272 k( 314) = ( 0.3042281 -0.2657255 0.2763023), wk = 0.0022272 k( 315) = ( 0.3126789 -0.2731067 0.2839773), wk = 0.0022272 k( 316) = ( 0.3211297 -0.2804880 0.2916524), wk = 0.0022272 k( 317) = ( 0.3295805 -0.2878692 0.2993275), wk = 0.0022272 k( 318) = ( 0.3380313 -0.2952505 0.3070025), wk = 0.0022272 k( 319) = ( 0.3464820 -0.3026318 0.3146776), wk = 0.0022272 k( 320) = ( 0.3549328 -0.3100130 0.3223527), wk = 0.0022272 k( 321) = ( 0.3633836 -0.3173943 0.3300277), wk = 0.0022272 k( 322) = ( 0.3718344 -0.3247756 0.3377028), wk = 0.0022272 k( 323) = ( 0.3802852 -0.3321568 0.3453778), wk = 0.0022272 k( 324) = ( 0.3887359 -0.3395381 0.3530529), wk = 0.0022272 k( 325) = ( 0.3971867 -0.3469193 0.3607280), wk = 0.0022272 k( 326) = ( 0.4056375 -0.3543006 0.3684030), wk = 0.0022272 k( 327) = ( 0.4140883 -0.3616819 0.3760781), wk = 0.0022272 k( 328) = ( 0.4225391 -0.3690631 0.3837532), wk = 0.0022272 k( 329) = ( 0.4309898 -0.3764444 0.3914282), wk = 0.0022272 k( 330) = ( 0.4394406 -0.3838257 0.3991033), wk = 0.0022272 k( 331) = ( 0.4478914 -0.3912069 0.4067784), wk = 0.0022272 k( 332) = ( 0.4563422 -0.3985882 0.4144534), wk = 0.0022272 k( 333) = ( 0.4647930 -0.4059694 0.4221285), wk = 0.0022272 k( 334) = ( 0.4732438 -0.4133507 0.4298035), wk = 0.0022272 k( 335) = ( 0.4732438 -0.4133507 0.4298035), wk = 0.0022272 k( 336) = ( 0.4739298 -0.4010119 0.4246048), wk = 0.0022272 k( 337) = ( 0.4746159 -0.3886730 0.4194060), wk = 0.0022272 k( 338) = ( 0.4753019 -0.3763342 0.4142073), wk = 0.0022272 k( 339) = ( 0.4759880 -0.3639954 0.4090085), wk = 0.0022272 k( 340) = ( 0.4766740 -0.3516565 0.4038097), wk = 0.0022272 k( 341) = ( 0.4773601 -0.3393177 0.3986110), wk = 0.0022272 k( 342) = ( 0.4780462 -0.3269789 0.3934122), wk = 0.0022272 k( 343) = ( 0.4787322 -0.3146400 0.3882135), wk = 0.0022272 k( 344) = ( 0.4794183 -0.3023012 0.3830147), wk = 0.0022272 k( 345) = ( 0.4801043 -0.2899624 0.3778159), wk = 0.0022272 k( 346) = ( 0.4807904 -0.2776235 0.3726172), wk = 0.0022272 k( 347) = ( 0.4814764 -0.2652847 0.3674184), wk = 0.0022272 k( 348) = ( 0.4821625 -0.2529459 0.3622197), wk = 0.0022272 k( 349) = ( 0.4828486 -0.2406070 0.3570209), wk = 0.0022272 k( 350) = ( 0.4835346 -0.2282682 0.3518221), wk = 0.0022272 k( 351) = ( 0.4842207 -0.2159294 0.3466234), wk = 0.0022272 k( 352) = ( 0.4849067 -0.2035905 0.3414246), wk = 0.0022272 k( 353) = ( 0.4855928 -0.1912517 0.3362259), wk = 0.0022272 k( 354) = ( 0.4862788 -0.1789129 0.3310271), wk = 0.0022272 k( 355) = ( 0.4869649 -0.1665741 0.3258283), wk = 0.0022272 k( 356) = ( 0.4876510 -0.1542352 0.3206296), wk = 0.0022272 k( 357) = ( 0.4883370 -0.1418964 0.3154308), wk = 0.0022272 k( 358) = ( 0.4890231 -0.1295576 0.3102321), wk = 0.0022272 k( 359) = ( 0.4897091 -0.1172187 0.3050333), wk = 0.0022272 k( 360) = ( 0.4903952 -0.1048799 0.2998345), wk = 0.0022272 k( 361) = ( 0.4910813 -0.0925411 0.2946358), wk = 0.0022272 k( 362) = ( 0.4917673 -0.0802022 0.2894370), wk = 0.0022272 k( 363) = ( 0.4924534 -0.0678634 0.2842383), wk = 0.0022272 k( 364) = ( 0.4931394 -0.0555246 0.2790395), wk = 0.0022272 k( 365) = ( 0.4938255 -0.0431857 0.2738407), wk = 0.0022272 k( 366) = ( 0.4945115 -0.0308469 0.2686420), wk = 0.0022272 k( 367) = ( 0.4951976 -0.0185081 0.2634432), wk = 0.0022272 k( 368) = ( 0.4958837 -0.0061692 0.2582444), wk = 0.0022272 k( 369) = ( 0.4965697 0.0061696 0.2530457), wk = 0.0022272 k( 370) = ( 0.4972558 0.0185084 0.2478469), wk = 0.0022272 k( 371) = ( 0.4979418 0.0308473 0.2426482), wk = 0.0022272 k( 372) = ( 0.4986279 0.0431861 0.2374494), wk = 0.0022272 k( 373) = ( 0.4993139 0.0555249 0.2322506), wk = 0.0022272 k( 374) = ( 0.5000000 0.0678638 0.2270519), wk = 0.0022272 k( 375) = ( 0.5000000 0.0678638 0.2270519), wk = 0.0022272 k( 376) = ( 0.4941860 0.0729419 0.2383372), wk = 0.0022272 k( 377) = ( 0.4883721 0.0780201 0.2496225), wk = 0.0022272 k( 378) = ( 0.4825581 0.0830982 0.2609079), wk = 0.0022272 k( 379) = ( 0.4767442 0.0881763 0.2721932), wk = 0.0022272 k( 380) = ( 0.4709302 0.0932545 0.2834785), wk = 0.0022272 k( 381) = ( 0.4651163 0.0983326 0.2947638), wk = 0.0022272 k( 382) = ( 0.4593023 0.1034108 0.3060492), wk = 0.0022272 k( 383) = ( 0.4534884 0.1084889 0.3173345), wk = 0.0022272 k( 384) = ( 0.4476744 0.1135671 0.3286198), wk = 0.0022272 k( 385) = ( 0.4418605 0.1186452 0.3399051), wk = 0.0022272 k( 386) = ( 0.4360465 0.1237234 0.3511905), wk = 0.0022272 k( 387) = ( 0.4302326 0.1288015 0.3624758), wk = 0.0022272 k( 388) = ( 0.4244186 0.1338797 0.3737611), wk = 0.0022272 k( 389) = ( 0.4186047 0.1389578 0.3850465), wk = 0.0022272 k( 390) = ( 0.4127907 0.1440360 0.3963318), wk = 0.0022272 k( 391) = ( 0.4069767 0.1491141 0.4076171), wk = 0.0022272 k( 392) = ( 0.4011628 0.1541923 0.4189024), wk = 0.0022272 k( 393) = ( 0.3953488 0.1592704 0.4301877), wk = 0.0022272 k( 394) = ( 0.3895349 0.1643486 0.4414731), wk = 0.0022272 k( 395) = ( 0.3837209 0.1694267 0.4527584), wk = 0.0022272 k( 396) = ( 0.3779070 0.1745049 0.4640437), wk = 0.0022272 k( 397) = ( 0.3720930 0.1795830 0.4753291), wk = 0.0022272 k( 398) = ( 0.3662791 0.1846612 0.4866144), wk = 0.0022272 k( 399) = ( 0.3604651 0.1897393 0.4978997), wk = 0.0022272 k( 400) = ( 0.3546512 0.1948175 0.5091850), wk = 0.0022272 k( 401) = ( 0.3488372 0.1998956 0.5204704), wk = 0.0022272 k( 402) = ( 0.3430233 0.2049737 0.5317557), wk = 0.0022272 k( 403) = ( 0.3372093 0.2100519 0.5430410), wk = 0.0022272 k( 404) = ( 0.3313953 0.2151300 0.5543263), wk = 0.0022272 k( 405) = ( 0.3255814 0.2202082 0.5656117), wk = 0.0022272 k( 406) = ( 0.3197674 0.2252863 0.5768970), wk = 0.0022272 k( 407) = ( 0.3139535 0.2303645 0.5881823), wk = 0.0022272 k( 408) = ( 0.3081395 0.2354426 0.5994677), wk = 0.0022272 k( 409) = ( 0.3023256 0.2405208 0.6107530), wk = 0.0022272 k( 410) = ( 0.2965116 0.2455989 0.6220383), wk = 0.0022272 k( 411) = ( 0.2906977 0.2506771 0.6333236), wk = 0.0022272 k( 412) = ( 0.2848837 0.2557552 0.6446090), wk = 0.0022272 k( 413) = ( 0.2790698 0.2608334 0.6558943), wk = 0.0022272 k( 414) = ( 0.2732558 0.2659115 0.6671796), wk = 0.0022272 k( 415) = ( 0.2674419 0.2709897 0.6784649), wk = 0.0022272 k( 416) = ( 0.2616279 0.2760678 0.6897502), wk = 0.0022272 k( 417) = ( 0.2558140 0.2811460 0.7010356), wk = 0.0022272 k( 418) = ( 0.2500000 0.2862241 0.7123209), wk = 0.0022272 k( 419) = ( 0.3276970 -0.2862241 0.7123209), wk = 0.0022272 k( 420) = ( 0.3335188 -0.2913092 0.7010202), wk = 0.0022272 k( 421) = ( 0.3393407 -0.2963942 0.6897195), wk = 0.0022272 k( 422) = ( 0.3451626 -0.3014793 0.6784188), wk = 0.0022272 k( 423) = ( 0.3509845 -0.3065644 0.6671181), wk = 0.0022272 k( 424) = ( 0.3568063 -0.3116494 0.6558174), wk = 0.0022272 k( 425) = ( 0.3626282 -0.3167345 0.6445167), wk = 0.0022272 k( 426) = ( 0.3684501 -0.3218196 0.6332160), wk = 0.0022272 k( 427) = ( 0.3742719 -0.3269046 0.6219154), wk = 0.0022272 k( 428) = ( 0.3800938 -0.3319897 0.6106147), wk = 0.0022272 k( 429) = ( 0.3859157 -0.3370747 0.5993140), wk = 0.0022272 k( 430) = ( 0.3917376 -0.3421598 0.5880133), wk = 0.0022272 k( 431) = ( 0.3975594 -0.3472449 0.5767126), wk = 0.0022272 k( 432) = ( 0.4033813 -0.3523299 0.5654119), wk = 0.0022272 k( 433) = ( 0.4092032 -0.3574150 0.5541112), wk = 0.0022272 k( 434) = ( 0.4150250 -0.3625001 0.5428105), wk = 0.0022272 k( 435) = ( 0.4208469 -0.3675851 0.5315098), wk = 0.0022272 k( 436) = ( 0.4266688 -0.3726702 0.5202091), wk = 0.0022272 k( 437) = ( 0.4324906 -0.3777553 0.5089084), wk = 0.0022272 k( 438) = ( 0.4383125 -0.3828403 0.4976077), wk = 0.0022272 k( 439) = ( 0.4441344 -0.3879254 0.4863070), wk = 0.0022272 k( 440) = ( 0.4499563 -0.3930104 0.4750063), wk = 0.0022272 k( 441) = ( 0.4557781 -0.3980955 0.4637056), wk = 0.0022272 k( 442) = ( 0.4616000 -0.4031806 0.4524049), wk = 0.0022272 k( 443) = ( 0.4674219 -0.4082656 0.4411042), wk = 0.0022272 k( 444) = ( 0.4732438 -0.4133507 0.4298035), wk = 0.0022272 k( 445) = ( 0.5267563 0.5490782 0.0243002), wk = 0.0022272 k( 446) = ( 0.5200672 0.5549207 0.0182252), wk = 0.0022272 k( 447) = ( 0.5133781 0.5607632 0.0121501), wk = 0.0022272 k( 448) = ( 0.5066891 0.5666057 0.0060751), wk = 0.0022272 k( 449) = ( 0.5000000 0.5724482 -0.0000000), wk = 0.0022272 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022272 k( 2) = ( -0.0058107 0.0058107 0.0058107), wk = 0.0022272 k( 3) = ( -0.0116214 0.0116214 0.0116214), wk = 0.0022272 k( 4) = ( -0.0174321 0.0174321 0.0174321), wk = 0.0022272 k( 5) = ( -0.0232428 0.0232428 0.0232428), wk = 0.0022272 k( 6) = ( -0.0290535 0.0290535 0.0290535), wk = 0.0022272 k( 7) = ( -0.0348642 0.0348642 0.0348642), wk = 0.0022272 k( 8) = ( -0.0406750 0.0406750 0.0406750), wk = 0.0022272 k( 9) = ( -0.0464857 0.0464857 0.0464857), wk = 0.0022272 k( 10) = ( -0.0522964 0.0522964 0.0522964), wk = 0.0022272 k( 11) = ( -0.0581071 0.0581071 0.0581071), wk = 0.0022272 k( 12) = ( -0.0639178 0.0639178 0.0639178), wk = 0.0022272 k( 13) = ( -0.0697285 0.0697285 0.0697285), wk = 0.0022272 k( 14) = ( -0.0755392 0.0755392 0.0755392), wk = 0.0022272 k( 15) = ( -0.0813499 0.0813499 0.0813499), wk = 0.0022272 k( 16) = ( -0.0871606 0.0871606 0.0871606), wk = 0.0022272 k( 17) = ( -0.0929713 0.0929713 0.0929713), wk = 0.0022272 k( 18) = ( -0.0987820 0.0987820 0.0987820), wk = 0.0022272 k( 19) = ( -0.1045927 0.1045928 0.1045927), wk = 0.0022272 k( 20) = ( -0.1104035 0.1104035 0.1104035), wk = 0.0022272 k( 21) = ( -0.1162142 0.1162142 0.1162142), wk = 0.0022272 k( 22) = ( -0.1220249 0.1220249 0.1220249), wk = 0.0022272 k( 23) = ( -0.1278356 0.1278356 0.1278356), wk = 0.0022272 k( 24) = ( -0.1336463 0.1336463 0.1336463), wk = 0.0022272 k( 25) = ( -0.1394570 0.1394570 0.1394570), wk = 0.0022272 k( 26) = ( -0.1452677 0.1452677 0.1452677), wk = 0.0022272 k( 27) = ( -0.1510784 0.1510784 0.1510784), wk = 0.0022272 k( 28) = ( -0.1568891 0.1568891 0.1568891), wk = 0.0022272 k( 29) = ( -0.1626998 0.1626998 0.1626998), wk = 0.0022272 k( 30) = ( -0.1685106 0.1685106 0.1685106), wk = 0.0022272 k( 31) = ( -0.1743213 0.1743213 0.1743213), wk = 0.0022272 k( 32) = ( -0.1801320 0.1801320 0.1801320), wk = 0.0022272 k( 33) = ( -0.1859427 0.1859427 0.1859427), wk = 0.0022272 k( 34) = ( -0.1917534 0.1917534 0.1917534), wk = 0.0022272 k( 35) = ( -0.1975641 0.1975641 0.1975641), wk = 0.0022272 k( 36) = ( -0.2033748 0.2033748 0.2033748), wk = 0.0022272 k( 37) = ( -0.2091855 0.2091855 0.2091855), wk = 0.0022272 k( 38) = ( -0.2149962 0.2149962 0.2149962), wk = 0.0022272 k( 39) = ( -0.2208069 0.2208069 0.2208069), wk = 0.0022272 k( 40) = ( -0.2266176 0.2266176 0.2266176), wk = 0.0022272 k( 41) = ( -0.2324283 0.2324283 0.2324283), wk = 0.0022272 k( 42) = ( -0.2382391 0.2382391 0.2382390), wk = 0.0022272 k( 43) = ( -0.2440498 0.2440498 0.2440498), wk = 0.0022272 k( 44) = ( -0.2498605 0.2498605 0.2498605), wk = 0.0022272 k( 45) = ( -0.2556712 0.2556712 0.2556712), wk = 0.0022272 k( 46) = ( -0.2614819 0.2614819 0.2614819), wk = 0.0022272 k( 47) = ( -0.2672926 0.2672926 0.2672926), wk = 0.0022272 k( 48) = ( -0.2731033 0.2731033 0.2731033), wk = 0.0022272 k( 49) = ( -0.2789140 0.2789140 0.2789140), wk = 0.0022272 k( 50) = ( -0.2847247 0.2847247 0.2847247), wk = 0.0022272 k( 51) = ( -0.2905354 0.2905354 0.2905354), wk = 0.0022272 k( 52) = ( -0.2963461 0.2963461 0.2963461), wk = 0.0022272 k( 53) = ( -0.3021568 0.3021568 0.3021568), wk = 0.0022272 k( 54) = ( -0.3079676 0.3079676 0.3079676), wk = 0.0022272 k( 55) = ( -0.3137783 0.3137783 0.3137783), wk = 0.0022272 k( 56) = ( -0.3195890 0.3195890 0.3195890), wk = 0.0022272 k( 57) = ( -0.3253997 0.3253997 0.3253997), wk = 0.0022272 k( 58) = ( -0.3312104 0.3312104 0.3312104), wk = 0.0022272 k( 59) = ( -0.3370211 0.3370211 0.3370211), wk = 0.0022272 k( 60) = ( -0.3428318 0.3428318 0.3428318), wk = 0.0022272 k( 61) = ( -0.3486425 0.3486425 0.3486425), wk = 0.0022272 k( 62) = ( -0.3544532 0.3544532 0.3544532), wk = 0.0022272 k( 63) = ( -0.3544532 0.3544532 0.3544532), wk = 0.0022272 k( 64) = ( -0.3477642 0.3477642 0.3611423), wk = 0.0022272 k( 65) = ( -0.3410751 0.3410751 0.3678314), wk = 0.0022272 k( 66) = ( -0.3343860 0.3343860 0.3745204), wk = 0.0022272 k( 67) = ( -0.3276970 0.3276970 0.3812095), wk = 0.0022272 k( 68) = ( -0.3276970 0.3276970 0.3812095), wk = 0.0022272 k( 69) = ( -0.3174564 0.3174564 0.3849217), wk = 0.0022272 k( 70) = ( -0.3072159 0.3072159 0.3886339), wk = 0.0022272 k( 71) = ( -0.2969754 0.2969754 0.3923461), wk = 0.0022272 k( 72) = ( -0.2867348 0.2867348 0.3960583), wk = 0.0022272 k( 73) = ( -0.2764943 0.2764943 0.3997705), wk = 0.0022272 k( 74) = ( -0.2662538 0.2662538 0.4034827), wk = 0.0022272 k( 75) = ( -0.2560133 0.2560133 0.4071949), wk = 0.0022272 k( 76) = ( -0.2457727 0.2457727 0.4109071), wk = 0.0022272 k( 77) = ( -0.2355322 0.2355322 0.4146193), wk = 0.0022272 k( 78) = ( -0.2252917 0.2252917 0.4183315), wk = 0.0022272 k( 79) = ( -0.2150511 0.2150511 0.4220437), wk = 0.0022272 k( 80) = ( -0.2048106 0.2048106 0.4257559), wk = 0.0022272 k( 81) = ( -0.1945701 0.1945701 0.4294681), wk = 0.0022272 k( 82) = ( -0.1843296 0.1843296 0.4331803), wk = 0.0022272 k( 83) = ( -0.1740890 0.1740890 0.4368925), wk = 0.0022272 k( 84) = ( -0.1638485 0.1638485 0.4406047), wk = 0.0022272 k( 85) = ( -0.1536080 0.1536080 0.4443169), wk = 0.0022272 k( 86) = ( -0.1433674 0.1433674 0.4480291), wk = 0.0022272 k( 87) = ( -0.1331269 0.1331269 0.4517413), wk = 0.0022272 k( 88) = ( -0.1228864 0.1228864 0.4554535), wk = 0.0022272 k( 89) = ( -0.1126458 0.1126458 0.4591658), wk = 0.0022272 k( 90) = ( -0.1024053 0.1024053 0.4628780), wk = 0.0022272 k( 91) = ( -0.0921648 0.0921648 0.4665902), wk = 0.0022272 k( 92) = ( -0.0819242 0.0819242 0.4703024), wk = 0.0022272 k( 93) = ( -0.0716837 0.0716837 0.4740146), wk = 0.0022272 k( 94) = ( -0.0614432 0.0614432 0.4777268), wk = 0.0022272 k( 95) = ( -0.0512027 0.0512027 0.4814390), wk = 0.0022272 k( 96) = ( -0.0409621 0.0409621 0.4851512), wk = 0.0022272 k( 97) = ( -0.0307216 0.0307216 0.4888634), wk = 0.0022272 k( 98) = ( -0.0204811 0.0204811 0.4925756), wk = 0.0022272 k( 99) = ( -0.0102405 0.0102405 0.4962878), wk = 0.0022272 k( 100) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022272 k( 101) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022272 k( 102) = ( 0.0089286 0.0089286 0.4910714), wk = 0.0022272 k( 103) = ( 0.0178571 0.0178571 0.4821429), wk = 0.0022272 k( 104) = ( 0.0267857 0.0267857 0.4732143), wk = 0.0022272 k( 105) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0022272 k( 106) = ( 0.0446429 0.0446429 0.4553571), wk = 0.0022272 k( 107) = ( 0.0535714 0.0535714 0.4464286), wk = 0.0022272 k( 108) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0022272 k( 109) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0022272 k( 110) = ( 0.0803571 0.0803571 0.4196429), wk = 0.0022272 k( 111) = ( 0.0892857 0.0892857 0.4107143), wk = 0.0022272 k( 112) = ( 0.0982143 0.0982143 0.4017857), wk = 0.0022272 k( 113) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0022272 k( 114) = ( 0.1160714 0.1160714 0.3839286), wk = 0.0022272 k( 115) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0022272 k( 116) = ( 0.1339286 0.1339286 0.3660714), wk = 0.0022272 k( 117) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0022272 k( 118) = ( 0.1517857 0.1517857 0.3482143), wk = 0.0022272 k( 119) = ( 0.1607143 0.1607143 0.3392857), wk = 0.0022272 k( 120) = ( 0.1696429 0.1696429 0.3303571), wk = 0.0022272 k( 121) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0022272 k( 122) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0022272 k( 123) = ( 0.1964286 0.1964286 0.3035714), wk = 0.0022272 k( 124) = ( 0.2053571 0.2053571 0.2946429), wk = 0.0022272 k( 125) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0022272 k( 126) = ( 0.2232143 0.2232143 0.2767857), wk = 0.0022272 k( 127) = ( 0.2321429 0.2321429 0.2678571), wk = 0.0022272 k( 128) = ( 0.2410714 0.2410714 0.2589286), wk = 0.0022272 k( 129) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022272 k( 130) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022272 k( 131) = ( 0.2416667 0.2583333 0.2416667), wk = 0.0022272 k( 132) = ( 0.2333333 0.2666667 0.2333333), wk = 0.0022272 k( 133) = ( 0.2250000 0.2750000 0.2250000), wk = 0.0022272 k( 134) = ( 0.2166667 0.2833333 0.2166667), wk = 0.0022272 k( 135) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0022272 k( 136) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0022272 k( 137) = ( 0.1916667 0.3083333 0.1916667), wk = 0.0022272 k( 138) = ( 0.1833333 0.3166667 0.1833333), wk = 0.0022272 k( 139) = ( 0.1750000 0.3250000 0.1750000), wk = 0.0022272 k( 140) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0022272 k( 141) = ( 0.1583333 0.3416667 0.1583333), wk = 0.0022272 k( 142) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0022272 k( 143) = ( 0.1416667 0.3583333 0.1416667), wk = 0.0022272 k( 144) = ( 0.1333333 0.3666667 0.1333333), wk = 0.0022272 k( 145) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0022272 k( 146) = ( 0.1166667 0.3833333 0.1166667), wk = 0.0022272 k( 147) = ( 0.1083333 0.3916667 0.1083333), wk = 0.0022272 k( 148) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0022272 k( 149) = ( 0.0916667 0.4083333 0.0916667), wk = 0.0022272 k( 150) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0022272 k( 151) = ( 0.0750000 0.4250000 0.0750000), wk = 0.0022272 k( 152) = ( 0.0666667 0.4333333 0.0666667), wk = 0.0022272 k( 153) = ( 0.0583333 0.4416667 0.0583333), wk = 0.0022272 k( 154) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0022272 k( 155) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0022272 k( 156) = ( 0.0333333 0.4666667 0.0333333), wk = 0.0022272 k( 157) = ( 0.0250000 0.4750000 0.0250000), wk = 0.0022272 k( 158) = ( 0.0166667 0.4833333 0.0166667), wk = 0.0022272 k( 159) = ( 0.0083333 0.4916667 0.0083333), wk = 0.0022272 k( 160) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022272 k( 161) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022272 k( 162) = ( 0.0107410 0.5044105 -0.0107410), wk = 0.0022272 k( 163) = ( 0.0214820 0.5088210 -0.0214820), wk = 0.0022272 k( 164) = ( 0.0322230 0.5132315 -0.0322230), wk = 0.0022272 k( 165) = ( 0.0429640 0.5176420 -0.0429640), wk = 0.0022272 k( 166) = ( 0.0537050 0.5220525 -0.0537050), wk = 0.0022272 k( 167) = ( 0.0644460 0.5264630 -0.0644460), wk = 0.0022272 k( 168) = ( 0.0751871 0.5308736 -0.0751870), wk = 0.0022272 k( 169) = ( 0.0859281 0.5352841 -0.0859281), wk = 0.0022272 k( 170) = ( 0.0966691 0.5396946 -0.0966691), wk = 0.0022272 k( 171) = ( 0.1074101 0.5441051 -0.1074101), wk = 0.0022272 k( 172) = ( 0.1181511 0.5485156 -0.1181511), wk = 0.0022272 k( 173) = ( 0.1288921 0.5529261 -0.1288921), wk = 0.0022272 k( 174) = ( 0.1396331 0.5573366 -0.1396331), wk = 0.0022272 k( 175) = ( 0.1503741 0.5617471 -0.1503741), wk = 0.0022272 k( 176) = ( 0.1611151 0.5661576 -0.1611151), wk = 0.0022272 k( 177) = ( 0.1718561 0.5705681 -0.1718561), wk = 0.0022272 k( 178) = ( 0.1825971 0.5749786 -0.1825971), wk = 0.0022272 k( 179) = ( 0.1933381 0.5793891 -0.1933381), wk = 0.0022272 k( 180) = ( 0.2040791 0.5837997 -0.2040791), wk = 0.0022272 k( 181) = ( 0.2148201 0.5882102 -0.2148201), wk = 0.0022272 k( 182) = ( 0.2255611 0.5926207 -0.2255611), wk = 0.0022272 k( 183) = ( 0.2363021 0.5970312 -0.2363022), wk = 0.0022272 k( 184) = ( 0.2470432 0.6014417 -0.2470432), wk = 0.0022272 k( 185) = ( 0.2577842 0.6058522 -0.2577842), wk = 0.0022272 k( 186) = ( 0.2685252 0.6102627 -0.2685252), wk = 0.0022272 k( 187) = ( 0.2792662 0.6146732 -0.2792662), wk = 0.0022272 k( 188) = ( 0.2900072 0.6190837 -0.2900072), wk = 0.0022272 k( 189) = ( 0.3007482 0.6234942 -0.3007482), wk = 0.0022272 k( 190) = ( 0.3114892 0.6279047 -0.3114892), wk = 0.0022272 k( 191) = ( 0.3222302 0.6323152 -0.3222302), wk = 0.0022272 k( 192) = ( 0.3329712 0.6367258 -0.3329712), wk = 0.0022272 k( 193) = ( 0.3437122 0.6411363 -0.3437122), wk = 0.0022272 k( 194) = ( 0.3544532 0.6455468 -0.3544532), wk = 0.0022272 k( 195) = ( 0.3544532 0.6455468 -0.3544532), wk = 0.0022272 k( 196) = ( 0.3602751 0.6397249 -0.3602751), wk = 0.0022272 k( 197) = ( 0.3660970 0.6339030 -0.3660970), wk = 0.0022272 k( 198) = ( 0.3719188 0.6280812 -0.3719188), wk = 0.0022272 k( 199) = ( 0.3777407 0.6222593 -0.3777407), wk = 0.0022272 k( 200) = ( 0.3835626 0.6164374 -0.3835626), wk = 0.0022272 k( 201) = ( 0.3893844 0.6106156 -0.3893845), wk = 0.0022272 k( 202) = ( 0.3952063 0.6047937 -0.3952063), wk = 0.0022272 k( 203) = ( 0.4010282 0.5989718 -0.4010282), wk = 0.0022272 k( 204) = ( 0.4068501 0.5931499 -0.4068501), wk = 0.0022272 k( 205) = ( 0.4126719 0.5873281 -0.4126719), wk = 0.0022272 k( 206) = ( 0.4184938 0.5815062 -0.4184938), wk = 0.0022272 k( 207) = ( 0.4243157 0.5756843 -0.4243157), wk = 0.0022272 k( 208) = ( 0.4301375 0.5698625 -0.4301375), wk = 0.0022272 k( 209) = ( 0.4359594 0.5640406 -0.4359594), wk = 0.0022272 k( 210) = ( 0.4417813 0.5582187 -0.4417813), wk = 0.0022272 k( 211) = ( 0.4476032 0.5523968 -0.4476032), wk = 0.0022272 k( 212) = ( 0.4534250 0.5465750 -0.4534250), wk = 0.0022272 k( 213) = ( 0.4592469 0.5407531 -0.4592469), wk = 0.0022272 k( 214) = ( 0.4650688 0.5349312 -0.4650688), wk = 0.0022272 k( 215) = ( 0.4708906 0.5291094 -0.4708906), wk = 0.0022272 k( 216) = ( 0.4767125 0.5232875 -0.4767125), wk = 0.0022272 k( 217) = ( 0.4825344 0.5174656 -0.4825344), wk = 0.0022272 k( 218) = ( 0.4883563 0.5116437 -0.4883563), wk = 0.0022272 k( 219) = ( 0.4941781 0.5058219 -0.4941781), wk = 0.0022272 k( 220) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0022272 k( 221) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0022272 k( 222) = ( 0.4910714 0.4910714 -0.4910714), wk = 0.0022272 k( 223) = ( 0.4821429 0.4821429 -0.4821429), wk = 0.0022272 k( 224) = ( 0.4732143 0.4732143 -0.4732143), wk = 0.0022272 k( 225) = ( 0.4642857 0.4642857 -0.4642857), wk = 0.0022272 k( 226) = ( 0.4553571 0.4553571 -0.4553571), wk = 0.0022272 k( 227) = ( 0.4464286 0.4464286 -0.4464286), wk = 0.0022272 k( 228) = ( 0.4375000 0.4375000 -0.4375000), wk = 0.0022272 k( 229) = ( 0.4285714 0.4285714 -0.4285714), wk = 0.0022272 k( 230) = ( 0.4196429 0.4196429 -0.4196429), wk = 0.0022272 k( 231) = ( 0.4107143 0.4107143 -0.4107143), wk = 0.0022272 k( 232) = ( 0.4017857 0.4017857 -0.4017857), wk = 0.0022272 k( 233) = ( 0.3928571 0.3928571 -0.3928571), wk = 0.0022272 k( 234) = ( 0.3839286 0.3839286 -0.3839286), wk = 0.0022272 k( 235) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0022272 k( 236) = ( 0.3660714 0.3660714 -0.3660714), wk = 0.0022272 k( 237) = ( 0.3571429 0.3571429 -0.3571429), wk = 0.0022272 k( 238) = ( 0.3482143 0.3482143 -0.3482143), wk = 0.0022272 k( 239) = ( 0.3392857 0.3392857 -0.3392857), wk = 0.0022272 k( 240) = ( 0.3303571 0.3303571 -0.3303571), wk = 0.0022272 k( 241) = ( 0.3214286 0.3214286 -0.3214286), wk = 0.0022272 k( 242) = ( 0.3125000 0.3125000 -0.3125000), wk = 0.0022272 k( 243) = ( 0.3035714 0.3035714 -0.3035714), wk = 0.0022272 k( 244) = ( 0.2946429 0.2946429 -0.2946429), wk = 0.0022272 k( 245) = ( 0.2857143 0.2857143 -0.2857143), wk = 0.0022272 k( 246) = ( 0.2767857 0.2767857 -0.2767857), wk = 0.0022272 k( 247) = ( 0.2678571 0.2678571 -0.2678571), wk = 0.0022272 k( 248) = ( 0.2589286 0.2589286 -0.2589286), wk = 0.0022272 k( 249) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0022272 k( 250) = ( 0.2410714 0.2410714 -0.2410714), wk = 0.0022272 k( 251) = ( 0.2321429 0.2321429 -0.2321429), wk = 0.0022272 k( 252) = ( 0.2232143 0.2232143 -0.2232143), wk = 0.0022272 k( 253) = ( 0.2142857 0.2142857 -0.2142857), wk = 0.0022272 k( 254) = ( 0.2053571 0.2053571 -0.2053571), wk = 0.0022272 k( 255) = ( 0.1964286 0.1964286 -0.1964286), wk = 0.0022272 k( 256) = ( 0.1875000 0.1875000 -0.1875000), wk = 0.0022272 k( 257) = ( 0.1785714 0.1785714 -0.1785714), wk = 0.0022272 k( 258) = ( 0.1696429 0.1696429 -0.1696429), wk = 0.0022272 k( 259) = ( 0.1607143 0.1607143 -0.1607143), wk = 0.0022272 k( 260) = ( 0.1517857 0.1517857 -0.1517857), wk = 0.0022272 k( 261) = ( 0.1428571 0.1428571 -0.1428571), wk = 0.0022272 k( 262) = ( 0.1339286 0.1339286 -0.1339286), wk = 0.0022272 k( 263) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0022272 k( 264) = ( 0.1160714 0.1160714 -0.1160714), wk = 0.0022272 k( 265) = ( 0.1071429 0.1071429 -0.1071429), wk = 0.0022272 k( 266) = ( 0.0982143 0.0982143 -0.0982143), wk = 0.0022272 k( 267) = ( 0.0892857 0.0892857 -0.0892857), wk = 0.0022272 k( 268) = ( 0.0803571 0.0803571 -0.0803571), wk = 0.0022272 k( 269) = ( 0.0714286 0.0714286 -0.0714286), wk = 0.0022272 k( 270) = ( 0.0625000 0.0625000 -0.0625000), wk = 0.0022272 k( 271) = ( 0.0535714 0.0535714 -0.0535714), wk = 0.0022272 k( 272) = ( 0.0446429 0.0446429 -0.0446429), wk = 0.0022272 k( 273) = ( 0.0357143 0.0357143 -0.0357143), wk = 0.0022272 k( 274) = ( 0.0267857 0.0267857 -0.0267857), wk = 0.0022272 k( 275) = ( 0.0178571 0.0178571 -0.0178571), wk = 0.0022272 k( 276) = ( 0.0089286 0.0089286 -0.0089286), wk = 0.0022272 k( 277) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022272 k( 278) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022272 k( 279) = ( 0.0084508 -0.0084508 0.0084508), wk = 0.0022272 k( 280) = ( 0.0169016 -0.0169016 0.0169016), wk = 0.0022272 k( 281) = ( 0.0253523 -0.0253523 0.0253523), wk = 0.0022272 k( 282) = ( 0.0338031 -0.0338031 0.0338031), wk = 0.0022272 k( 283) = ( 0.0422539 -0.0422539 0.0422539), wk = 0.0022272 k( 284) = ( 0.0507047 -0.0507047 0.0507047), wk = 0.0022272 k( 285) = ( 0.0591555 -0.0591555 0.0591555), wk = 0.0022272 k( 286) = ( 0.0676063 -0.0676062 0.0676062), wk = 0.0022272 k( 287) = ( 0.0760570 -0.0760570 0.0760570), wk = 0.0022272 k( 288) = ( 0.0845078 -0.0845078 0.0845078), wk = 0.0022272 k( 289) = ( 0.0929586 -0.0929586 0.0929586), wk = 0.0022272 k( 290) = ( 0.1014094 -0.1014094 0.1014094), wk = 0.0022272 k( 291) = ( 0.1098602 -0.1098602 0.1098602), wk = 0.0022272 k( 292) = ( 0.1183109 -0.1183109 0.1183109), wk = 0.0022272 k( 293) = ( 0.1267617 -0.1267617 0.1267617), wk = 0.0022272 k( 294) = ( 0.1352125 -0.1352125 0.1352125), wk = 0.0022272 k( 295) = ( 0.1436633 -0.1436633 0.1436633), wk = 0.0022272 k( 296) = ( 0.1521141 -0.1521141 0.1521141), wk = 0.0022272 k( 297) = ( 0.1605648 -0.1605648 0.1605648), wk = 0.0022272 k( 298) = ( 0.1690156 -0.1690156 0.1690156), wk = 0.0022272 k( 299) = ( 0.1774664 -0.1774664 0.1774664), wk = 0.0022272 k( 300) = ( 0.1859172 -0.1859172 0.1859172), wk = 0.0022272 k( 301) = ( 0.1943680 -0.1943680 0.1943680), wk = 0.0022272 k( 302) = ( 0.2028187 -0.2028187 0.2028187), wk = 0.0022272 k( 303) = ( 0.2112695 -0.2112695 0.2112695), wk = 0.0022272 k( 304) = ( 0.2197203 -0.2197203 0.2197203), wk = 0.0022272 k( 305) = ( 0.2281711 -0.2281711 0.2281711), wk = 0.0022272 k( 306) = ( 0.2366219 -0.2366219 0.2366219), wk = 0.0022272 k( 307) = ( 0.2450727 -0.2450727 0.2450727), wk = 0.0022272 k( 308) = ( 0.2535234 -0.2535234 0.2535234), wk = 0.0022272 k( 309) = ( 0.2619742 -0.2619742 0.2619742), wk = 0.0022272 k( 310) = ( 0.2704250 -0.2704250 0.2704250), wk = 0.0022272 k( 311) = ( 0.2788758 -0.2788758 0.2788758), wk = 0.0022272 k( 312) = ( 0.2873266 -0.2873266 0.2873266), wk = 0.0022272 k( 313) = ( 0.2957773 -0.2957773 0.2957773), wk = 0.0022272 k( 314) = ( 0.3042281 -0.3042281 0.3042281), wk = 0.0022272 k( 315) = ( 0.3126789 -0.3126789 0.3126789), wk = 0.0022272 k( 316) = ( 0.3211297 -0.3211297 0.3211297), wk = 0.0022272 k( 317) = ( 0.3295805 -0.3295805 0.3295805), wk = 0.0022272 k( 318) = ( 0.3380313 -0.3380313 0.3380312), wk = 0.0022272 k( 319) = ( 0.3464820 -0.3464820 0.3464820), wk = 0.0022272 k( 320) = ( 0.3549328 -0.3549328 0.3549328), wk = 0.0022272 k( 321) = ( 0.3633836 -0.3633836 0.3633836), wk = 0.0022272 k( 322) = ( 0.3718344 -0.3718344 0.3718344), wk = 0.0022272 k( 323) = ( 0.3802852 -0.3802852 0.3802852), wk = 0.0022272 k( 324) = ( 0.3887359 -0.3887359 0.3887359), wk = 0.0022272 k( 325) = ( 0.3971867 -0.3971867 0.3971867), wk = 0.0022272 k( 326) = ( 0.4056375 -0.4056375 0.4056375), wk = 0.0022272 k( 327) = ( 0.4140883 -0.4140883 0.4140883), wk = 0.0022272 k( 328) = ( 0.4225391 -0.4225391 0.4225391), wk = 0.0022272 k( 329) = ( 0.4309898 -0.4309898 0.4309898), wk = 0.0022272 k( 330) = ( 0.4394406 -0.4394406 0.4394406), wk = 0.0022272 k( 331) = ( 0.4478914 -0.4478914 0.4478914), wk = 0.0022272 k( 332) = ( 0.4563422 -0.4563422 0.4563422), wk = 0.0022272 k( 333) = ( 0.4647930 -0.4647930 0.4647930), wk = 0.0022272 k( 334) = ( 0.4732438 -0.4732438 0.4732437), wk = 0.0022272 k( 335) = ( 0.4732438 -0.4732438 0.4732437), wk = 0.0022272 k( 336) = ( 0.4739298 -0.4611093 0.4611093), wk = 0.0022272 k( 337) = ( 0.4746159 -0.4489748 0.4489748), wk = 0.0022272 k( 338) = ( 0.4753019 -0.4368404 0.4368404), wk = 0.0022272 k( 339) = ( 0.4759880 -0.4247059 0.4247059), wk = 0.0022272 k( 340) = ( 0.4766740 -0.4125715 0.4125715), wk = 0.0022272 k( 341) = ( 0.4773601 -0.4004370 0.4004370), wk = 0.0022272 k( 342) = ( 0.4780462 -0.3883026 0.3883026), wk = 0.0022272 k( 343) = ( 0.4787322 -0.3761681 0.3761681), wk = 0.0022272 k( 344) = ( 0.4794183 -0.3640336 0.3640336), wk = 0.0022272 k( 345) = ( 0.4801043 -0.3518992 0.3518992), wk = 0.0022272 k( 346) = ( 0.4807904 -0.3397647 0.3397647), wk = 0.0022272 k( 347) = ( 0.4814764 -0.3276303 0.3276303), wk = 0.0022272 k( 348) = ( 0.4821625 -0.3154958 0.3154958), wk = 0.0022272 k( 349) = ( 0.4828486 -0.3033614 0.3033614), wk = 0.0022272 k( 350) = ( 0.4835346 -0.2912269 0.2912269), wk = 0.0022272 k( 351) = ( 0.4842207 -0.2790925 0.2790925), wk = 0.0022272 k( 352) = ( 0.4849067 -0.2669580 0.2669580), wk = 0.0022272 k( 353) = ( 0.4855928 -0.2548236 0.2548236), wk = 0.0022272 k( 354) = ( 0.4862788 -0.2426891 0.2426891), wk = 0.0022272 k( 355) = ( 0.4869649 -0.2305547 0.2305546), wk = 0.0022272 k( 356) = ( 0.4876510 -0.2184202 0.2184202), wk = 0.0022272 k( 357) = ( 0.4883370 -0.2062857 0.2062857), wk = 0.0022272 k( 358) = ( 0.4890231 -0.1941513 0.1941513), wk = 0.0022272 k( 359) = ( 0.4897091 -0.1820168 0.1820168), wk = 0.0022272 k( 360) = ( 0.4903952 -0.1698824 0.1698824), wk = 0.0022272 k( 361) = ( 0.4910813 -0.1577479 0.1577479), wk = 0.0022272 k( 362) = ( 0.4917673 -0.1456135 0.1456135), wk = 0.0022272 k( 363) = ( 0.4924534 -0.1334790 0.1334790), wk = 0.0022272 k( 364) = ( 0.4931394 -0.1213445 0.1213445), wk = 0.0022272 k( 365) = ( 0.4938255 -0.1092101 0.1092101), wk = 0.0022272 k( 366) = ( 0.4945115 -0.0970756 0.0970756), wk = 0.0022272 k( 367) = ( 0.4951976 -0.0849412 0.0849412), wk = 0.0022272 k( 368) = ( 0.4958837 -0.0728067 0.0728067), wk = 0.0022272 k( 369) = ( 0.4965697 -0.0606723 0.0606723), wk = 0.0022272 k( 370) = ( 0.4972558 -0.0485378 0.0485378), wk = 0.0022272 k( 371) = ( 0.4979418 -0.0364034 0.0364034), wk = 0.0022272 k( 372) = ( 0.4986279 -0.0242689 0.0242689), wk = 0.0022272 k( 373) = ( 0.4993139 -0.0121345 0.0121345), wk = 0.0022272 k( 374) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0022272 k( 375) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0022272 k( 376) = ( 0.4941860 0.0058139 0.0058139), wk = 0.0022272 k( 377) = ( 0.4883721 0.0116279 0.0116279), wk = 0.0022272 k( 378) = ( 0.4825581 0.0174419 0.0174419), wk = 0.0022272 k( 379) = ( 0.4767442 0.0232558 0.0232558), wk = 0.0022272 k( 380) = ( 0.4709302 0.0290698 0.0290698), wk = 0.0022272 k( 381) = ( 0.4651163 0.0348837 0.0348837), wk = 0.0022272 k( 382) = ( 0.4593023 0.0406977 0.0406977), wk = 0.0022272 k( 383) = ( 0.4534884 0.0465116 0.0465116), wk = 0.0022272 k( 384) = ( 0.4476744 0.0523256 0.0523256), wk = 0.0022272 k( 385) = ( 0.4418605 0.0581395 0.0581395), wk = 0.0022272 k( 386) = ( 0.4360465 0.0639535 0.0639535), wk = 0.0022272 k( 387) = ( 0.4302326 0.0697674 0.0697674), wk = 0.0022272 k( 388) = ( 0.4244186 0.0755814 0.0755814), wk = 0.0022272 k( 389) = ( 0.4186047 0.0813953 0.0813953), wk = 0.0022272 k( 390) = ( 0.4127907 0.0872093 0.0872093), wk = 0.0022272 k( 391) = ( 0.4069767 0.0930233 0.0930233), wk = 0.0022272 k( 392) = ( 0.4011628 0.0988372 0.0988372), wk = 0.0022272 k( 393) = ( 0.3953488 0.1046512 0.1046512), wk = 0.0022272 k( 394) = ( 0.3895349 0.1104651 0.1104651), wk = 0.0022272 k( 395) = ( 0.3837209 0.1162791 0.1162791), wk = 0.0022272 k( 396) = ( 0.3779070 0.1220930 0.1220930), wk = 0.0022272 k( 397) = ( 0.3720930 0.1279070 0.1279070), wk = 0.0022272 k( 398) = ( 0.3662791 0.1337209 0.1337209), wk = 0.0022272 k( 399) = ( 0.3604651 0.1395349 0.1395349), wk = 0.0022272 k( 400) = ( 0.3546512 0.1453488 0.1453488), wk = 0.0022272 k( 401) = ( 0.3488372 0.1511628 0.1511628), wk = 0.0022272 k( 402) = ( 0.3430233 0.1569767 0.1569767), wk = 0.0022272 k( 403) = ( 0.3372093 0.1627907 0.1627907), wk = 0.0022272 k( 404) = ( 0.3313953 0.1686047 0.1686046), wk = 0.0022272 k( 405) = ( 0.3255814 0.1744186 0.1744186), wk = 0.0022272 k( 406) = ( 0.3197674 0.1802326 0.1802326), wk = 0.0022272 k( 407) = ( 0.3139535 0.1860465 0.1860465), wk = 0.0022272 k( 408) = ( 0.3081395 0.1918605 0.1918605), wk = 0.0022272 k( 409) = ( 0.3023256 0.1976744 0.1976744), wk = 0.0022272 k( 410) = ( 0.2965116 0.2034884 0.2034884), wk = 0.0022272 k( 411) = ( 0.2906977 0.2093023 0.2093023), wk = 0.0022272 k( 412) = ( 0.2848837 0.2151163 0.2151163), wk = 0.0022272 k( 413) = ( 0.2790698 0.2209302 0.2209302), wk = 0.0022272 k( 414) = ( 0.2732558 0.2267442 0.2267442), wk = 0.0022272 k( 415) = ( 0.2674419 0.2325581 0.2325581), wk = 0.0022272 k( 416) = ( 0.2616279 0.2383721 0.2383721), wk = 0.0022272 k( 417) = ( 0.2558140 0.2441860 0.2441860), wk = 0.0022272 k( 418) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022272 k( 419) = ( 0.3276970 -0.3276970 0.6187905), wk = 0.0022272 k( 420) = ( 0.3335188 -0.3335189 0.6129687), wk = 0.0022272 k( 421) = ( 0.3393407 -0.3393407 0.6071468), wk = 0.0022272 k( 422) = ( 0.3451626 -0.3451626 0.6013249), wk = 0.0022272 k( 423) = ( 0.3509845 -0.3509845 0.5955030), wk = 0.0022272 k( 424) = ( 0.3568063 -0.3568063 0.5896812), wk = 0.0022272 k( 425) = ( 0.3626282 -0.3626282 0.5838593), wk = 0.0022272 k( 426) = ( 0.3684501 -0.3684501 0.5780374), wk = 0.0022272 k( 427) = ( 0.3742719 -0.3742719 0.5722156), wk = 0.0022272 k( 428) = ( 0.3800938 -0.3800938 0.5663937), wk = 0.0022272 k( 429) = ( 0.3859157 -0.3859157 0.5605718), wk = 0.0022272 k( 430) = ( 0.3917376 -0.3917376 0.5547499), wk = 0.0022272 k( 431) = ( 0.3975594 -0.3975594 0.5489281), wk = 0.0022272 k( 432) = ( 0.4033813 -0.4033813 0.5431062), wk = 0.0022272 k( 433) = ( 0.4092032 -0.4092032 0.5372843), wk = 0.0022272 k( 434) = ( 0.4150250 -0.4150250 0.5314625), wk = 0.0022272 k( 435) = ( 0.4208469 -0.4208469 0.5256406), wk = 0.0022272 k( 436) = ( 0.4266688 -0.4266688 0.5198187), wk = 0.0022272 k( 437) = ( 0.4324906 -0.4324906 0.5139969), wk = 0.0022272 k( 438) = ( 0.4383125 -0.4383125 0.5081750), wk = 0.0022272 k( 439) = ( 0.4441344 -0.4441344 0.5023531), wk = 0.0022272 k( 440) = ( 0.4499563 -0.4499563 0.4965312), wk = 0.0022272 k( 441) = ( 0.4557781 -0.4557781 0.4907094), wk = 0.0022272 k( 442) = ( 0.4616000 -0.4616000 0.4848875), wk = 0.0022272 k( 443) = ( 0.4674219 -0.4674219 0.4790656), wk = 0.0022272 k( 444) = ( 0.4732438 -0.4732438 0.4732437), wk = 0.0022272 k( 445) = ( 0.5267563 0.4732437 -0.4732437), wk = 0.0022272 k( 446) = ( 0.5200672 0.4799328 -0.4799328), wk = 0.0022272 k( 447) = ( 0.5133781 0.4866219 -0.4866219), wk = 0.0022272 k( 448) = ( 0.5066891 0.4933109 -0.4933109), wk = 0.0022272 k( 449) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0022272 Dense grid: 37041 G-vectors FFT dimensions: ( 48, 48, 48) Smooth grid: 27759 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 152, 34) NL pseudopotentials 0.06 Mb ( 76, 56) Each V/rho on FFT grid 0.04 Mb ( 2304) Each G-vector array 0.01 Mb ( 771) G-vector shells 0.01 Mb ( 717) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.32 Mb ( 152, 136) Each subspace H/S matrix 0.28 Mb ( 136, 136) Each matrix 0.06 Mb ( 56, 2, 34) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./NaNO2.save/charge-density.dat Starting wfc are 34 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.1 secs Computing kpt #: 2 total cpu time spent up to now is 43.1 secs Computing kpt #: 3 total cpu time spent up to now is 44.4 secs Computing kpt #: 4 total cpu time spent up to now is 45.2 secs Computing kpt #: 5 total cpu time spent up to now is 46.2 secs Computing kpt #: 6 total cpu time spent up to now is 47.0 secs Computing kpt #: 7 total cpu time spent up to now is 48.1 secs Computing kpt #: 8 total cpu time spent up to now is 49.2 secs Computing kpt #: 9 total cpu time spent up to now is 50.4 secs Computing kpt #: 10 total cpu time spent up to now is 51.3 secs Computing kpt #: 11 total cpu time spent up to now is 52.3 secs Computing kpt #: 12 total cpu time spent up to now is 53.3 secs Computing kpt #: 13 total cpu time spent up to now is 54.3 secs Computing kpt #: 14 total cpu time spent up to now is 55.7 secs Computing kpt #: 15 total cpu time spent up to now is 56.7 secs Computing kpt #: 16 total cpu time spent up to now is 57.7 secs Computing kpt #: 17 total cpu time spent up to now is 58.8 secs Computing kpt #: 18 total cpu time spent up to now is 59.9 secs Computing kpt #: 19 total cpu time spent up to now is 61.1 secs Computing kpt #: 20 total cpu time spent up to now is 62.3 secs Computing kpt #: 21 total cpu time spent up to now is 63.3 secs Computing kpt #: 22 total cpu time spent up to now is 64.3 secs Computing kpt #: 23 total cpu time spent up to now is 65.1 secs Computing kpt #: 24 total cpu time spent up to now is 66.0 secs Computing kpt #: 25 total cpu time spent up to now is 67.0 secs Computing kpt #: 26 total cpu time spent up to now is 67.8 secs Computing kpt #: 27 total cpu time spent up to now is 68.8 secs Computing kpt #: 28 total cpu time spent up to now is 69.6 secs Computing kpt #: 29 total cpu time spent up to now is 70.4 secs Computing kpt #: 30 total cpu time spent up to now is 71.2 secs Computing kpt #: 31 total cpu time spent up to now is 72.0 secs Computing kpt #: 32 total cpu time spent up to now is 72.7 secs Computing kpt #: 33 total cpu time spent up to now is 73.8 secs Computing kpt #: 34 total cpu time spent up to now is 74.4 secs Computing kpt #: 35 total cpu time spent up to now is 75.1 secs Computing kpt #: 36 total cpu time spent up to now is 75.7 secs Computing kpt #: 37 total cpu time spent up to now is 76.4 secs Computing kpt #: 38 total cpu time spent up to now is 77.1 secs Computing kpt #: 39 total cpu time spent up to now is 77.8 secs Computing kpt #: 40 total cpu time spent up to now is 78.8 secs Computing kpt #: 41 total cpu time spent up to now is 79.5 secs Computing kpt #: 42 total cpu time spent up to now is 80.2 secs Computing kpt #: 43 total cpu time spent up to now is 80.8 secs Computing kpt #: 44 total cpu time spent up to now is 81.4 secs Computing kpt #: 45 total cpu time spent up to now is 82.1 secs Computing kpt #: 46 total cpu time spent up to now is 82.7 secs Computing kpt #: 47 total cpu time spent up to now is 83.5 secs Computing kpt #: 48 total cpu time spent up to now is 84.4 secs Computing kpt #: 49 total cpu time spent up to now is 85.2 secs Computing kpt #: 50 total cpu time spent up to now is 86.0 secs Computing kpt #: 51 total cpu time spent up to now is 86.7 secs Computing kpt #: 52 total cpu time spent up to now is 87.6 secs Computing kpt #: 53 total cpu time spent up to now is 88.6 secs Computing kpt #: 54 total cpu time spent up to now is 89.4 secs Computing kpt #: 55 total cpu time spent up to now is 90.1 secs Computing kpt #: 56 total cpu time spent up to now is 91.1 secs Computing kpt #: 57 total cpu time spent up to now is 92.1 secs Computing kpt #: 58 total cpu time spent up to now is 92.8 secs Computing kpt #: 59 total cpu time spent up to now is 93.4 secs Computing kpt #: 60 total cpu time spent up to now is 94.1 secs Computing kpt #: 61 total cpu time spent up to now is 94.8 secs Computing kpt #: 62 total cpu time spent up to now is 95.6 secs Computing kpt #: 63 total cpu time spent up to now is 96.3 secs Computing kpt #: 64 total cpu time spent up to now is 97.3 secs Computing kpt #: 65 total cpu time spent up to now is 98.1 secs Computing kpt #: 66 total cpu time spent up to now is 99.1 secs Computing kpt #: 67 total cpu time spent up to now is 99.8 secs Computing kpt #: 68 total cpu time spent up to now is 100.6 secs Computing kpt #: 69 total cpu time spent up to now is 101.3 secs Computing kpt #: 70 total cpu time spent up to now is 102.2 secs Computing kpt #: 71 total cpu time spent up to now is 103.0 secs Computing kpt #: 72 total cpu time spent up to now is 103.7 secs Computing kpt #: 73 total cpu time spent up to now is 104.9 secs Computing kpt #: 74 total cpu time spent up to now is 105.7 secs Computing kpt #: 75 total cpu time spent up to now is 106.5 secs Computing kpt #: 76 total cpu time spent up to now is 107.8 secs Computing kpt #: 77 total cpu time spent up to now is 109.1 secs Computing kpt #: 78 total cpu time spent up to now is 110.7 secs Computing kpt #: 79 total cpu time spent up to now is 112.1 secs Computing kpt #: 80 total cpu time spent up to now is 113.4 secs Computing kpt #: 81 total cpu time spent up to now is 114.4 secs Computing kpt #: 82 total cpu time spent up to now is 115.3 secs Computing kpt #: 83 total cpu time spent up to now is 116.2 secs Computing kpt #: 84 total cpu time spent up to now is 117.3 secs Computing kpt #: 85 total cpu time spent up to now is 118.1 secs Computing kpt #: 86 total cpu time spent up to now is 118.9 secs Computing kpt #: 87 total cpu time spent up to now is 119.8 secs Computing kpt #: 88 total cpu time spent up to now is 120.6 secs Computing kpt #: 89 total cpu time spent up to now is 121.4 secs Computing kpt #: 90 total cpu time spent up to now is 122.4 secs Computing kpt #: 91 total cpu time spent up to now is 123.5 secs Computing kpt #: 92 total cpu time spent up to now is 124.4 secs Computing kpt #: 93 total cpu time spent up to now is 125.2 secs Computing kpt #: 94 total cpu time spent up to now is 126.0 secs Computing kpt #: 95 total cpu time spent up to now is 126.9 secs Computing kpt #: 96 total cpu time spent up to now is 127.9 secs Computing kpt #: 97 total cpu time spent up to now is 128.7 secs Computing kpt #: 98 total cpu time spent up to now is 129.5 secs Computing kpt #: 99 total cpu time spent up to now is 130.3 secs Computing kpt #: 100 total cpu time spent up to now is 130.9 secs Computing kpt #: 101 total cpu time spent up to now is 131.6 secs Computing kpt #: 102 total cpu time spent up to now is 132.6 secs Computing kpt #: 103 total cpu time spent up to now is 133.4 secs Computing kpt #: 104 total cpu time spent up to now is 134.3 secs Computing kpt #: 105 total cpu time spent up to now is 135.1 secs Computing kpt #: 106 total cpu time spent up to now is 135.9 secs Computing kpt #: 107 total cpu time spent up to now is 136.6 secs Computing kpt #: 108 total cpu time spent up to now is 137.4 secs Computing kpt #: 109 total cpu time spent up to now is 138.2 secs Computing kpt #: 110 total cpu time spent up to now is 139.2 secs Computing kpt #: 111 total cpu time spent up to now is 140.3 secs Computing kpt #: 112 total cpu time spent up to now is 140.9 secs Computing kpt #: 113 total cpu time spent up to now is 141.7 secs Computing kpt #: 114 total cpu time spent up to now is 142.5 secs Computing kpt #: 115 total cpu time spent up to now is 143.2 secs Computing kpt #: 116 total cpu time spent up to now is 144.0 secs Computing kpt #: 117 total cpu time spent up to now is 144.7 secs Computing kpt #: 118 total cpu time spent up to now is 145.7 secs Computing kpt #: 119 total cpu time spent up to now is 146.3 secs Computing kpt #: 120 total cpu time spent up to now is 147.0 secs Computing kpt #: 121 total cpu time spent up to now is 147.6 secs Computing kpt #: 122 total cpu time spent up to now is 148.2 secs Computing kpt #: 123 total cpu time spent up to now is 148.9 secs Computing kpt #: 124 total cpu time spent up to now is 149.5 secs Computing kpt #: 125 total cpu time spent up to now is 150.5 secs Computing kpt #: 126 total cpu time spent up to now is 151.2 secs Computing kpt #: 127 total cpu time spent up to now is 151.8 secs Computing kpt #: 128 total cpu time spent up to now is 152.5 secs Computing kpt #: 129 total cpu time spent up to now is 153.1 secs Computing kpt #: 130 total cpu time spent up to now is 153.7 secs Computing kpt #: 131 total cpu time spent up to now is 154.3 secs Computing kpt #: 132 total cpu time spent up to now is 155.0 secs Computing kpt #: 133 total cpu time spent up to now is 155.6 secs Computing kpt #: 134 total cpu time spent up to now is 156.3 secs Computing kpt #: 135 total cpu time spent up to now is 157.3 secs Computing kpt #: 136 total cpu time spent up to now is 158.1 secs Computing kpt #: 137 total cpu time spent up to now is 158.8 secs Computing kpt #: 138 total cpu time spent up to now is 159.6 secs Computing kpt #: 139 total cpu time spent up to now is 160.4 secs Computing kpt #: 140 total cpu time spent up to now is 161.2 secs Computing kpt #: 141 total cpu time spent up to now is 162.0 secs Computing kpt #: 142 total cpu time spent up to now is 162.9 secs Computing kpt #: 143 total cpu time spent up to now is 163.9 secs Computing kpt #: 144 total cpu time spent up to now is 164.7 secs Computing kpt #: 145 total cpu time spent up to now is 165.5 secs Computing kpt #: 146 total cpu time spent up to now is 166.2 secs Computing kpt #: 147 total cpu time spent up to now is 167.0 secs Computing kpt #: 148 total cpu time spent up to now is 167.8 secs Computing kpt #: 149 total cpu time spent up to now is 168.8 secs Computing kpt #: 150 total cpu time spent up to now is 169.8 secs Computing kpt #: 151 total cpu time spent up to now is 170.6 secs Computing kpt #: 152 total cpu time spent up to now is 171.4 secs Computing kpt #: 153 total cpu time spent up to now is 172.1 secs Computing kpt #: 154 total cpu time spent up to now is 172.8 secs Computing kpt #: 155 total cpu time spent up to now is 173.6 secs Computing kpt #: 156 total cpu time spent up to now is 174.3 secs Computing kpt #: 157 total cpu time spent up to now is 175.5 secs Computing kpt #: 158 total cpu time spent up to now is 176.2 secs Computing kpt #: 159 total cpu time spent up to now is 176.9 secs Computing kpt #: 160 total cpu time spent up to now is 177.6 secs Computing kpt #: 161 total cpu time spent up to now is 178.3 secs Computing kpt #: 162 total cpu time spent up to now is 178.9 secs Computing kpt #: 163 total cpu time spent up to now is 179.5 secs Computing kpt #: 164 total cpu time spent up to now is 180.5 secs Computing kpt #: 165 total cpu time spent up to now is 181.4 secs Computing kpt #: 166 total cpu time spent up to now is 182.1 secs Computing kpt #: 167 total cpu time spent up to now is 182.9 secs Computing kpt #: 168 total cpu time spent up to now is 183.5 secs Computing kpt #: 169 total cpu time spent up to now is 184.2 secs Computing kpt #: 170 total cpu time spent up to now is 184.9 secs Computing kpt #: 171 total cpu time spent up to now is 185.6 secs Computing kpt #: 172 total cpu time spent up to now is 186.5 secs Computing kpt #: 173 total cpu time spent up to now is 187.4 secs Computing kpt #: 174 total cpu time spent up to now is 188.2 secs Computing kpt #: 175 total cpu time spent up to now is 188.9 secs Computing kpt #: 176 total cpu time spent up to now is 189.5 secs Computing kpt #: 177 total cpu time spent up to now is 190.2 secs Computing kpt #: 178 total cpu time spent up to now is 191.0 secs Computing kpt #: 179 total cpu time spent up to now is 192.0 secs Computing kpt #: 180 total cpu time spent up to now is 193.0 secs Computing kpt #: 181 total cpu time spent up to now is 193.7 secs Computing kpt #: 182 total cpu time spent up to now is 194.5 secs Computing kpt #: 183 total cpu time spent up to now is 195.2 secs Computing kpt #: 184 total cpu time spent up to now is 196.0 secs Computing kpt #: 185 total cpu time spent up to now is 196.7 secs Computing kpt #: 186 total cpu time spent up to now is 197.7 secs Computing kpt #: 187 total cpu time spent up to now is 198.5 secs Computing kpt #: 188 total cpu time spent up to now is 199.2 secs Computing kpt #: 189 total cpu time spent up to now is 199.9 secs Computing kpt #: 190 total cpu time spent up to now is 200.7 secs Computing kpt #: 191 total cpu time spent up to now is 201.4 secs Computing kpt #: 192 total cpu time spent up to now is 202.3 secs Computing kpt #: 193 total cpu time spent up to now is 203.1 secs Computing kpt #: 194 total cpu time spent up to now is 203.9 secs Computing kpt #: 195 total cpu time spent up to now is 204.6 secs Computing kpt #: 196 total cpu time spent up to now is 205.4 secs Computing kpt #: 197 total cpu time spent up to now is 206.1 secs Computing kpt #: 198 total cpu time spent up to now is 207.2 secs Computing kpt #: 199 total cpu time spent up to now is 207.9 secs Computing kpt #: 200 total cpu time spent up to now is 208.9 secs Computing kpt #: 201 total cpu time spent up to now is 209.7 secs Computing kpt #: 202 total cpu time spent up to now is 210.5 secs Computing kpt #: 203 total cpu time spent up to now is 211.3 secs Computing kpt #: 204 total cpu time spent up to now is 212.1 secs Computing kpt #: 205 total cpu time spent up to now is 212.8 secs Computing kpt #: 206 total cpu time spent up to now is 213.8 secs Computing kpt #: 207 total cpu time spent up to now is 214.7 secs Computing kpt #: 208 total cpu time spent up to now is 215.5 secs Computing kpt #: 209 total cpu time spent up to now is 216.3 secs Computing kpt #: 210 total cpu time spent up to now is 217.0 secs Computing kpt #: 211 total cpu time spent up to now is 217.8 secs Computing kpt #: 212 total cpu time spent up to now is 218.7 secs Computing kpt #: 213 total cpu time spent up to now is 219.5 secs Computing kpt #: 214 total cpu time spent up to now is 220.1 secs Computing kpt #: 215 total cpu time spent up to now is 220.8 secs Computing kpt #: 216 total cpu time spent up to now is 221.5 secs Computing kpt #: 217 total cpu time spent up to now is 222.2 secs Computing kpt #: 218 total cpu time spent up to now is 222.8 secs Computing kpt #: 219 total cpu time spent up to now is 223.7 secs Computing kpt #: 220 total cpu time spent up to now is 224.5 secs Computing kpt #: 221 total cpu time spent up to now is 225.4 secs Computing kpt #: 222 total cpu time spent up to now is 226.3 secs Computing kpt #: 223 total cpu time spent up to now is 226.9 secs Computing kpt #: 224 total cpu time spent up to now is 227.6 secs Computing kpt #: 225 total cpu time spent up to now is 228.3 secs Computing kpt #: 226 total cpu time spent up to now is 229.0 secs Computing kpt #: 227 total cpu time spent up to now is 229.7 secs Computing kpt #: 228 total cpu time spent up to now is 230.6 secs Computing kpt #: 229 total cpu time spent up to now is 231.3 secs Computing kpt #: 230 total cpu time spent up to now is 232.0 secs Computing kpt #: 231 total cpu time spent up to now is 232.6 secs Computing kpt #: 232 total cpu time spent up to now is 233.2 secs Computing kpt #: 233 total cpu time spent up to now is 233.9 secs Computing kpt #: 234 total cpu time spent up to now is 234.8 secs Computing kpt #: 235 total cpu time spent up to now is 235.7 secs Computing kpt #: 236 total cpu time spent up to now is 236.3 secs Computing kpt #: 237 total cpu time spent up to now is 236.9 secs Computing kpt #: 238 total cpu time spent up to now is 237.5 secs Computing kpt #: 239 total cpu time spent up to now is 238.1 secs Computing kpt #: 240 total cpu time spent up to now is 238.7 secs Computing kpt #: 241 total cpu time spent up to now is 239.3 secs Computing kpt #: 242 total cpu time spent up to now is 240.1 secs Computing kpt #: 243 total cpu time spent up to now is 240.9 secs Computing kpt #: 244 total cpu time spent up to now is 241.6 secs Computing kpt #: 245 total cpu time spent up to now is 242.2 secs Computing kpt #: 246 total cpu time spent up to now is 242.8 secs Computing kpt #: 247 total cpu time spent up to now is 243.4 secs Computing kpt #: 248 total cpu time spent up to now is 244.0 secs Computing kpt #: 249 total cpu time spent up to now is 244.6 secs Computing kpt #: 250 total cpu time spent up to now is 245.2 secs Computing kpt #: 251 total cpu time spent up to now is 246.0 secs Computing kpt #: 252 total cpu time spent up to now is 246.8 secs Computing kpt #: 253 total cpu time spent up to now is 247.4 secs Computing kpt #: 254 total cpu time spent up to now is 248.1 secs Computing kpt #: 255 total cpu time spent up to now is 248.8 secs Computing kpt #: 256 total cpu time spent up to now is 249.4 secs Computing kpt #: 257 total cpu time spent up to now is 250.1 secs Computing kpt #: 258 total cpu time spent up to now is 250.8 secs Computing kpt #: 259 total cpu time spent up to now is 251.5 secs Computing kpt #: 260 total cpu time spent up to now is 252.2 secs Computing kpt #: 261 total cpu time spent up to now is 253.0 secs Computing kpt #: 262 total cpu time spent up to now is 254.0 secs Computing kpt #: 263 total cpu time spent up to now is 254.7 secs Computing kpt #: 264 total cpu time spent up to now is 255.5 secs Computing kpt #: 265 total cpu time spent up to now is 256.2 secs Computing kpt #: 266 total cpu time spent up to now is 257.1 secs Computing kpt #: 267 total cpu time spent up to now is 257.9 secs Computing kpt #: 268 total cpu time spent up to now is 259.6 secs Computing kpt #: 269 total cpu time spent up to now is 260.6 secs Computing kpt #: 270 total cpu time spent up to now is 261.5 secs Computing kpt #: 271 total cpu time spent up to now is 262.6 secs Computing kpt #: 272 total cpu time spent up to now is 263.6 secs Computing kpt #: 273 total cpu time spent up to now is 264.8 secs Computing kpt #: 274 total cpu time spent up to now is 265.7 secs Computing kpt #: 275 total cpu time spent up to now is 266.6 secs Computing kpt #: 276 total cpu time spent up to now is 267.6 secs Computing kpt #: 277 total cpu time spent up to now is 268.5 secs Computing kpt #: 278 total cpu time spent up to now is 269.6 secs Computing kpt #: 279 total cpu time spent up to now is 270.6 secs Computing kpt #: 280 total cpu time spent up to now is 271.5 secs Computing kpt #: 281 total cpu time spent up to now is 272.3 secs Computing kpt #: 282 total cpu time spent up to now is 273.1 secs Computing kpt #: 283 total cpu time spent up to now is 273.9 secs Computing kpt #: 284 total cpu time spent up to now is 274.7 secs Computing kpt #: 285 total cpu time spent up to now is 275.7 secs Computing kpt #: 286 total cpu time spent up to now is 276.4 secs Computing kpt #: 287 total cpu time spent up to now is 277.2 secs Computing kpt #: 288 total cpu time spent up to now is 277.9 secs Computing kpt #: 289 total cpu time spent up to now is 278.7 secs Computing kpt #: 290 total cpu time spent up to now is 279.4 secs Computing kpt #: 291 total cpu time spent up to now is 280.5 secs Computing kpt #: 292 total cpu time spent up to now is 281.3 secs Computing kpt #: 293 total cpu time spent up to now is 282.1 secs Computing kpt #: 294 total cpu time spent up to now is 282.9 secs Computing kpt #: 295 total cpu time spent up to now is 283.6 secs Computing kpt #: 296 total cpu time spent up to now is 284.4 secs Computing kpt #: 297 total cpu time spent up to now is 285.1 secs Computing kpt #: 298 total cpu time spent up to now is 285.8 secs Computing kpt #: 299 total cpu time spent up to now is 286.6 secs Computing kpt #: 300 total cpu time spent up to now is 287.6 secs Computing kpt #: 301 total cpu time spent up to now is 288.5 secs Computing kpt #: 302 total cpu time spent up to now is 289.2 secs Computing kpt #: 303 total cpu time spent up to now is 289.9 secs Computing kpt #: 304 total cpu time spent up to now is 290.6 secs Computing kpt #: 305 total cpu time spent up to now is 291.4 secs Computing kpt #: 306 total cpu time spent up to now is 292.1 secs Computing kpt #: 307 total cpu time spent up to now is 292.8 secs Computing kpt #: 308 total cpu time spent up to now is 293.9 secs Computing kpt #: 309 total cpu time spent up to now is 294.8 secs Computing kpt #: 310 total cpu time spent up to now is 295.6 secs Computing kpt #: 311 total cpu time spent up to now is 296.3 secs Computing kpt #: 312 total cpu time spent up to now is 297.0 secs Computing kpt #: 313 total cpu time spent up to now is 297.9 secs Computing kpt #: 314 total cpu time spent up to now is 299.0 secs Computing kpt #: 315 total cpu time spent up to now is 299.8 secs Computing kpt #: 316 total cpu time spent up to now is 300.6 secs Computing kpt #: 317 total cpu time spent up to now is 301.2 secs Computing kpt #: 318 total cpu time spent up to now is 301.9 secs Computing kpt #: 319 total cpu time spent up to now is 302.6 secs Computing kpt #: 320 total cpu time spent up to now is 303.2 secs Computing kpt #: 321 total cpu time spent up to now is 304.2 secs Computing kpt #: 322 total cpu time spent up to now is 304.9 secs Computing kpt #: 323 total cpu time spent up to now is 305.6 secs Computing kpt #: 324 total cpu time spent up to now is 306.3 secs Computing kpt #: 325 total cpu time spent up to now is 307.1 secs Computing kpt #: 326 total cpu time spent up to now is 308.0 secs Computing kpt #: 327 total cpu time spent up to now is 309.1 secs Computing kpt #: 328 total cpu time spent up to now is 309.7 secs Computing kpt #: 329 total cpu time spent up to now is 310.4 secs Computing kpt #: 330 total cpu time spent up to now is 311.1 secs Computing kpt #: 331 total cpu time spent up to now is 312.0 secs Computing kpt #: 332 total cpu time spent up to now is 312.7 secs Computing kpt #: 333 total cpu time spent up to now is 313.5 secs Computing kpt #: 334 total cpu time spent up to now is 314.6 secs Computing kpt #: 335 total cpu time spent up to now is 315.3 secs Computing kpt #: 336 total cpu time spent up to now is 316.0 secs Computing kpt #: 337 total cpu time spent up to now is 316.7 secs Computing kpt #: 338 total cpu time spent up to now is 317.4 secs Computing kpt #: 339 total cpu time spent up to now is 318.2 secs Computing kpt #: 340 total cpu time spent up to now is 319.3 secs Computing kpt #: 341 total cpu time spent up to now is 320.2 secs Computing kpt #: 342 total cpu time spent up to now is 321.0 secs Computing kpt #: 343 total cpu time spent up to now is 321.8 secs Computing kpt #: 344 total cpu time spent up to now is 322.6 secs Computing kpt #: 345 total cpu time spent up to now is 323.5 secs Computing kpt #: 346 total cpu time spent up to now is 324.7 secs Computing kpt #: 347 total cpu time spent up to now is 325.6 secs Computing kpt #: 348 total cpu time spent up to now is 326.3 secs Computing kpt #: 349 total cpu time spent up to now is 327.1 secs Computing kpt #: 350 total cpu time spent up to now is 327.9 secs Computing kpt #: 351 total cpu time spent up to now is 328.6 secs Computing kpt #: 352 total cpu time spent up to now is 329.4 secs Computing kpt #: 353 total cpu time spent up to now is 330.4 secs Computing kpt #: 354 total cpu time spent up to now is 331.4 secs Computing kpt #: 355 total cpu time spent up to now is 332.2 secs Computing kpt #: 356 total cpu time spent up to now is 333.3 secs Computing kpt #: 357 total cpu time spent up to now is 333.9 secs Computing kpt #: 358 total cpu time spent up to now is 334.7 secs Computing kpt #: 359 total cpu time spent up to now is 335.4 secs Computing kpt #: 360 total cpu time spent up to now is 336.3 secs Computing kpt #: 361 total cpu time spent up to now is 337.2 secs Computing kpt #: 362 total cpu time spent up to now is 338.0 secs Computing kpt #: 363 total cpu time spent up to now is 338.7 secs Computing kpt #: 364 total cpu time spent up to now is 339.4 secs Computing kpt #: 365 total cpu time spent up to now is 340.1 secs Computing kpt #: 366 total cpu time spent up to now is 340.8 secs Computing kpt #: 367 total cpu time spent up to now is 341.4 secs Computing kpt #: 368 total cpu time spent up to now is 342.4 secs Computing kpt #: 369 total cpu time spent up to now is 343.2 secs Computing kpt #: 370 total cpu time spent up to now is 344.0 secs Computing kpt #: 371 total cpu time spent up to now is 344.8 secs Computing kpt #: 372 total cpu time spent up to now is 345.5 secs Computing kpt #: 373 total cpu time spent up to now is 346.3 secs Computing kpt #: 374 total cpu time spent up to now is 347.0 secs Computing kpt #: 375 total cpu time spent up to now is 347.8 secs Computing kpt #: 376 total cpu time spent up to now is 348.9 secs Computing kpt #: 377 total cpu time spent up to now is 349.7 secs Computing kpt #: 378 total cpu time spent up to now is 350.5 secs Computing kpt #: 379 total cpu time spent up to now is 351.3 secs Computing kpt #: 380 total cpu time spent up to now is 352.0 secs Computing kpt #: 381 total cpu time spent up to now is 352.8 secs Computing kpt #: 382 total cpu time spent up to now is 353.9 secs Computing kpt #: 383 total cpu time spent up to now is 354.6 secs Computing kpt #: 384 total cpu time spent up to now is 355.5 secs Computing kpt #: 385 total cpu time spent up to now is 356.3 secs Computing kpt #: 386 total cpu time spent up to now is 357.1 secs Computing kpt #: 387 total cpu time spent up to now is 357.9 secs Computing kpt #: 388 total cpu time spent up to now is 359.0 secs Computing kpt #: 389 total cpu time spent up to now is 360.0 secs Computing kpt #: 390 total cpu time spent up to now is 361.0 secs Computing kpt #: 391 total cpu time spent up to now is 362.0 secs Computing kpt #: 392 total cpu time spent up to now is 363.0 secs Computing kpt #: 393 total cpu time spent up to now is 364.1 secs Computing kpt #: 394 total cpu time spent up to now is 365.2 secs Computing kpt #: 395 total cpu time spent up to now is 366.1 secs Computing kpt #: 396 total cpu time spent up to now is 367.1 secs Computing kpt #: 397 total cpu time spent up to now is 367.9 secs Computing kpt #: 398 total cpu time spent up to now is 369.2 secs Computing kpt #: 399 total cpu time spent up to now is 370.0 secs Computing kpt #: 400 total cpu time spent up to now is 370.8 secs Computing kpt #: 401 total cpu time spent up to now is 371.5 secs Computing kpt #: 402 total cpu time spent up to now is 372.4 secs Computing kpt #: 403 total cpu time spent up to now is 373.3 secs Computing kpt #: 404 total cpu time spent up to now is 374.3 secs Computing kpt #: 405 total cpu time spent up to now is 375.1 secs Computing kpt #: 406 total cpu time spent up to now is 375.9 secs Computing kpt #: 407 total cpu time spent up to now is 376.6 secs Computing kpt #: 408 total cpu time spent up to now is 377.4 secs Computing kpt #: 409 total cpu time spent up to now is 378.2 secs Computing kpt #: 410 total cpu time spent up to now is 378.8 secs Computing kpt #: 411 total cpu time spent up to now is 379.7 secs Computing kpt #: 412 total cpu time spent up to now is 380.4 secs Computing kpt #: 413 total cpu time spent up to now is 381.0 secs Computing kpt #: 414 total cpu time spent up to now is 381.8 secs Computing kpt #: 415 total cpu time spent up to now is 382.4 secs Computing kpt #: 416 total cpu time spent up to now is 383.1 secs Computing kpt #: 417 total cpu time spent up to now is 383.8 secs Computing kpt #: 418 total cpu time spent up to now is 384.5 secs Computing kpt #: 419 total cpu time spent up to now is 385.3 secs Computing kpt #: 420 total cpu time spent up to now is 386.1 secs Computing kpt #: 421 total cpu time spent up to now is 387.1 secs Computing kpt #: 422 total cpu time spent up to now is 387.9 secs Computing kpt #: 423 total cpu time spent up to now is 388.6 secs Computing kpt #: 424 total cpu time spent up to now is 389.3 secs Computing kpt #: 425 total cpu time spent up to now is 390.2 secs Computing kpt #: 426 total cpu time spent up to now is 391.0 secs Computing kpt #: 427 total cpu time spent up to now is 391.9 secs Computing kpt #: 428 total cpu time spent up to now is 392.8 secs Computing kpt #: 429 total cpu time spent up to now is 393.7 secs Computing kpt #: 430 total cpu time spent up to now is 394.5 secs Computing kpt #: 431 total cpu time spent up to now is 395.2 secs Computing kpt #: 432 total cpu time spent up to now is 395.9 secs Computing kpt #: 433 total cpu time spent up to now is 396.7 secs Computing kpt #: 434 total cpu time spent up to now is 397.4 secs Computing kpt #: 435 total cpu time spent up to now is 398.2 secs Computing kpt #: 436 total cpu time spent up to now is 399.3 secs Computing kpt #: 437 total cpu time spent up to now is 400.0 secs Computing kpt #: 438 total cpu time spent up to now is 400.8 secs Computing kpt #: 439 total cpu time spent up to now is 401.5 secs Computing kpt #: 440 total cpu time spent up to now is 402.4 secs Computing kpt #: 441 total cpu time spent up to now is 403.2 secs Computing kpt #: 442 total cpu time spent up to now is 403.9 secs Computing kpt #: 443 total cpu time spent up to now is 404.9 secs Computing kpt #: 444 total cpu time spent up to now is 405.6 secs Computing kpt #: 445 total cpu time spent up to now is 406.3 secs Computing kpt #: 446 total cpu time spent up to now is 407.0 secs Computing kpt #: 447 total cpu time spent up to now is 407.8 secs Computing kpt #: 448 total cpu time spent up to now is 408.9 secs Computing kpt #: 449 total cpu time spent up to now is 410.3 secs ethr = 3.85E-11, avg # of iterations = 26.6 total cpu time spent up to now is 410.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3477 PWs) bands (ev): -47.9550 -47.9550 -23.0209 -23.0209 -20.0042 -20.0042 -19.8372 -19.8372 -19.8067 -19.8067 -18.3107 -18.3107 -7.8627 -7.8627 -4.9838 -4.9838 -4.5889 -4.5889 -4.5762 -4.5762 -0.4115 -0.4115 0.4339 0.4339 1.5309 1.5309 4.9648 4.9648 7.5917 7.5917 12.5161 12.5161 13.7239 13.7239 k =-0.0058 0.0051 0.0113 ( 3485 PWs) bands (ev): -47.9550 -47.9550 -23.0209 -23.0208 -20.0043 -20.0042 -19.8373 -19.8372 -19.8069 -19.8067 -18.3107 -18.3107 -7.8626 -7.8626 -4.9837 -4.9837 -4.6005 -4.5887 -4.5772 -4.5653 -0.4120 -0.4119 0.4340 0.4341 1.5314 1.5314 4.9640 4.9642 7.5933 7.5935 12.5160 12.5161 13.7259 13.7259 k =-0.0116 0.0102 0.0226 ( 3491 PWs) bands (ev): -47.9550 -47.9550 -23.0207 -23.0207 -20.0044 -20.0042 -19.8373 -19.8372 -19.8071 -19.8066 -18.3109 -18.3109 -7.8625 -7.8625 -4.9834 -4.9834 -4.6129 -4.6010 -4.5670 -4.5549 -0.4132 -0.4131 0.4344 0.4346 1.5327 1.5329 4.9617 4.9620 7.5985 7.5989 12.5159 12.5160 13.7318 13.7318 k =-0.0174 0.0152 0.0338 ( 3487 PWs) bands (ev): -47.9550 -47.9550 -23.0205 -23.0205 -20.0044 -20.0040 -19.8373 -19.8370 -19.8072 -19.8066 -18.3111 -18.3111 -7.8623 -7.8623 -4.9828 -4.9828 -4.6259 -4.6141 -4.5572 -4.5451 -0.4153 -0.4151 0.4352 0.4355 1.5351 1.5353 4.9580 4.9585 7.6071 7.6077 12.5156 12.5157 13.7415 13.7415 k =-0.0232 0.0203 0.0451 ( 3481 PWs) bands (ev): -47.9549 -47.9549 -23.0202 -23.0202 -20.0044 -20.0039 -19.8373 -19.8369 -19.8073 -19.8065 -18.3114 -18.3114 -7.8620 -7.8620 -4.9820 -4.9820 -4.6397 -4.6279 -4.5479 -4.5359 -0.4181 -0.4179 0.4364 0.4367 1.5383 1.5387 4.9529 4.9535 7.6192 7.6200 12.5151 12.5153 13.7550 13.7550 k =-0.0291 0.0254 0.0564 ( 3485 PWs) bands (ev): -47.9549 -47.9549 -23.0198 -23.0198 -20.0044 -20.0038 -19.8372 -19.8367 -19.8076 -19.8065 -18.3118 -18.3118 -7.8617 -7.8616 -4.9809 -4.9809 -4.6541 -4.6425 -4.5392 -4.5272 -0.4217 -0.4214 0.4378 0.4382 1.5425 1.5429 4.9464 4.9472 7.6347 7.6357 12.5145 12.5148 13.7722 13.7722 k =-0.0349 0.0305 0.0677 ( 3489 PWs) bands (ev): -47.9549 -47.9549 -23.0193 -23.0193 -20.0043 -20.0037 -19.8371 -19.8366 -19.8078 -19.8066 -18.3123 -18.3123 -7.8612 -7.8612 -4.9797 -4.9797 -4.6692 -4.6578 -4.5311 -4.5192 -0.4261 -0.4258 0.4396 0.4400 1.5475 1.5481 4.9386 4.9395 7.6536 7.6547 12.5137 12.5140 13.7929 13.7929 k =-0.0407 0.0355 0.0790 ( 3485 PWs) bands (ev): -47.9549 -47.9549 -23.0187 -23.0187 -20.0043 -20.0035 -19.8370 -19.8364 -19.8080 -19.8066 -18.3129 -18.3129 -7.8607 -7.8607 -4.9782 -4.9782 -4.6850 -4.6737 -4.5234 -4.5116 -0.4312 -0.4308 0.4417 0.4422 1.5534 1.5540 4.9296 4.9306 7.6758 7.6771 12.5127 12.5130 13.8168 13.8168 k =-0.0465 0.0406 0.0902 ( 3485 PWs) bands (ev): -47.9549 -47.9549 -23.0181 -23.0181 -20.0042 -20.0033 -19.8369 -19.8362 -19.8083 -19.8066 -18.3136 -18.3136 -7.8602 -7.8601 -4.9765 -4.9765 -4.7014 -4.6903 -4.5163 -4.5045 -0.4369 -0.4365 0.4442 0.4447 1.5602 1.5609 4.9194 4.9205 7.7013 7.7027 12.5113 12.5117 13.8437 13.8437 k =-0.0523 0.0457 0.1015 ( 3487 PWs) bands (ev): -47.9549 -47.9549 -23.0174 -23.0173 -20.0042 -20.0032 -19.8368 -19.8360 -19.8085 -19.8067 -18.3143 -18.3143 -7.8596 -7.8595 -4.9745 -4.9745 -4.7185 -4.7075 -4.5096 -4.4979 -0.4434 -0.4429 0.4469 0.4476 1.5677 1.5684 4.9081 4.9094 7.7299 7.7315 12.5096 12.5100 13.8730 13.8730 k =-0.0581 0.0508 0.1128 ( 3491 PWs) bands (ev): -47.9549 -47.9549 -23.0166 -23.0165 -20.0041 -20.0030 -19.8366 -19.8357 -19.8088 -19.8068 -18.3152 -18.3152 -7.8590 -7.8589 -4.9724 -4.9724 -4.7361 -4.7253 -4.5033 -4.4918 -0.4504 -0.4498 0.4500 0.4507 1.5759 1.5767 4.8959 4.8972 7.7617 7.7634 12.5074 12.5078 13.9041 13.9042 k =-0.0639 0.0558 0.1241 ( 3489 PWs) bands (ev): -47.9548 -47.9548 -23.0157 -23.0156 -20.0040 -20.0028 -19.8364 -19.8355 -19.8091 -19.8069 -18.3161 -18.3161 -7.8583 -7.8582 -4.9701 -4.9700 -4.7542 -4.7436 -4.4974 -4.4860 -0.4580 -0.4573 0.4534 0.4541 1.5848 1.5856 4.8828 4.8843 7.7964 7.7983 12.5047 12.5052 13.9360 13.9361 k =-0.0697 0.0609 0.1353 ( 3489 PWs) bands (ev): -47.9548 -47.9548 -23.0147 -23.0147 -20.0039 -20.0026 -19.8362 -19.8352 -19.8094 -19.8070 -18.3171 -18.3171 -7.8576 -7.8575 -4.9675 -4.9675 -4.7728 -4.7625 -4.4919 -4.4807 -0.4660 -0.4653 0.4570 0.4579 1.5943 1.5952 4.8689 4.8705 7.8341 7.8361 12.5014 12.5019 13.9672 13.9672 k =-0.0755 0.0660 0.1466 ( 3475 PWs) bands (ev): -47.9547 -47.9547 -23.0137 -23.0137 -20.0038 -20.0023 -19.8360 -19.8349 -19.8096 -19.8071 -18.3181 -18.3181 -7.8569 -7.8568 -4.9648 -4.9648 -4.7919 -4.7817 -4.4867 -4.4757 -0.4745 -0.4738 0.4611 0.4619 1.6044 1.6053 4.8545 4.8561 7.8747 7.8768 12.4974 12.4980 13.9952 13.9952 k =-0.0813 0.0711 0.1579 ( 3475 PWs) bands (ev): -47.9547 -47.9547 -23.0126 -23.0126 -20.0037 -20.0021 -19.8357 -19.8346 -19.8099 -19.8072 -18.3192 -18.3192 -7.8562 -7.8561 -4.9619 -4.9619 -4.8113 -4.8014 -4.4819 -4.4711 -0.4834 -0.4826 0.4653 0.4663 1.6150 1.6160 4.8394 4.8411 7.9180 7.9201 12.4926 12.4933 14.0162 14.0164 k =-0.0872 0.0761 0.1692 ( 3471 PWs) bands (ev): -47.9547 -47.9547 -23.0115 -23.0114 -20.0036 -20.0019 -19.8355 -19.8343 -19.8102 -19.8074 -18.3204 -18.3204 -7.8555 -7.8554 -4.9589 -4.9588 -4.8310 -4.8214 -4.4774 -4.4667 -0.4926 -0.4918 0.4699 0.4709 1.6260 1.6270 4.8239 4.8257 7.9639 7.9662 12.4870 12.4878 14.0247 14.0252 k =-0.0930 0.0812 0.1805 ( 3471 PWs) bands (ev): -47.9546 -47.9546 -23.0103 -23.0102 -20.0035 -20.0017 -19.8353 -19.8340 -19.8105 -19.8075 -18.3216 -18.3216 -7.8549 -7.8548 -4.9557 -4.9556 -4.8510 -4.8416 -4.4733 -4.4627 -0.5021 -0.5013 0.4748 0.4758 1.6374 1.6385 4.8080 4.8099 8.0124 8.0147 12.4804 12.4813 14.0147 14.0154 k =-0.0988 0.0863 0.1917 ( 3477 PWs) bands (ev): -47.9546 -47.9546 -23.0090 -23.0090 -20.0035 -20.0015 -19.8351 -19.8338 -19.8108 -19.8077 -18.3229 -18.3229 -7.8543 -7.8542 -4.9523 -4.9523 -4.8712 -4.8620 -4.4694 -4.4591 -0.5119 -0.5109 0.4799 0.4810 1.6492 1.6503 4.7920 4.7939 8.0634 8.0657 12.4728 12.4737 13.9822 13.9832 k =-0.1046 0.0914 0.2030 ( 3469 PWs) bands (ev): -47.9546 -47.9546 -23.0077 -23.0077 -20.0033 -20.0013 -19.8348 -19.8335 -19.8111 -19.8078 -18.3243 -18.3243 -7.8537 -7.8536 -4.9489 -4.9488 -4.8915 -4.8825 -4.4658 -4.4556 -0.5217 -0.5207 0.4853 0.4865 1.6613 1.6624 4.7758 4.7778 8.1167 8.1190 12.4639 12.4649 13.9283 13.9298 k =-0.1104 0.0964 0.2143 ( 3475 PWs) bands (ev): -47.9545 -47.9545 -23.0064 -23.0063 -20.0033 -20.0011 -19.8346 -19.8333 -19.8114 -19.8080 -18.3257 -18.3257 -7.8532 -7.8531 -4.9453 -4.9451 -4.9117 -4.9031 -4.4625 -4.4525 -0.5317 -0.5307 0.4910 0.4922 1.6736 1.6747 4.7596 4.7617 8.1722 8.1745 12.4538 12.4549 13.8584 13.8602 k =-0.1162 0.1015 0.2256 ( 3479 PWs) bands (ev): -47.9545 -47.9545 -23.0050 -23.0049 -20.0032 -20.0010 -19.8344 -19.8331 -19.8117 -19.8082 -18.3271 -18.3271 -7.8528 -7.8527 -4.9422 -4.9414 -4.9314 -4.9237 -4.4595 -4.4497 -0.5417 -0.5406 0.4969 0.4982 1.6861 1.6872 4.7436 4.7457 8.2298 8.2322 12.4423 12.4436 13.7780 13.7802 k =-0.1220 0.1066 0.2369 ( 3483 PWs) bands (ev): -47.9545 -47.9545 -23.0036 -23.0035 -20.0032 -20.0008 -19.8342 -19.8329 -19.8120 -19.8084 -18.3286 -18.3285 -7.8526 -7.8525 -4.9531 -4.9442 -4.9374 -4.9369 -4.4567 -4.4471 -0.5516 -0.5505 0.5031 0.5044 1.6987 1.6998 4.7278 4.7299 8.2895 8.2919 12.4294 12.4307 13.6915 13.6939 k =-0.1278 0.1117 0.2481 ( 3489 PWs) bands (ev): -47.9544 -47.9544 -23.0022 -23.0021 -20.0032 -20.0007 -19.8340 -19.8327 -19.8122 -19.8086 -18.3301 -18.3301 -7.8524 -7.8523 -4.9728 -4.9644 -4.9335 -4.9332 -4.4542 -4.4448 -0.5615 -0.5603 0.5095 0.5109 1.7113 1.7124 4.7123 4.7144 8.3510 8.3534 12.4149 12.4164 13.6016 13.6043 k =-0.1336 0.1167 0.2594 ( 3493 PWs) bands (ev): -47.9544 -47.9544 -23.0007 -23.0006 -20.0032 -20.0006 -19.8338 -19.8326 -19.8124 -19.8087 -18.3316 -18.3316 -7.8524 -7.8523 -4.9925 -4.9843 -4.9295 -4.9293 -4.4519 -4.4427 -0.5711 -0.5699 0.5161 0.5175 1.7240 1.7251 4.6973 4.6994 8.4144 8.4168 12.3987 12.4003 13.5101 13.5131 k =-0.1395 0.1218 0.2707 ( 3493 PWs) bands (ev): -47.9544 -47.9544 -22.9992 -22.9991 -20.0032 -20.0005 -19.8336 -19.8324 -19.8127 -19.8089 -18.3331 -18.3331 -7.8524 -7.8524 -5.0119 -5.0040 -4.9253 -4.9251 -4.4499 -4.4409 -0.5805 -0.5793 0.5230 0.5245 1.7367 1.7378 4.6827 4.6849 8.4795 8.4818 12.3809 12.3826 13.4183 13.4215 k =-0.1453 0.1269 0.2820 ( 3487 PWs) bands (ev): -47.9543 -47.9543 -22.9977 -22.9976 -20.0031 -20.0004 -19.8334 -19.8323 -19.8128 -19.8090 -18.3347 -18.3347 -7.8527 -7.8526 -5.0308 -5.0232 -4.9211 -4.9209 -4.4481 -4.4393 -0.5896 -0.5884 0.5301 0.5316 1.7493 1.7504 4.6688 4.6710 8.5461 8.5484 12.3612 12.3632 13.3268 13.3303 k =-0.1511 0.1320 0.2933 ( 3497 PWs) bands (ev): -47.9543 -47.9543 -22.9962 -22.9961 -20.0032 -20.0003 -19.8333 -19.8323 -19.8130 -19.8092 -18.3363 -18.3363 -7.8531 -7.8531 -5.0494 -5.0419 -4.9169 -4.9167 -4.4466 -4.4380 -0.5984 -0.5971 0.5373 0.5389 1.7618 1.7628 4.6556 4.6578 8.6142 8.6165 12.3398 12.3419 13.2363 13.2400 k =-0.1569 0.1370 0.3045 ( 3493 PWs) bands (ev): -47.9543 -47.9543 -22.9946 -22.9945 -20.0032 -20.0003 -19.8332 -19.8322 -19.8132 -19.8093 -18.3378 -18.3378 -7.8537 -7.8537 -5.0673 -5.0601 -4.9126 -4.9124 -4.4454 -4.4369 -0.6067 -0.6054 0.5448 0.5464 1.7741 1.7751 4.6431 4.6453 8.6837 8.6859 12.3165 12.3187 13.1470 13.1509 k =-0.1627 0.1421 0.3158 ( 3485 PWs) bands (ev): -47.9542 -47.9542 -22.9931 -22.9930 -20.0032 -20.0002 -19.8331 -19.8321 -19.8133 -19.8094 -18.3394 -18.3394 -7.8545 -7.8545 -5.0846 -5.0776 -4.9082 -4.9080 -4.4444 -4.4361 -0.6146 -0.6132 0.5525 0.5541 1.7863 1.7872 4.6316 4.6338 8.7543 8.7565 12.2913 12.2938 13.0592 13.0633 k =-0.1685 0.1472 0.3271 ( 3489 PWs) bands (ev): -47.9542 -47.9542 -22.9916 -22.9915 -20.0033 -20.0002 -19.8330 -19.8321 -19.8134 -19.8095 -18.3410 -18.3410 -7.8556 -7.8556 -5.1013 -5.0944 -4.9039 -4.9037 -4.4436 -4.4355 -0.6220 -0.6205 0.5603 0.5619 1.7982 1.7991 4.6210 4.6232 8.8261 8.8282 12.2644 12.2670 12.9731 12.9774 k =-0.1743 0.1523 0.3384 ( 3489 PWs) bands (ev): -47.9542 -47.9542 -22.9901 -22.9899 -20.0033 -20.0002 -19.8330 -19.8322 -19.8135 -19.8097 -18.3425 -18.3425 -7.8568 -7.8568 -5.1172 -5.1105 -4.8995 -4.8993 -4.4431 -4.4352 -0.6287 -0.6272 0.5682 0.5699 1.8099 1.8107 4.6114 4.6136 8.8988 8.9009 12.2357 12.2384 12.8887 12.8932 k =-0.1801 0.1573 0.3496 ( 3489 PWs) bands (ev): -47.9541 -47.9541 -22.9886 -22.9884 -20.0034 -20.0002 -19.8330 -19.8322 -19.8137 -19.8098 -18.3441 -18.3441 -7.8583 -7.8583 -5.1323 -5.1258 -4.8951 -4.8949 -4.4429 -4.4351 -0.6349 -0.6333 0.5764 0.5781 1.8212 1.8220 4.6028 4.6050 8.9724 8.9744 12.2052 12.2082 12.8061 12.8108 k =-0.1859 0.1624 0.3609 ( 3485 PWs) bands (ev): -47.9541 -47.9541 -22.9871 -22.9869 -20.0035 -20.0002 -19.8330 -19.8323 -19.8137 -19.8099 -18.3456 -18.3456 -7.8601 -7.8600 -5.1465 -5.1401 -4.8907 -4.8905 -4.4429 -4.4353 -0.6403 -0.6387 0.5846 0.5864 1.8323 1.8330 4.5954 4.5976 9.0467 9.0486 12.1732 12.1763 12.7253 12.7301 k =-0.1918 0.1675 0.3722 ( 3485 PWs) bands (ev): -47.9541 -47.9541 -22.9856 -22.9855 -20.0036 -20.0003 -19.8331 -19.8325 -19.8138 -19.8100 -18.3471 -18.3471 -7.8621 -7.8620 -5.1598 -5.1536 -4.8864 -4.8862 -4.4432 -4.4357 -0.6451 -0.6435 0.5930 0.5947 1.8431 1.8437 4.5891 4.5914 9.1216 9.1233 12.1396 12.1429 12.6463 12.6512 k =-0.1976 0.1726 0.3835 ( 3485 PWs) bands (ev): -47.9540 -47.9540 -22.9842 -22.9840 -20.0038 -20.0004 -19.8332 -19.8326 -19.8139 -19.8101 -18.3485 -18.3485 -7.8643 -7.8643 -5.1721 -5.1661 -4.8821 -4.8819 -4.4437 -4.4365 -0.6492 -0.6475 0.6014 0.6032 1.8535 1.8541 4.5841 4.5864 9.1968 9.1985 12.1047 12.1081 12.5690 12.5740 k =-0.2034 0.1776 0.3948 ( 3479 PWs) bands (ev): -47.9540 -47.9540 -22.9827 -22.9826 -20.0039 -20.0004 -19.8333 -19.8328 -19.8140 -19.8102 -18.3500 -18.3500 -7.8669 -7.8668 -5.1834 -5.1775 -4.8778 -4.8776 -4.4445 -4.4374 -0.6524 -0.6507 0.6100 0.6118 1.8635 1.8640 4.5804 4.5826 9.2724 9.2740 12.0687 12.0722 12.4933 12.4984 k =-0.2092 0.1827 0.4060 ( 3483 PWs) bands (ev): -47.9540 -47.9540 -22.9814 -22.9812 -20.0041 -20.0006 -19.8334 -19.8330 -19.8141 -19.8103 -18.3514 -18.3514 -7.8697 -7.8696 -5.1936 -5.1879 -4.8736 -4.8733 -4.4456 -4.4387 -0.6548 -0.6531 0.6186 0.6205 1.8732 1.8736 4.5780 4.5802 9.3480 9.3495 12.0317 12.0353 12.4191 12.4243 k =-0.2150 0.1878 0.4173 ( 3483 PWs) bands (ev): -47.9540 -47.9540 -22.9800 -22.9799 -20.0043 -20.0007 -19.8336 -19.8332 -19.8143 -19.8105 -18.3527 -18.3527 -7.8728 -7.8726 -5.2028 -5.1973 -4.8694 -4.8691 -4.4470 -4.4401 -0.6564 -0.6547 0.6273 0.6293 1.8824 1.8828 4.5769 4.5791 9.4236 9.4250 11.9939 11.9975 12.3463 12.3515 k =-0.2208 0.1929 0.4286 ( 3483 PWs) bands (ev): -47.9539 -47.9539 -22.9787 -22.9786 -20.0045 -20.0009 -19.8339 -19.8335 -19.8144 -19.8106 -18.3540 -18.3540 -7.8761 -7.8760 -5.2109 -5.2055 -4.8653 -4.8650 -4.4486 -4.4419 -0.6571 -0.6553 0.6361 0.6380 1.8913 1.8915 4.5771 4.5793 9.4989 9.5002 11.9555 11.9592 12.2748 12.2800 k =-0.2266 0.1979 0.4399 ( 3491 PWs) bands (ev): -47.9539 -47.9539 -22.9774 -22.9773 -20.0047 -20.0011 -19.8342 -19.8338 -19.8146 -19.8108 -18.3553 -18.3553 -7.8798 -7.8796 -5.2178 -5.2125 -4.8612 -4.8609 -4.4504 -4.4439 -0.6570 -0.6551 0.6449 0.6469 1.8997 1.8999 4.5787 4.5809 9.5738 9.5749 11.9168 11.9205 12.2044 12.2097 k =-0.2324 0.2030 0.4512 ( 3491 PWs) bands (ev): -47.9539 -47.9539 -22.9762 -22.9761 -20.0050 -20.0014 -19.8345 -19.8341 -19.8148 -19.8109 -18.3565 -18.3565 -7.8837 -7.8835 -5.2235 -5.2184 -4.8573 -4.8570 -4.4525 -4.4462 -0.6559 -0.6540 0.6537 0.6557 1.9077 1.9078 4.5817 4.5839 9.6480 9.6490 11.8780 11.8817 12.1351 12.1403 k =-0.2382 0.2081 0.4624 ( 3495 PWs) bands (ev): -47.9539 -47.9539 -22.9750 -22.9749 -20.0052 -20.0016 -19.8348 -19.8344 -19.8150 -19.8111 -18.3576 -18.3576 -7.8880 -7.8877 -5.2281 -5.2231 -4.8534 -4.8531 -4.4549 -4.4487 -0.6539 -0.6520 0.6626 0.6646 1.9152 1.9153 4.5861 4.5883 9.7213 9.7221 11.8392 11.8429 12.0666 12.0718 k =-0.2440 0.2132 0.4737 ( 3503 PWs) bands (ev): -47.9539 -47.9539 -22.9739 -22.9738 -20.0055 -20.0019 -19.8352 -19.8348 -19.8152 -19.8113 -18.3588 -18.3587 -7.8925 -7.8922 -5.2315 -5.2266 -4.8496 -4.8493 -4.4575 -4.4514 -0.6511 -0.6491 0.6714 0.6734 1.9223 1.9224 4.5919 4.5941 9.7934 9.7941 11.8007 11.8044 11.9988 12.0041 k =-0.2499 0.2182 0.4850 ( 3503 PWs) bands (ev): -47.9539 -47.9539 -22.9728 -22.9727 -20.0058 -20.0022 -19.8356 -19.8351 -19.8154 -19.8115 -18.3598 -18.3598 -7.8972 -7.8970 -5.2336 -5.2289 -4.8459 -4.8456 -4.4604 -4.4544 -0.6472 -0.6452 0.6802 0.6823 1.9290 1.9291 4.5991 4.6013 9.8642 9.8647 11.7626 11.7663 11.9318 11.9370 k =-0.2557 0.2233 0.4963 ( 3499 PWs) bands (ev): -47.9539 -47.9539 -22.9718 -22.9716 -20.0061 -20.0025 -19.8360 -19.8355 -19.8156 -19.8117 -18.3608 -18.3608 -7.9023 -7.9020 -5.2345 -5.2299 -4.8423 -4.8420 -4.4635 -4.4577 -0.6425 -0.6404 0.6890 0.6911 1.9352 1.9354 4.6077 4.6099 9.9332 9.9336 11.7251 11.7288 11.8652 11.8704 k =-0.2615 0.2284 0.5076 ( 3499 PWs) bands (ev): -47.9539 -47.9539 -22.9708 -22.9707 -20.0064 -20.0028 -19.8365 -19.8359 -19.8158 -19.8118 -18.3617 -18.3617 -7.9076 -7.9072 -5.2343 -5.2298 -4.8388 -4.8385 -4.4668 -4.4611 -0.6368 -0.6348 0.6977 0.6999 1.9410 1.9412 4.6177 4.6198 10.0002 10.0004 11.6884 11.6920 11.7991 11.8043 k =-0.2673 0.2335 0.5188 ( 3501 PWs) bands (ev): -47.9539 -47.9539 -22.9699 -22.9697 -20.0068 -20.0032 -19.8370 -19.8363 -19.8161 -19.8120 -18.3625 -18.3625 -7.9131 -7.9128 -5.2328 -5.2284 -4.8354 -4.8350 -4.4704 -4.4648 -0.6303 -0.6282 0.7065 0.7086 1.9463 1.9467 4.6290 4.6311 10.0649 10.0649 11.6524 11.6561 11.7334 11.7387 k =-0.2731 0.2385 0.5301 ( 3489 PWs) bands (ev): -47.9539 -47.9539 -22.9691 -22.9689 -20.0070 -20.0035 -19.8375 -19.8367 -19.8162 -19.8121 -18.3633 -18.3633 -7.9189 -7.9185 -5.2301 -5.2258 -4.8321 -4.8317 -4.4741 -4.4687 -0.6228 -0.6207 0.7151 0.7173 1.9513 1.9517 4.6416 4.6437 10.1268 10.1269 11.6171 11.6210 11.6682 11.6736 k =-0.2789 0.2436 0.5414 ( 3483 PWs) bands (ev): -47.9539 -47.9539 -22.9682 -22.9681 -20.0074 -20.0039 -19.8380 -19.8372 -19.8164 -19.8123 -18.3640 -18.3640 -7.9249 -7.9245 -5.2263 -5.2221 -4.8289 -4.8285 -4.4781 -4.4728 -0.6145 -0.6123 0.7237 0.7259 1.9559 1.9563 4.6556 4.6576 10.1855 10.1859 11.5814 11.5857 11.6043 11.6102 k =-0.2847 0.2487 0.5527 ( 3471 PWs) bands (ev): -47.9539 -47.9539 -22.9675 -22.9673 -20.0077 -20.0043 -19.8386 -19.8377 -19.8166 -19.8124 -18.3647 -18.3647 -7.9312 -7.9307 -5.2213 -5.2172 -4.8258 -4.8254 -4.4822 -4.4770 -0.6053 -0.6031 0.7322 0.7344 1.9601 1.9606 4.6708 4.6728 10.2409 10.2414 11.5351 11.5356 11.5572 11.5582 k =-0.2905 0.2538 0.5640 ( 3469 PWs) bands (ev): -47.9539 -47.9539 -22.9668 -22.9666 -20.0081 -20.0047 -19.8392 -19.8382 -19.8167 -19.8125 -18.3653 -18.3653 -7.9376 -7.9372 -5.2152 -5.2112 -4.8229 -4.8225 -4.4865 -4.4815 -0.5953 -0.5931 0.7405 0.7427 1.9639 1.9644 4.6871 4.6891 10.2924 10.2931 11.4711 11.4739 11.5233 11.5246 k =-0.2963 0.2588 0.5752 ( 3461 PWs) bands (ev): -47.9539 -47.9539 -22.9661 -22.9660 -20.0085 -20.0052 -19.8399 -19.8387 -19.8169 -19.8126 -18.3658 -18.3658 -7.9442 -7.9437 -5.2080 -5.2042 -4.8200 -4.8196 -4.4910 -4.4861 -0.5845 -0.5823 0.7488 0.7510 1.9673 1.9679 4.7047 4.7067 10.3398 10.3407 11.4063 11.4096 11.4923 11.4940 k =-0.3022 0.2639 0.5865 ( 3471 PWs) bands (ev): -47.9539 -47.9539 -22.9656 -22.9654 -20.0090 -20.0057 -19.8406 -19.8394 -19.8171 -19.8128 -18.3663 -18.3663 -7.9510 -7.9505 -5.1999 -5.1962 -4.8173 -4.8169 -4.4957 -4.4909 -0.5730 -0.5708 0.7569 0.7591 1.9703 1.9710 4.7234 4.7253 10.3826 10.3837 11.3414 11.3448 11.4629 11.4647 k =-0.3080 0.2690 0.5978 ( 3475 PWs) bands (ev): -47.9539 -47.9539 -22.9650 -22.9649 -20.0095 -20.0063 -19.8414 -19.8401 -19.8172 -19.8129 -18.3667 -18.3667 -7.9579 -7.9574 -5.1907 -5.1871 -4.8147 -4.8143 -4.5006 -4.4959 -0.5608 -0.5585 0.7649 0.7671 1.9730 1.9738 4.7431 4.7450 10.4205 10.4218 11.2764 11.2798 11.4348 11.4366 k =-0.3138 0.2741 0.6091 ( 3479 PWs) bands (ev): -47.9539 -47.9539 -22.9646 -22.9644 -20.0100 -20.0068 -19.8422 -19.8408 -19.8173 -19.8130 -18.3671 -18.3671 -7.9650 -7.9645 -5.1806 -5.1771 -4.8122 -4.8118 -4.5055 -4.5010 -0.5479 -0.5457 0.7727 0.7749 1.9754 1.9762 4.7638 4.7657 10.4534 10.4549 11.2113 11.2146 11.4078 11.4095 k =-0.3196 0.2791 0.6203 ( 3475 PWs) bands (ev): -47.9540 -47.9540 -22.9641 -22.9640 -20.0105 -20.0074 -19.8429 -19.8414 -19.8174 -19.8131 -18.3674 -18.3674 -7.9721 -7.9716 -5.1695 -5.1661 -4.8099 -4.8094 -4.5106 -4.5061 -0.5344 -0.5321 0.7804 0.7826 1.9774 1.9783 4.7854 4.7873 10.4810 10.4826 11.1462 11.1494 11.3818 11.3834 k =-0.3254 0.2842 0.6316 ( 3473 PWs) bands (ev): -47.9540 -47.9540 -22.9638 -22.9636 -20.0110 -20.0080 -19.8437 -19.8422 -19.8174 -19.8132 -18.3676 -18.3676 -7.9794 -7.9789 -5.1577 -5.1543 -4.8076 -4.8072 -4.5157 -4.5114 -0.5203 -0.5180 0.7879 0.7901 1.9792 1.9800 4.8080 4.8097 10.5031 10.5048 11.0810 11.0841 11.3567 11.3582 k =-0.3312 0.2893 0.6429 ( 3473 PWs) bands (ev): -47.9540 -47.9540 -22.9634 -22.9633 -20.0115 -20.0086 -19.8445 -19.8429 -19.8175 -19.8132 -18.3678 -18.3678 -7.9867 -7.9862 -5.1450 -5.1418 -4.8054 -4.8050 -4.5210 -4.5168 -0.5056 -0.5033 0.7952 0.7974 1.9806 1.9815 4.8312 4.8330 10.5196 10.5215 11.0159 11.0188 11.3323 11.3338 k =-0.3370 0.2944 0.6542 ( 3477 PWs) bands (ev): -47.9540 -47.9540 -22.9632 -22.9630 -20.0121 -20.0093 -19.8453 -19.8437 -19.8175 -19.8133 -18.3680 -18.3680 -7.9940 -7.9935 -5.1316 -5.1285 -4.8034 -4.8030 -4.5263 -4.5222 -0.4905 -0.4883 0.8023 0.8045 1.9818 1.9827 4.8552 4.8569 10.5306 10.5326 10.9508 10.9536 11.3086 11.3100 k =-0.3428 0.2994 0.6655 ( 3473 PWs) bands (ev): -47.9540 -47.9540 -22.9629 -22.9627 -20.0126 -20.0099 -19.8461 -19.8444 -19.8174 -19.8133 -18.3681 -18.3681 -8.0014 -8.0009 -5.1176 -5.1145 -4.8014 -4.8010 -4.5316 -4.5277 -0.4750 -0.4727 0.8092 0.8115 1.9827 1.9836 4.8797 4.8814 10.5361 10.5381 10.8861 10.8887 11.2855 11.2868 k =-0.3486 0.3045 0.6767 ( 3469 PWs) bands (ev): -47.9541 -47.9541 -22.9627 -22.9625 -20.0132 -20.0106 -19.8469 -19.8452 -19.8174 -19.8133 -18.3681 -18.3681 -8.0088 -8.0082 -5.1030 -5.1000 -4.7996 -4.7992 -4.5370 -4.5331 -0.4592 -0.4569 0.8160 0.8182 1.9833 1.9843 4.9048 4.9064 10.5359 10.5378 10.8222 10.8245 11.2629 11.2642 k =-0.3545 0.3096 0.6880 ( 3469 PWs) bands (ev): -47.9541 -47.9541 -22.9626 -22.9624 -20.0138 -20.0113 -19.8477 -19.8460 -19.8173 -19.8133 -18.3681 -18.3681 -8.0161 -8.0155 -5.0879 -5.0850 -4.7978 -4.7974 -4.5424 -4.5386 -0.4430 -0.4408 0.8225 0.8247 1.9838 1.9847 4.9303 4.9319 10.5299 10.5316 10.7596 10.7616 11.2408 11.2420 k =-0.3545 0.3096 0.6880 ( 3469 PWs) bands (ev): -47.9541 -47.9541 -22.9626 -22.9624 -20.0138 -20.0113 -19.8477 -19.8460 -19.8173 -19.8133 -18.3681 -18.3681 -8.0161 -8.0155 -5.0879 -5.0850 -4.7978 -4.7974 -4.5424 -4.5386 -0.4430 -0.4408 0.8225 0.8247 1.9838 1.9847 4.9303 4.9319 10.5299 10.5316 10.7596 10.7616 11.2408 11.2420 k =-0.3478 0.3038 0.6941 ( 3471 PWs) bands (ev): -47.9541 -47.9541 -22.9626 -22.9624 -20.0138 -20.0113 -19.8477 -19.8460 -19.8173 -19.8133 -18.3681 -18.3681 -8.0157 -8.0152 -5.0879 -5.0850 -4.7982 -4.7978 -4.5421 -4.5384 -0.4434 -0.4411 0.8215 0.8238 1.9840 1.9850 4.9305 4.9320 10.5283 10.5301 10.7599 10.7620 11.2413 11.2425 k =-0.3411 0.2979 0.7002 ( 3469 PWs) bands (ev): -47.9541 -47.9541 -22.9626 -22.9624 -20.0138 -20.0113 -19.8477 -19.8460 -19.8173 -19.8133 -18.3681 -18.3681 -8.0147 -8.0141 -5.0878 -5.0849 -4.7994 -4.7989 -4.5414 -4.5377 -0.4444 -0.4421 0.8188 0.8211 1.9848 1.9860 4.9309 4.9325 10.5237 10.5255 10.7609 10.7631 11.2428 11.2440 k =-0.3344 0.2921 0.7062 ( 3473 PWs) bands (ev): -47.9541 -47.9541 -22.9626 -22.9624 -20.0139 -20.0113 -19.8478 -19.8460 -19.8173 -19.8133 -18.3681 -18.3681 -8.0129 -8.0124 -5.0876 -5.0847 -4.8013 -4.8008 -4.5403 -4.5365 -0.4461 -0.4438 0.8141 0.8166 1.9860 1.9876 4.9317 4.9332 10.5159 10.5178 10.7629 10.7653 11.2453 11.2465 k =-0.3277 0.2862 0.7123 ( 3468 PWs) bands (ev): -47.9541 -47.9541 -22.9626 -22.9625 -20.0139 -20.0113 -19.8478 -19.8460 -19.8173 -19.8133 -18.3681 -18.3680 -8.0105 -8.0099 -5.0873 -5.0845 -4.8040 -4.8033 -4.5386 -4.5349 -0.4484 -0.4461 0.8077 0.8104 1.9878 1.9898 4.9327 4.9343 10.5049 10.5069 10.7662 10.7688 11.2488 11.2501 k =-0.3277 0.2862 0.7123 ( 3468 PWs) bands (ev): -47.9541 -47.9541 -22.9626 -22.9625 -20.0139 -20.0113 -19.8478 -19.8460 -19.8173 -19.8133 -18.3681 -18.3680 -8.0105 -8.0099 -5.0873 -5.0845 -4.8040 -4.8033 -4.5386 -4.5349 -0.4484 -0.4461 0.8077 0.8104 1.9878 1.9898 4.9327 4.9343 10.5049 10.5069 10.7662 10.7688 11.2488 11.2501 k =-0.3175 0.2773 0.7123 ( 3464 PWs) bands (ev): -47.9541 -47.9541 -22.9627 -22.9626 -20.0136 -20.0109 -19.8475 -19.8456 -19.8173 -19.8133 -18.3680 -18.3679 -8.0031 -8.0026 -5.0955 -5.0927 -4.8084 -4.8076 -4.5335 -4.5297 -0.4608 -0.4584 0.7960 0.7988 1.9900 1.9923 4.9199 4.9215 10.4966 10.4986 10.8068 10.8099 11.2659 11.2672 k =-0.3072 0.2683 0.7123 ( 3460 PWs) bands (ev): -47.9540 -47.9540 -22.9628 -22.9627 -20.0134 -20.0106 -19.8471 -19.8453 -19.8173 -19.8133 -18.3679 -18.3677 -7.9951 -7.9945 -5.1036 -5.1007 -4.8133 -4.8125 -4.5280 -4.5242 -0.4737 -0.4713 0.7826 0.7857 1.9926 1.9952 4.9077 4.9092 10.4856 10.4877 10.8494 10.8527 11.2842 11.2856 k =-0.2970 0.2594 0.7123 ( 3462 PWs) bands (ev): -47.9540 -47.9540 -22.9629 -22.9628 -20.0132 -20.0104 -19.8469 -19.8451 -19.8174 -19.8134 -18.3676 -18.3675 -7.9864 -7.9859 -5.1115 -5.1087 -4.8189 -4.8179 -4.5223 -4.5184 -0.4874 -0.4849 0.7679 0.7711 1.9955 1.9984 4.8960 4.8976 10.4730 10.4751 10.8932 10.8968 11.3037 11.3053 k =-0.2867 0.2504 0.7123 ( 3463 PWs) bands (ev): -47.9540 -47.9540 -22.9630 -22.9629 -20.0130 -20.0102 -19.8467 -19.8449 -19.8174 -19.8134 -18.3673 -18.3671 -7.9772 -7.9767 -5.1193 -5.1165 -4.8248 -4.8238 -4.5162 -4.5123 -0.5016 -0.4991 0.7520 0.7554 1.9987 2.0018 4.8850 4.8866 10.4595 10.4615 10.9377 10.9416 11.3245 11.3262 k =-0.2765 0.2415 0.7123 ( 3456 PWs) bands (ev): -47.9540 -47.9540 -22.9631 -22.9630 -20.0129 -20.0101 -19.8466 -19.8448 -19.8174 -19.8135 -18.3668 -18.3666 -7.9674 -7.9669 -5.1271 -5.1243 -4.8311 -4.8301 -4.5099 -4.5059 -0.5164 -0.5139 0.7351 0.7386 2.0022 2.0055 4.8747 4.8763 10.4454 10.4474 10.9824 10.9866 11.3465 11.3483 k =-0.2663 0.2326 0.7123 ( 3454 PWs) bands (ev): -47.9540 -47.9540 -22.9632 -22.9630 -20.0129 -20.0101 -19.8465 -19.8448 -19.8174 -19.8135 -18.3662 -18.3660 -7.9571 -7.9566 -5.1347 -5.1320 -4.8377 -4.8366 -4.5034 -4.4994 -0.5317 -0.5291 0.7172 0.7209 2.0058 2.0093 4.8651 4.8666 10.4312 10.4331 11.0268 11.0313 11.3698 11.3717 k =-0.2560 0.2236 0.7123 ( 3458 PWs) bands (ev): -47.9540 -47.9540 -22.9633 -22.9631 -20.0129 -20.0101 -19.8466 -19.8449 -19.8174 -19.8136 -18.3654 -18.3652 -7.9463 -7.9458 -5.1424 -5.1397 -4.8445 -4.8433 -4.4967 -4.4928 -0.5474 -0.5447 0.6986 0.7024 2.0096 2.0132 4.8561 4.8576 10.4171 10.4190 11.0703 11.0752 11.3944 11.3964 k =-0.2458 0.2147 0.7123 ( 3458 PWs) bands (ev): -47.9540 -47.9540 -22.9633 -22.9631 -20.0129 -20.0102 -19.8467 -19.8451 -19.8174 -19.8137 -18.3646 -18.3644 -7.9352 -7.9347 -5.1501 -5.1474 -4.8513 -4.8501 -4.4900 -4.4861 -0.5635 -0.5608 0.6794 0.6833 2.0134 2.0171 4.8478 4.8494 10.4034 10.4052 11.1126 11.1178 11.4203 11.4225 k =-0.2355 0.2057 0.7123 ( 3464 PWs) bands (ev): -47.9540 -47.9540 -22.9633 -22.9632 -20.0131 -20.0105 -19.8470 -19.8454 -19.8174 -19.8139 -18.3636 -18.3634 -7.9237 -7.9233 -5.1579 -5.1553 -4.8581 -4.8568 -4.4832 -4.4793 -0.5798 -0.5770 0.6597 0.6636 2.0173 2.0210 4.8402 4.8418 10.3902 10.3919 11.1531 11.1585 11.4477 11.4500 k =-0.2253 0.1968 0.7123 ( 3463 PWs) bands (ev): -47.9540 -47.9540 -22.9633 -22.9632 -20.0133 -20.0107 -19.8473 -19.8458 -19.8174 -19.8140 -18.3625 -18.3622 -7.9120 -7.9116 -5.1658 -5.1632 -4.8647 -4.8634 -4.4765 -4.4726 -0.5963 -0.5935 0.6397 0.6437 2.0212 2.0250 4.8333 4.8349 10.3776 10.3792 11.1913 11.1970 11.4766 11.4790 k =-0.2151 0.1878 0.7123 ( 3470 PWs) bands (ev): -47.9540 -47.9540 -22.9633 -22.9632 -20.0135 -20.0111 -19.8477 -19.8463 -19.8174 -19.8141 -18.3612 -18.3610 -7.9001 -7.8997 -5.1738 -5.1713 -4.8711 -4.8697 -4.4698 -4.4659 -0.6129 -0.6101 0.6196 0.6236 2.0250 2.0288 4.8271 4.8286 10.3655 10.3671 11.2269 11.2329 11.5070 11.5095 k =-0.2048 0.1789 0.7123 ( 3474 PWs) bands (ev): -47.9540 -47.9540 -22.9633 -22.9632 -20.0138 -20.0115 -19.8482 -19.8468 -19.8174 -19.8142 -18.3599 -18.3596 -7.8880 -7.8877 -5.1819 -5.1796 -4.8771 -4.8757 -4.4631 -4.4593 -0.6295 -0.6267 0.5993 0.6033 2.0288 2.0326 4.8215 4.8230 10.3542 10.3557 11.2597 11.2658 11.5389 11.5415 k =-0.1946 0.1699 0.7123 ( 3477 PWs) bands (ev): -47.9539 -47.9539 -22.9632 -22.9631 -20.0142 -20.0120 -19.8487 -19.8474 -19.8174 -19.8144 -18.3584 -18.3582 -7.8759 -7.8756 -5.1903 -5.1881 -4.8828 -4.8813 -4.4566 -4.4529 -0.6459 -0.6431 0.5792 0.5831 2.0325 2.0362 4.8166 4.8180 10.3435 10.3449 11.2895 11.2956 11.5722 11.5748 k =-0.1843 0.1610 0.7123 ( 3479 PWs) bands (ev): -47.9539 -47.9539 -22.9632 -22.9630 -20.0146 -20.0125 -19.8493 -19.8481 -19.8174 -19.8145 -18.3569 -18.3566 -7.8638 -7.8635 -5.1988 -5.1967 -4.8879 -4.8864 -4.4503 -4.4466 -0.6621 -0.6594 0.5592 0.5631 2.0361 2.0397 4.8122 4.8136 10.3336 10.3349 11.3162 11.3224 11.6068 11.6094 k =-0.1741 0.1521 0.7123 ( 3481 PWs) bands (ev): -47.9539 -47.9539 -22.9631 -22.9630 -20.0150 -20.0131 -19.8500 -19.8489 -19.8174 -19.8147 -18.3553 -18.3550 -7.8518 -7.8514 -5.2075 -5.2055 -4.8925 -4.8910 -4.4442 -4.4406 -0.6780 -0.6753 0.5395 0.5433 2.0396 2.0431 4.8085 4.8098 10.3243 10.3256 11.3399 11.3460 11.6425 11.6451 k =-0.1638 0.1431 0.7123 ( 3481 PWs) bands (ev): -47.9539 -47.9539 -22.9630 -22.9629 -20.0155 -20.0137 -19.8507 -19.8496 -19.8173 -19.8148 -18.3536 -18.3533 -7.8399 -7.8396 -5.2163 -5.2144 -4.8966 -4.8950 -4.4383 -4.4348 -0.6935 -0.6908 0.5202 0.5239 2.0430 2.0464 4.8052 4.8065 10.3157 10.3169 11.3608 11.3667 11.6791 11.6816 k =-0.1536 0.1342 0.7123 ( 3488 PWs) bands (ev): -47.9539 -47.9539 -22.9629 -22.9628 -20.0161 -20.0144 -19.8515 -19.8505 -19.8173 -19.8149 -18.3519 -18.3516 -7.8282 -7.8279 -5.2252 -5.2234 -4.9001 -4.8985 -4.4326 -4.4293 -0.7085 -0.7059 0.5013 0.5050 2.0462 2.0494 4.8025 4.8037 10.3078 10.3089 11.3790 11.3847 11.7162 11.7186 k =-0.1434 0.1252 0.7123 ( 3485 PWs) bands (ev): -47.9539 -47.9539 -22.9627 -22.9626 -20.0166 -20.0150 -19.8522 -19.8513 -19.8173 -19.8151 -18.3501 -18.3499 -7.8168 -7.8166 -5.2341 -5.2325 -4.9030 -4.9015 -4.4273 -4.4241 -0.7229 -0.7204 0.4832 0.4867 2.0492 2.0523 4.8002 4.8014 10.3006 10.3016 11.3947 11.4002 11.7536 11.7559 k =-0.1331 0.1163 0.7123 ( 3485 PWs) bands (ev): -47.9539 -47.9539 -22.9626 -22.9625 -20.0172 -20.0157 -19.8530 -19.8521 -19.8173 -19.8152 -18.3484 -18.3481 -7.8058 -7.8056 -5.2429 -5.2414 -4.9054 -4.9039 -4.4223 -4.4193 -0.7366 -0.7342 0.4657 0.4691 2.0521 2.0550 4.7984 4.7995 10.2939 10.2949 11.4082 11.4135 11.7910 11.7932 k =-0.1229 0.1073 0.7123 ( 3481 PWs) bands (ev): -47.9539 -47.9539 -22.9625 -22.9624 -20.0177 -20.0164 -19.8538 -19.8529 -19.8172 -19.8153 -18.3466 -18.3464 -7.7953 -7.7950 -5.2517 -5.2503 -4.9073 -4.9058 -4.4177 -4.4148 -0.7496 -0.7473 0.4491 0.4523 2.0548 2.0576 4.7969 4.7979 10.2879 10.2888 11.4198 11.4247 11.8281 11.8302 k =-0.1126 0.0984 0.7123 ( 3479 PWs) bands (ev): -47.9539 -47.9539 -22.9623 -22.9622 -20.0183 -20.0171 -19.8545 -19.8537 -19.8171 -19.8154 -18.3449 -18.3447 -7.7852 -7.7850 -5.2602 -5.2589 -4.9087 -4.9073 -4.4134 -4.4107 -0.7618 -0.7596 0.4333 0.4363 2.0574 2.0599 4.7957 4.7967 10.2825 10.2833 11.4295 11.4341 11.8646 11.8666 k =-0.1024 0.0894 0.7123 ( 3477 PWs) bands (ev): -47.9539 -47.9539 -22.9622 -22.9621 -20.0188 -20.0177 -19.8553 -19.8545 -19.8171 -19.8155 -18.3433 -18.3431 -7.7758 -7.7756 -5.2683 -5.2672 -4.9097 -4.9083 -4.4094 -4.4069 -0.7730 -0.7710 0.4186 0.4214 2.0597 2.0620 4.7948 4.7957 10.2776 10.2783 11.4377 11.4419 11.9002 11.9021 k =-0.0922 0.0805 0.7123 ( 3477 PWs) bands (ev): -47.9539 -47.9539 -22.9620 -22.9620 -20.0194 -20.0184 -19.8559 -19.8553 -19.8170 -19.8156 -18.3418 -18.3416 -7.7670 -7.7668 -5.2761 -5.2751 -4.9104 -4.9091 -4.4058 -4.4035 -0.7834 -0.7815 0.4050 0.4076 2.0618 2.0639 4.7941 4.7950 10.2732 10.2739 11.4445 11.4483 11.9345 11.9362 k =-0.0819 0.0716 0.7123 ( 3477 PWs) bands (ev): -47.9539 -47.9539 -22.9619 -22.9618 -20.0199 -20.0190 -19.8566 -19.8560 -19.8169 -19.8157 -18.3404 -18.3402 -7.7589 -7.7588 -5.2833 -5.2824 -4.9107 -4.9095 -4.4026 -4.4005 -0.7927 -0.7910 0.3926 0.3949 2.0637 2.0656 4.7937 4.7944 10.2694 10.2700 11.4501 11.4536 11.9671 11.9686 k =-0.0717 0.0626 0.7123 ( 3473 PWs) bands (ev): -47.9539 -47.9539 -22.9618 -22.9617 -20.0203 -20.0196 -19.8572 -19.8566 -19.8169 -19.8158 -18.3390 -18.3389 -7.7517 -7.7515 -5.2899 -5.2892 -4.9109 -4.9098 -4.3998 -4.3979 -0.8010 -0.7994 0.3814 0.3835 2.0655 2.0671 4.7934 4.7941 10.2661 10.2666 11.4547 11.4577 11.9975 11.9989 k =-0.0614 0.0537 0.7123 ( 3470 PWs) bands (ev): -47.9539 -47.9539 -22.9617 -22.9616 -20.0207 -20.0201 -19.8577 -19.8572 -19.8168 -19.8159 -18.3379 -18.3377 -7.7452 -7.7451 -5.2959 -5.2952 -4.9108 -4.9099 -4.3973 -4.3957 -0.8082 -0.8069 0.3716 0.3734 2.0670 2.0684 4.7932 4.7938 10.2633 10.2637 11.4584 11.4610 12.0253 12.0265 k =-0.0512 0.0447 0.7123 ( 3468 PWs) bands (ev): -47.9539 -47.9539 -22.9616 -22.9615 -20.0211 -20.0205 -19.8581 -19.8577 -19.8167 -19.8160 -18.3368 -18.3367 -7.7397 -7.7396 -5.3010 -5.3004 -4.9107 -4.9098 -4.3952 -4.3939 -0.8144 -0.8132 0.3632 0.3648 2.0683 2.0695 4.7931 4.7936 10.2609 10.2613 11.4614 11.4636 12.0500 12.0510 k =-0.0410 0.0358 0.7123 ( 3462 PWs) bands (ev): -47.9539 -47.9539 -22.9615 -22.9614 -20.0213 -20.0209 -19.8584 -19.8581 -19.8166 -19.8160 -18.3360 -18.3359 -7.7351 -7.7351 -5.3053 -5.3048 -4.9104 -4.9098 -4.3935 -4.3924 -0.8194 -0.8185 0.3564 0.3576 2.0694 2.0704 4.7931 4.7935 10.2590 10.2593 11.4637 11.4654 12.0711 12.0720 k =-0.0307 0.0268 0.7123 ( 3461 PWs) bands (ev): -47.9539 -47.9539 -22.9614 -22.9614 -20.0216 -20.0213 -19.8587 -19.8585 -19.8166 -19.8161 -18.3353 -18.3352 -7.7315 -7.7315 -5.3087 -5.3084 -4.9102 -4.9097 -4.3921 -4.3913 -0.8233 -0.8226 0.3510 0.3519 2.0703 2.0710 4.7931 4.7934 10.2575 10.2577 11.4654 11.4668 12.0881 12.0888 k =-0.0205 0.0179 0.7123 ( 3464 PWs) bands (ev): -47.9539 -47.9539 -22.9613 -22.9613 -20.0217 -20.0215 -19.8589 -19.8588 -19.8165 -19.8162 -18.3348 -18.3347 -7.7289 -7.7289 -5.3111 -5.3109 -4.9100 -4.9096 -4.3911 -4.3906 -0.8261 -0.8256 0.3471 0.3477 2.0710 2.0714 4.7932 4.7933 10.2565 10.2566 11.4667 11.4676 12.1006 12.1011 k =-0.0102 0.0089 0.7123 ( 3464 PWs) bands (ev): -47.9539 -47.9539 -22.9613 -22.9613 -20.0218 -20.0217 -19.8590 -19.8589 -19.8164 -19.8163 -18.3345 -18.3344 -7.7273 -7.7273 -5.3126 -5.3125 -4.9098 -4.9096 -4.3905 -4.3902 -0.8277 -0.8275 0.3449 0.3452 2.0714 2.0716 4.7932 4.7933 10.2559 10.2559 11.4675 11.4680 12.1083 12.1086 k = 0.0000 0.0000 0.7123 ( 3460 PWs) bands (ev): -47.9538 -47.9538 -22.9613 -22.9613 -20.0218 -20.0218 -19.8590 -19.8590 -19.8163 -19.8163 -18.3344 -18.3344 -7.7268 -7.7268 -5.3131 -5.3131 -4.9097 -4.9097 -4.3901 -4.3901 -0.8282 -0.8282 0.3442 0.3442 2.0716 2.0716 4.7933 4.7933 10.2557 10.2557 11.4680 11.4680 12.1110 12.1110 k = 0.0000 0.0000 0.7123 ( 3460 PWs) bands (ev): -47.9538 -47.9538 -22.9613 -22.9613 -20.0218 -20.0218 -19.8590 -19.8590 -19.8163 -19.8163 -18.3344 -18.3344 -7.7268 -7.7268 -5.3131 -5.3131 -4.9097 -4.9097 -4.3901 -4.3901 -0.8282 -0.8282 0.3442 0.3442 2.0716 2.0716 4.7933 4.7933 10.2557 10.2557 11.4680 11.4680 12.1110 12.1110 k = 0.0089 0.0102 0.7123 ( 3464 PWs) bands (ev): -47.9539 -47.9539 -22.9613 -22.9613 -20.0220 -20.0216 -19.8593 -19.8588 -19.8164 -19.8163 -18.3344 -18.3343 -7.7269 -7.7268 -5.3133 -5.3131 -4.9097 -4.9094 -4.3903 -4.3902 -0.8280 -0.8278 0.3442 0.3443 2.0717 2.0717 4.7931 4.7933 10.2566 10.2568 11.4679 11.4680 12.1085 12.1090 k = 0.0179 0.0204 0.7123 ( 3462 PWs) bands (ev): -47.9539 -47.9539 -22.9613 -22.9613 -20.0221 -20.0214 -19.8595 -19.8585 -19.8164 -19.8162 -18.3344 -18.3343 -7.7270 -7.7270 -5.3137 -5.3133 -4.9095 -4.9090 -4.3908 -4.3906 -0.8273 -0.8270 0.3443 0.3444 2.0719 2.0719 4.7929 4.7934 10.2593 10.2597 11.4679 11.4682 12.1014 12.1024 k = 0.0268 0.0307 0.7123 ( 3468 PWs) bands (ev): -47.9539 -47.9539 -22.9614 -22.9614 -20.0223 -20.0212 -19.8598 -19.8582 -19.8163 -19.8161 -18.3345 -18.3343 -7.7273 -7.7273 -5.3144 -5.3138 -4.9091 -4.9083 -4.3914 -4.3912 -0.8261 -0.8257 0.3444 0.3446 2.0722 2.0722 4.7927 4.7934 10.2640 10.2646 11.4678 11.4683 12.0899 12.0915 k = 0.0357 0.0409 0.7123 ( 3470 PWs) bands (ev): -47.9539 -47.9539 -22.9615 -22.9615 -20.0225 -20.0209 -19.8601 -19.8579 -19.8163 -19.8159 -18.3345 -18.3343 -7.7277 -7.7276 -5.3153 -5.3144 -4.9086 -4.9075 -4.3924 -4.3920 -0.8244 -0.8239 0.3446 0.3449 2.0727 2.0727 4.7924 4.7933 10.2705 10.2713 11.4679 11.4685 12.0742 12.0762 k = 0.0446 0.0511 0.7123 ( 3472 PWs) bands (ev): -47.9539 -47.9539 -22.9616 -22.9616 -20.0226 -20.0207 -19.8603 -19.8576 -19.8162 -19.8157 -18.3346 -18.3343 -7.7282 -7.7281 -5.3163 -5.3153 -4.9078 -4.9064 -4.3936 -4.3931 -0.8222 -0.8216 0.3449 0.3452 2.0733 2.0733 4.7920 4.7932 10.2790 10.2800 11.4679 11.4687 12.0545 12.0570 k = 0.0536 0.0613 0.7123 ( 3468 PWs) bands (ev): -47.9539 -47.9539 -22.9618 -22.9618 -20.0227 -20.0204 -19.8605 -19.8573 -19.8160 -19.8154 -18.3347 -18.3344 -7.7287 -7.7286 -5.3176 -5.3164 -4.9068 -4.9052 -4.3949 -4.3944 -0.8196 -0.8189 0.3453 0.3456 2.0740 2.0740 4.7917 4.7931 10.2893 10.2905 11.4680 11.4689 12.0310 12.0339 k = 0.0625 0.0716 0.7123 ( 3466 PWs) bands (ev): -47.9539 -47.9539 -22.9619 -22.9619 -20.0227 -20.0201 -19.8607 -19.8570 -19.8158 -19.8152 -18.3347 -18.3344 -7.7294 -7.7293 -5.3190 -5.3176 -4.9056 -4.9038 -4.3965 -4.3959 -0.8167 -0.8158 0.3457 0.3461 2.0749 2.0749 4.7913 4.7929 10.3014 10.3028 11.4681 11.4692 12.0041 12.0074 k = 0.0714 0.0818 0.7123 ( 3464 PWs) bands (ev): -47.9539 -47.9539 -22.9621 -22.9621 -20.0228 -20.0198 -19.8609 -19.8567 -19.8156 -19.8148 -18.3348 -18.3344 -7.7301 -7.7300 -5.3205 -5.3190 -4.9044 -4.9023 -4.3983 -4.3976 -0.8133 -0.8124 0.3461 0.3466 2.0759 2.0759 4.7909 4.7927 10.3153 10.3168 11.4682 11.4695 11.9740 11.9777 k = 0.0804 0.0920 0.7123 ( 3466 PWs) bands (ev): -47.9539 -47.9539 -22.9623 -22.9623 -20.0229 -20.0195 -19.8611 -19.8564 -19.8154 -19.8145 -18.3349 -18.3344 -7.7309 -7.7308 -5.3222 -5.3205 -4.9030 -4.9007 -4.4002 -4.3994 -0.8097 -0.8086 0.3466 0.3471 2.0769 2.0769 4.7904 4.7924 10.3309 10.3326 11.4684 11.4697 11.9412 11.9452 k = 0.0893 0.1022 0.7123 ( 3464 PWs) bands (ev): -47.9539 -47.9539 -22.9625 -22.9625 -20.0229 -20.0192 -19.8612 -19.8561 -19.8151 -19.8142 -18.3350 -18.3345 -7.7318 -7.7316 -5.3240 -5.3221 -4.9015 -4.8989 -4.4023 -4.4014 -0.8058 -0.8046 0.3471 0.3477 2.0780 2.0780 4.7899 4.7921 10.3482 10.3502 11.4686 11.4701 11.9058 11.9101 k = 0.0982 0.1124 0.7123 ( 3474 PWs) bands (ev): -47.9539 -47.9539 -22.9627 -22.9627 -20.0230 -20.0189 -19.8614 -19.8559 -19.8149 -19.8139 -18.3350 -18.3345 -7.7327 -7.7325 -5.3258 -5.3238 -4.8999 -4.8971 -4.4044 -4.4035 -0.8017 -0.8004 0.3477 0.3483 2.0791 2.0791 4.7894 4.7918 10.3672 10.3693 11.4688 11.4704 11.8684 11.8730 k = 0.1071 0.1227 0.7123 ( 3476 PWs) bands (ev): -47.9539 -47.9539 -22.9630 -22.9630 -20.0230 -20.0186 -19.8616 -19.8556 -19.8146 -19.8135 -18.3351 -18.3346 -7.7336 -7.7334 -5.3277 -5.3256 -4.8982 -4.8953 -4.4067 -4.4057 -0.7974 -0.7960 0.3483 0.3489 2.0804 2.0804 4.7888 4.7915 10.3878 10.3900 11.4690 11.4707 11.8292 11.8340 k = 0.1161 0.1329 0.7123 ( 3474 PWs) bands (ev): -47.9539 -47.9539 -22.9632 -22.9632 -20.0230 -20.0183 -19.8618 -19.8553 -19.8143 -19.8131 -18.3352 -18.3346 -7.7346 -7.7344 -5.3297 -5.3274 -4.8966 -4.8934 -4.4090 -4.4079 -0.7930 -0.7915 0.3489 0.3496 2.0816 2.0816 4.7883 4.7911 10.4098 10.4122 11.4692 11.4710 11.7885 11.7935 k = 0.1250 0.1431 0.7123 ( 3476 PWs) bands (ev): -47.9539 -47.9539 -22.9634 -22.9634 -20.0230 -20.0180 -19.8619 -19.8550 -19.8140 -19.8128 -18.3353 -18.3347 -7.7356 -7.7354 -5.3316 -5.3292 -4.8949 -4.8916 -4.4113 -4.4102 -0.7885 -0.7870 0.3495 0.3502 2.0829 2.0829 4.7878 4.7907 10.4332 10.4358 11.4694 11.4714 11.7466 11.7519 k = 0.1339 0.1533 0.7123 ( 3480 PWs) bands (ev): -47.9539 -47.9539 -22.9637 -22.9637 -20.0230 -20.0177 -19.8620 -19.8548 -19.8137 -19.8124 -18.3354 -18.3347 -7.7365 -7.7363 -5.3335 -5.3310 -4.8932 -4.8898 -4.4136 -4.4124 -0.7841 -0.7825 0.3501 0.3509 2.0842 2.0842 4.7872 4.7904 10.4580 10.4606 11.4697 11.4717 11.7040 11.7095 k = 0.1429 0.1636 0.7123 ( 3482 PWs) bands (ev): -47.9539 -47.9539 -22.9639 -22.9639 -20.0230 -20.0175 -19.8622 -19.8546 -19.8134 -19.8120 -18.3355 -18.3348 -7.7375 -7.7373 -5.3354 -5.3328 -4.8915 -4.8880 -4.4158 -4.4146 -0.7797 -0.7780 0.3507 0.3515 2.0855 2.0855 4.7867 4.7900 10.4838 10.4866 11.4699 11.4721 11.6608 11.6665 k = 0.1518 0.1738 0.7123 ( 3482 PWs) bands (ev): -47.9539 -47.9539 -22.9642 -22.9641 -20.0230 -20.0172 -19.8623 -19.8543 -19.8131 -19.8116 -18.3356 -18.3348 -7.7385 -7.7382 -5.3372 -5.3345 -4.8899 -4.8862 -4.4180 -4.4168 -0.7755 -0.7737 0.3513 0.3522 2.0868 2.0868 4.7862 4.7896 10.5107 10.5135 11.4702 11.4724 11.6175 11.6234 k = 0.1607 0.1840 0.7123 ( 3478 PWs) bands (ev): -47.9539 -47.9539 -22.9644 -22.9644 -20.0229 -20.0169 -19.8624 -19.8541 -19.8128 -19.8113 -18.3357 -18.3349 -7.7394 -7.7391 -5.3389 -5.3361 -4.8884 -4.8846 -4.4201 -4.4188 -0.7714 -0.7695 0.3519 0.3528 2.0880 2.0880 4.7857 4.7893 10.5383 10.5413 11.4704 11.4727 11.5744 11.5804 k = 0.1696 0.1942 0.7123 ( 3486 PWs) bands (ev): -47.9539 -47.9539 -22.9646 -22.9646 -20.0229 -20.0167 -19.8625 -19.8539 -19.8126 -19.8110 -18.3357 -18.3349 -7.7402 -7.7400 -5.3405 -5.3377 -4.8870 -4.8830 -4.4221 -4.4208 -0.7675 -0.7656 0.3524 0.3534 2.0891 2.0891 4.7853 4.7890 10.5665 10.5695 11.4707 11.4731 11.5319 11.5380 k = 0.1786 0.2044 0.7123 ( 3492 PWs) bands (ev): -47.9539 -47.9539 -22.9648 -22.9648 -20.0229 -20.0166 -19.8626 -19.8538 -19.8124 -19.8107 -18.3358 -18.3350 -7.7410 -7.7408 -5.3420 -5.3391 -4.8856 -4.8816 -4.4240 -4.4226 -0.7639 -0.7620 0.3529 0.3539 2.0902 2.0902 4.7849 4.7886 10.5949 10.5980 11.4709 11.4733 11.4904 11.4966 k = 0.1875 0.2147 0.7123 ( 3494 PWs) bands (ev): -47.9539 -47.9539 -22.9650 -22.9650 -20.0229 -20.0164 -19.8627 -19.8536 -19.8121 -19.8104 -18.3359 -18.3350 -7.7418 -7.7415 -5.3434 -5.3404 -4.8844 -4.8803 -4.4257 -4.4242 -0.7606 -0.7587 0.3534 0.3544 2.0912 2.0912 4.7845 4.7883 10.6232 10.6263 11.4503 11.4566 11.4711 11.4737 k = 0.1964 0.2249 0.7123 ( 3494 PWs) bands (ev): -47.9539 -47.9539 -22.9651 -22.9651 -20.0229 -20.0162 -19.8628 -19.8535 -19.8119 -19.8102 -18.3359 -18.3351 -7.7424 -7.7421 -5.3446 -5.3416 -4.8833 -4.8792 -4.4272 -4.4257 -0.7577 -0.7557 0.3538 0.3548 2.0921 2.0921 4.7841 4.7881 10.6507 10.6538 11.4124 11.4189 11.4713 11.4739 k = 0.2054 0.2351 0.7123 ( 3496 PWs) bands (ev): -47.9539 -47.9539 -22.9653 -22.9653 -20.0229 -20.0161 -19.8628 -19.8534 -19.8117 -19.8099 -18.3360 -18.3351 -7.7430 -7.7427 -5.3456 -5.3426 -4.8824 -4.8782 -4.4285 -4.4270 -0.7552 -0.7531 0.3542 0.3552 2.0929 2.0929 4.7838 4.7879 10.6768 10.6800 11.3773 11.3839 11.4715 11.4741 k = 0.2143 0.2453 0.7123 ( 3490 PWs) bands (ev): -47.9539 -47.9539 -22.9654 -22.9654 -20.0228 -20.0159 -19.8629 -19.8533 -19.8115 -19.8097 -18.3360 -18.3351 -7.7435 -7.7432 -5.3465 -5.3434 -4.8816 -4.8773 -4.4296 -4.4280 -0.7531 -0.7510 0.3545 0.3555 2.0936 2.0936 4.7836 4.7877 10.7007 10.7038 11.3461 11.3528 11.4716 11.4743 k = 0.2232 0.2556 0.7123 ( 3482 PWs) bands (ev): -47.9539 -47.9539 -22.9655 -22.9655 -20.0228 -20.0158 -19.8629 -19.8532 -19.8114 -19.8095 -18.3360 -18.3352 -7.7438 -7.7435 -5.3472 -5.3440 -4.8810 -4.8767 -4.4304 -4.4289 -0.7514 -0.7493 0.3548 0.3558 2.0941 2.0941 4.7834 4.7875 10.7213 10.7244 11.3197 11.3266 11.4717 11.4744 k = 0.2321 0.2658 0.7123 ( 3486 PWs) bands (ev): -47.9539 -47.9539 -22.9655 -22.9655 -20.0228 -20.0157 -19.8629 -19.8531 -19.8113 -19.8094 -18.3361 -18.3352 -7.7441 -7.7438 -5.3477 -5.3445 -4.8805 -4.8762 -4.4310 -4.4295 -0.7502 -0.7480 0.3549 0.3560 2.0945 2.0945 4.7833 4.7874 10.7373 10.7403 11.2995 11.3065 11.4718 11.4745 k = 0.2411 0.2760 0.7123 ( 3482 PWs) bands (ev): -47.9539 -47.9539 -22.9656 -22.9656 -20.0228 -20.0157 -19.8629 -19.8531 -19.8112 -19.8093 -18.3361 -18.3352 -7.7443 -7.7440 -5.3480 -5.3448 -4.8803 -4.8759 -4.4314 -4.4298 -0.7494 -0.7473 0.3550 0.3561 2.0947 2.0947 4.7832 4.7873 10.7476 10.7506 11.2868 11.2938 11.4719 11.4746 k = 0.2500 0.2862 0.7123 ( 3488 PWs) bands (ev): -47.9539 -47.9539 -22.9656 -22.9656 -20.0228 -20.0157 -19.8629 -19.8531 -19.8112 -19.8094 -18.3361 -18.3352 -7.7443 -7.7440 -5.3481 -5.3449 -4.8802 -4.8758 -4.4315 -4.4300 -0.7492 -0.7471 0.3551 0.3561 2.0948 2.0948 4.7831 4.7873 10.7511 10.7541 11.2824 11.2894 11.4719 11.4746 k = 0.2500 0.2862 0.7123 ( 3488 PWs) bands (ev): -47.9539 -47.9539 -22.9656 -22.9656 -20.0228 -20.0157 -19.8629 -19.8531 -19.8112 -19.8094 -18.3361 -18.3352 -7.7443 -7.7440 -5.3481 -5.3449 -4.8802 -4.8758 -4.4315 -4.4300 -0.7492 -0.7471 0.3551 0.3561 2.0948 2.0948 4.7831 4.7873 10.7511 10.7541 11.2824 11.2894 11.4719 11.4746 k = 0.2417 0.2935 0.7048 ( 3488 PWs) bands (ev): -47.9539 -47.9539 -22.9656 -22.9656 -20.0227 -20.0156 -19.8629 -19.8530 -19.8112 -19.8094 -18.3362 -18.3353 -7.7448 -7.7445 -5.3475 -5.3444 -4.8806 -4.8762 -4.4314 -4.4299 -0.7491 -0.7469 0.3561 0.3571 2.0946 2.0946 4.7829 4.7870 10.7498 10.7527 11.2610 11.2670 11.4962 11.4979 k = 0.2333 0.3008 0.6972 ( 3482 PWs) bands (ev): -47.9539 -47.9539 -22.9657 -22.9657 -20.0225 -20.0155 -19.8626 -19.8528 -19.8112 -19.8093 -18.3364 -18.3355 -7.7463 -7.7460 -5.3458 -5.3426 -4.8816 -4.8772 -4.4312 -4.4295 -0.7486 -0.7465 0.3592 0.3603 2.0939 2.0939 4.7820 4.7862 10.7457 10.7486 11.2138 11.2187 11.5502 11.5507 k = 0.2250 0.3081 0.6896 ( 3488 PWs) bands (ev): -47.9539 -47.9539 -22.9659 -22.9659 -20.0222 -20.0152 -19.8623 -19.8526 -19.8112 -19.8093 -18.3367 -18.3358 -7.7489 -7.7486 -5.3430 -5.3398 -4.8834 -4.8790 -4.4308 -4.4290 -0.7478 -0.7457 0.3643 0.3654 2.0927 2.0928 4.7807 4.7848 10.7389 10.7416 11.1590 11.1632 11.6149 11.6153 k = 0.2167 0.3153 0.6820 ( 3490 PWs) bands (ev): -47.9539 -47.9539 -22.9661 -22.9661 -20.0218 -20.0149 -19.8619 -19.8522 -19.8112 -19.8093 -18.3372 -18.3363 -7.7523 -7.7520 -5.3391 -5.3360 -4.8858 -4.8813 -4.4303 -4.4284 -0.7467 -0.7447 0.3714 0.3725 2.0911 2.0913 4.7788 4.7829 10.7291 10.7317 11.1029 11.1068 11.6842 11.6852 k = 0.2083 0.3226 0.6745 ( 3490 PWs) bands (ev): -47.9539 -47.9539 -22.9664 -22.9664 -20.0213 -20.0144 -19.8613 -19.8518 -19.8111 -19.8092 -18.3377 -18.3369 -7.7567 -7.7564 -5.3343 -5.3311 -4.8886 -4.8841 -4.4297 -4.4276 -0.7454 -0.7434 0.3804 0.3815 2.0891 2.0893 4.7763 4.7804 10.7162 10.7186 11.0482 11.0519 11.7560 11.7574 k = 0.2000 0.3299 0.6669 ( 3490 PWs) bands (ev): -47.9539 -47.9539 -22.9667 -22.9667 -20.0207 -20.0139 -19.8606 -19.8512 -19.8110 -19.8092 -18.3384 -18.3376 -7.7619 -7.7616 -5.3286 -5.3254 -4.8919 -4.8873 -4.4291 -4.4269 -0.7437 -0.7418 0.3912 0.3922 2.0867 2.0870 4.7734 4.7775 10.7000 10.7022 10.9961 10.9997 11.8290 11.8309 k = 0.1917 0.3372 0.6593 ( 3492 PWs) bands (ev): -47.9539 -47.9539 -22.9671 -22.9671 -20.0200 -20.0134 -19.8598 -19.8505 -19.8110 -19.8091 -18.3393 -18.3384 -7.7679 -7.7676 -5.3221 -5.3190 -4.8953 -4.8907 -4.4286 -4.4262 -0.7417 -0.7398 0.4037 0.4047 2.0839 2.0842 4.7700 4.7740 10.6803 10.6822 10.9474 10.9511 11.9025 11.9048 k = 0.1833 0.3445 0.6518 ( 3494 PWs) bands (ev): -47.9539 -47.9539 -22.9675 -22.9675 -20.0192 -20.0127 -19.8589 -19.8498 -19.8109 -19.8090 -18.3402 -18.3393 -7.7746 -7.7743 -5.3151 -5.3119 -4.8989 -4.8942 -4.4282 -4.4256 -0.7394 -0.7376 0.4176 0.4186 2.0808 2.0812 4.7662 4.7701 10.6568 10.6584 10.9027 10.9064 11.9757 11.9784 k = 0.1750 0.3517 0.6442 ( 3494 PWs) bands (ev): -47.9539 -47.9539 -22.9680 -22.9680 -20.0183 -20.0120 -19.8579 -19.8490 -19.8108 -19.8089 -18.3412 -18.3404 -7.7819 -7.7817 -5.3076 -5.3044 -4.9024 -4.8977 -4.4280 -4.4253 -0.7368 -0.7351 0.4329 0.4339 2.0774 2.0778 4.7620 4.7658 10.6297 10.6310 10.8621 10.8660 12.0480 12.0511 k = 0.1667 0.3590 0.6366 ( 3490 PWs) bands (ev): -47.9539 -47.9539 -22.9685 -22.9685 -20.0174 -20.0112 -19.8568 -19.8481 -19.8106 -19.8088 -18.3423 -18.3415 -7.7898 -7.7895 -5.2997 -5.2966 -4.9057 -4.9009 -4.4280 -4.4252 -0.7339 -0.7323 0.4495 0.4505 2.0737 2.0741 4.7573 4.7611 10.5994 10.6004 10.8257 10.8296 12.1186 12.1221 k = 0.1583 0.3663 0.6291 ( 3490 PWs) bands (ev): -47.9539 -47.9539 -22.9690 -22.9690 -20.0164 -20.0104 -19.8556 -19.8471 -19.8105 -19.8087 -18.3434 -18.3427 -7.7980 -7.7978 -5.2918 -5.2886 -4.9085 -4.9037 -4.4284 -4.4254 -0.7307 -0.7292 0.4670 0.4680 2.0698 2.0702 4.7524 4.7560 10.5663 10.5672 10.7929 10.7968 12.1866 12.1906 k = 0.1500 0.3736 0.6215 ( 3484 PWs) bands (ev): -47.9539 -47.9539 -22.9695 -22.9695 -20.0153 -20.0096 -19.8543 -19.8461 -19.8103 -19.8085 -18.3446 -18.3439 -7.8066 -7.8064 -5.2838 -5.2807 -4.9107 -4.9059 -4.4291 -4.4260 -0.7272 -0.7258 0.4854 0.4864 2.0657 2.0662 4.7472 4.7507 10.5316 10.5324 10.7631 10.7670 12.2513 12.2556 k = 0.1417 0.3808 0.6139 ( 3488 PWs) bands (ev): -47.9539 -47.9539 -22.9701 -22.9701 -20.0143 -20.0088 -19.8530 -19.8451 -19.8101 -19.8084 -18.3459 -18.3452 -7.8155 -7.8152 -5.2762 -5.2731 -4.9122 -4.9073 -4.4302 -4.4271 -0.7236 -0.7223 0.5043 0.5053 2.0615 2.0619 4.7417 4.7451 10.4960 10.4967 10.7357 10.7396 12.3115 12.3163 k = 0.1333 0.3881 0.6064 ( 3490 PWs) bands (ev): -47.9539 -47.9539 -22.9707 -22.9707 -20.0133 -20.0080 -19.8517 -19.8441 -19.8100 -19.8083 -18.3472 -18.3465 -7.8244 -7.8242 -5.2689 -5.2659 -4.9128 -4.9080 -4.4317 -4.4285 -0.7197 -0.7185 0.5237 0.5247 2.0571 2.0576 4.7361 4.7394 10.4603 10.4610 10.7102 10.7139 12.3665 12.3716 k = 0.1250 0.3954 0.5988 ( 3486 PWs) bands (ev): -47.9539 -47.9539 -22.9713 -22.9713 -20.0122 -20.0072 -19.8502 -19.8430 -19.8098 -19.8081 -18.3485 -18.3479 -7.8334 -7.8332 -5.2621 -5.2592 -4.9125 -4.9076 -4.4337 -4.4305 -0.7157 -0.7146 0.5434 0.5443 2.0527 2.0532 4.7304 4.7335 10.4252 10.4259 10.6861 10.6896 12.4154 12.4208 k = 0.1167 0.4027 0.5912 ( 3486 PWs) bands (ev): -47.9539 -47.9539 -22.9719 -22.9719 -20.0111 -20.0064 -19.8488 -19.8420 -19.8095 -19.8079 -18.3498 -18.3492 -7.8424 -7.8422 -5.2560 -5.2532 -4.9110 -4.9063 -4.4360 -4.4328 -0.7116 -0.7105 0.5630 0.5639 2.0483 2.0488 4.7246 4.7276 10.3911 10.3918 10.6631 10.6665 12.4576 12.4631 k = 0.1083 0.4100 0.5837 ( 3488 PWs) bands (ev): -47.9539 -47.9539 -22.9725 -22.9725 -20.0101 -20.0056 -19.8474 -19.8410 -19.8093 -19.8077 -18.3511 -18.3506 -7.8511 -7.8509 -5.2507 -5.2480 -4.9086 -4.9039 -4.4388 -4.4356 -0.7074 -0.7064 0.5824 0.5833 2.0440 2.0445 4.7188 4.7217 10.3584 10.3592 10.6413 10.6445 12.4927 12.4982 k = 0.1000 0.4172 0.5761 ( 3484 PWs) bands (ev): -47.9539 -47.9539 -22.9731 -22.9730 -20.0090 -20.0049 -19.8460 -19.8399 -19.8090 -19.8075 -18.3524 -18.3519 -7.8596 -7.8594 -5.2462 -5.2436 -4.9050 -4.9005 -4.4420 -4.4388 -0.7032 -0.7023 0.6014 0.6023 2.0397 2.0402 4.7132 4.7158 10.3275 10.3282 10.6205 10.6235 12.5209 12.5263 k = 0.0917 0.4245 0.5685 ( 3492 PWs) bands (ev): -47.9539 -47.9539 -22.9736 -22.9736 -20.0081 -20.0043 -19.8447 -19.8391 -19.8088 -19.8074 -18.3537 -18.3532 -7.8678 -7.8676 -5.2424 -5.2401 -4.9006 -4.8962 -4.4455 -4.4424 -0.6991 -0.6983 0.6198 0.6206 2.0355 2.0360 4.7076 4.7101 10.2984 10.2991 10.6008 10.6035 12.5426 12.5477 k = 0.0833 0.4318 0.5610 ( 3494 PWs) bands (ev): -47.9539 -47.9539 -22.9741 -22.9741 -20.0072 -20.0037 -19.8434 -19.8382 -19.8085 -19.8072 -18.3548 -18.3544 -7.8755 -7.8754 -5.2395 -5.2373 -4.8953 -4.8912 -4.4492 -4.4462 -0.6951 -0.6944 0.6373 0.6381 2.0316 2.0321 4.7023 4.7046 10.2714 10.2721 10.5822 10.5848 12.5585 12.5632 k = 0.0750 0.4391 0.5534 ( 3494 PWs) bands (ev): -47.9539 -47.9539 -22.9746 -22.9746 -20.0063 -20.0031 -19.8422 -19.8375 -19.8082 -19.8070 -18.3560 -18.3555 -7.8828 -7.8826 -5.2372 -5.2352 -4.8895 -4.8856 -4.4531 -4.4503 -0.6912 -0.6906 0.6538 0.6546 2.0279 2.0283 4.6972 4.6993 10.2467 10.2473 10.5650 10.5673 12.5694 12.5737 k = 0.0667 0.4464 0.5458 ( 3502 PWs) bands (ev): -47.9539 -47.9539 -22.9751 -22.9751 -20.0055 -20.0027 -19.8410 -19.8368 -19.8079 -19.8068 -18.3570 -18.3566 -7.8894 -7.8893 -5.2355 -5.2338 -4.8833 -4.8797 -4.4572 -4.4544 -0.6876 -0.6871 0.6692 0.6699 2.0244 2.0248 4.6925 4.6944 10.2242 10.2248 10.5491 10.5511 12.5763 12.5801 k = 0.0583 0.4536 0.5382 ( 3498 PWs) bands (ev): -47.9539 -47.9539 -22.9755 -22.9755 -20.0047 -20.0022 -19.8399 -19.8362 -19.8076 -19.8066 -18.3579 -18.3576 -7.8955 -7.8954 -5.2343 -5.2328 -4.8769 -4.8736 -4.4611 -4.4586 -0.6843 -0.6838 0.6832 0.6838 2.0213 2.0217 4.6882 4.6899 10.2042 10.2047 10.5347 10.5366 12.5802 12.5835 k = 0.0500 0.4609 0.5307 ( 3500 PWs) bands (ev): -47.9539 -47.9539 -22.9759 -22.9759 -20.0040 -20.0019 -19.8389 -19.8357 -19.8073 -19.8065 -18.3588 -18.3585 -7.9008 -7.9007 -5.2335 -5.2322 -4.8706 -4.8677 -4.4649 -4.4626 -0.6812 -0.6808 0.6956 0.6962 2.0185 2.0189 4.6844 4.6859 10.1866 10.1871 10.5220 10.5236 12.5818 12.5847 k = 0.0417 0.4682 0.5231 ( 3504 PWs) bands (ev): -47.9539 -47.9539 -22.9762 -22.9762 -20.0034 -20.0016 -19.8380 -19.8353 -19.8070 -19.8063 -18.3595 -18.3593 -7.9054 -7.9054 -5.2330 -5.2320 -4.8647 -4.8622 -4.4684 -4.4664 -0.6786 -0.6783 0.7064 0.7069 2.0161 2.0164 4.6811 4.6823 10.1717 10.1720 10.5111 10.5124 12.5820 12.5844 k = 0.0333 0.4755 0.5155 ( 3502 PWs) bands (ev): -47.9539 -47.9539 -22.9765 -22.9765 -20.0029 -20.0014 -19.8372 -19.8351 -19.8068 -19.8062 -18.3601 -18.3599 -7.9093 -7.9092 -5.2328 -5.2319 -4.8594 -4.8573 -4.4714 -4.4698 -0.6764 -0.6761 0.7155 0.7159 2.0141 2.0143 4.6783 4.6793 10.1593 10.1596 10.5020 10.5031 12.5813 12.5832 k = 0.0250 0.4827 0.5080 ( 3492 PWs) bands (ev): -47.9539 -47.9539 -22.9767 -22.9767 -20.0023 -20.0013 -19.8365 -19.8348 -19.8066 -19.8061 -18.3606 -18.3604 -7.9123 -7.9122 -5.2326 -5.2319 -4.8549 -4.8533 -4.4739 -4.4726 -0.6746 -0.6744 0.7227 0.7230 2.0125 2.0127 4.6762 4.6769 10.1497 10.1499 10.4949 10.4957 12.5804 12.5818 k = 0.0167 0.4900 0.5004 ( 3492 PWs) bands (ev): -47.9539 -47.9539 -22.9768 -22.9768 -20.0019 -20.0012 -19.8359 -19.8348 -19.8064 -19.8061 -18.3609 -18.3608 -7.9144 -7.9144 -5.2325 -5.2320 -4.8515 -4.8504 -4.4757 -4.4748 -0.6733 -0.6731 0.7278 0.7281 2.0114 2.0115 4.6747 4.6752 10.1428 10.1430 10.4898 10.4904 12.5795 12.5804 k = 0.0083 0.4973 0.4928 ( 3490 PWs) bands (ev): -47.9539 -47.9539 -22.9769 -22.9769 -20.0016 -20.0013 -19.8354 -19.8349 -19.8063 -19.8061 -18.3611 -18.3610 -7.9157 -7.9157 -5.2324 -5.2322 -4.8492 -4.8487 -4.4767 -4.4763 -0.6725 -0.6724 0.7310 0.7311 2.0107 2.0108 4.6738 4.6741 10.1387 10.1387 10.4868 10.4871 12.5789 12.5794 k = 0.0000 0.5046 0.4853 ( 3488 PWs) bands (ev): -47.9539 -47.9539 -22.9770 -22.9770 -20.0014 -20.0014 -19.8351 -19.8351 -19.8062 -19.8062 -18.3611 -18.3611 -7.9162 -7.9162 -5.2323 -5.2323 -4.8483 -4.8483 -4.4769 -4.4769 -0.6722 -0.6722 0.7321 0.7321 2.0105 2.0105 4.6736 4.6736 10.1373 10.1373 10.4859 10.4859 12.5789 12.5789 k = 0.0000 0.5046 0.4853 ( 3488 PWs) bands (ev): -47.9539 -47.9539 -22.9770 -22.9770 -20.0014 -20.0014 -19.8351 -19.8351 -19.8062 -19.8062 -18.3611 -18.3611 -7.9162 -7.9162 -5.2323 -5.2323 -4.8483 -4.8483 -4.4769 -4.4769 -0.6722 -0.6722 0.7321 0.7321 2.0105 2.0105 4.6736 4.6736 10.1373 10.1373 10.4859 10.4859 12.5789 12.5789 k = 0.0107 0.5105 0.4791 ( 3490 PWs) bands (ev): -47.9539 -47.9539 -22.9769 -22.9769 -20.0015 -20.0013 -19.8351 -19.8351 -19.8063 -19.8061 -18.3611 -18.3611 -7.9163 -7.9163 -5.2322 -5.2321 -4.8482 -4.8482 -4.4771 -4.4769 -0.6719 -0.6718 0.7321 0.7323 2.0104 2.0104 4.6738 4.6739 10.1380 10.1380 10.4863 10.4865 12.5774 12.5774 k = 0.0215 0.5164 0.4730 ( 3488 PWs) bands (ev): -47.9539 -47.9539 -22.9769 -22.9768 -20.0016 -20.0013 -19.8352 -19.8351 -19.8064 -19.8061 -18.3612 -18.3612 -7.9167 -7.9166 -5.2319 -5.2316 -4.8480 -4.8479 -4.4773 -4.4769 -0.6710 -0.6708 0.7324 0.7326 2.0101 2.0102 4.6744 4.6746 10.1401 10.1402 10.4879 10.4882 12.5729 12.5731 k = 0.0322 0.5223 0.4668 ( 3494 PWs) bands (ev): -47.9539 -47.9539 -22.9767 -22.9767 -20.0018 -20.0013 -19.8353 -19.8352 -19.8066 -19.8061 -18.3613 -18.3613 -7.9173 -7.9173 -5.2314 -5.2309 -4.8476 -4.8475 -4.4777 -4.4770 -0.6696 -0.6692 0.7328 0.7331 2.0096 2.0097 4.6754 4.6757 10.1436 10.1437 10.4904 10.4909 12.5656 12.5658 k = 0.0430 0.5282 0.4607 ( 3494 PWs) bands (ev): -47.9539 -47.9539 -22.9765 -22.9765 -20.0020 -20.0013 -19.8354 -19.8353 -19.8069 -19.8062 -18.3614 -18.3614 -7.9182 -7.9181 -5.2306 -5.2299 -4.8470 -4.8469 -4.4781 -4.4773 -0.6675 -0.6670 0.7334 0.7338 2.0089 2.0091 4.6770 4.6773 10.1485 10.1487 10.4940 10.4946 12.5553 12.5556 k = 0.0537 0.5341 0.4545 ( 3487 PWs) bands (ev): -47.9539 -47.9539 -22.9763 -22.9762 -20.0022 -20.0014 -19.8355 -19.8354 -19.8071 -19.8063 -18.3615 -18.3615 -7.9194 -7.9192 -5.2295 -5.2286 -4.8462 -4.8461 -4.4787 -4.4776 -0.6648 -0.6642 0.7343 0.7348 2.0081 2.0083 4.6789 4.6794 10.1548 10.1550 10.4986 10.4994 12.5422 12.5425 k = 0.0644 0.5400 0.4484 ( 3485 PWs) bands (ev): -47.9539 -47.9539 -22.9760 -22.9759 -20.0024 -20.0015 -19.8356 -19.8355 -19.8075 -19.8064 -18.3616 -18.3616 -7.9207 -7.9206 -5.2281 -5.2271 -4.8453 -4.8451 -4.4793 -4.4780 -0.6615 -0.6608 0.7353 0.7359 2.0071 2.0074 4.6814 4.6819 10.1624 10.1627 10.5042 10.5051 12.5262 12.5266 k = 0.0752 0.5459 0.4423 ( 3493 PWs) bands (ev): -47.9539 -47.9539 -22.9756 -22.9756 -20.0028 -20.0016 -19.8359 -19.8357 -19.8079 -19.8067 -18.3618 -18.3618 -7.9224 -7.9222 -5.2265 -5.2253 -4.8442 -4.8441 -4.4801 -4.4787 -0.6576 -0.6569 0.7365 0.7372 2.0060 2.0063 4.6842 4.6849 10.1714 10.1717 10.5106 10.5117 12.5073 12.5079 k = 0.0859 0.5519 0.4361 ( 3490 PWs) bands (ev): -47.9539 -47.9539 -22.9752 -22.9751 -20.0030 -20.0018 -19.8361 -19.8359 -19.8082 -19.8069 -18.3620 -18.3620 -7.9242 -7.9240 -5.2245 -5.2232 -4.8430 -4.8428 -4.4810 -4.4793 -0.6532 -0.6523 0.7379 0.7387 2.0048 2.0051 4.6876 4.6883 10.1817 10.1821 10.5179 10.5192 12.4857 12.4863 k = 0.0967 0.5578 0.4300 ( 3494 PWs) bands (ev): -47.9539 -47.9539 -22.9748 -22.9747 -20.0034 -20.0020 -19.8364 -19.8362 -19.8087 -19.8071 -18.3622 -18.3622 -7.9263 -7.9261 -5.2223 -5.2209 -4.8416 -4.8414 -4.4821 -4.4802 -0.6483 -0.6473 0.7395 0.7404 2.0035 2.0038 4.6915 4.6922 10.1932 10.1937 10.5260 10.5274 12.4613 12.4620 k = 0.1074 0.5637 0.4238 ( 3492 PWs) bands (ev): -47.9539 -47.9539 -22.9743 -22.9742 -20.0037 -20.0022 -19.8366 -19.8364 -19.8091 -19.8074 -18.3625 -18.3625 -7.9286 -7.9283 -5.2199 -5.2183 -4.8401 -4.8399 -4.4832 -4.4811 -0.6428 -0.6417 0.7413 0.7423 2.0020 2.0025 4.6958 4.6967 10.2060 10.2065 10.5348 10.5363 12.4341 12.4349 k = 0.1182 0.5696 0.4177 ( 3494 PWs) bands (ev): -47.9539 -47.9539 -22.9738 -22.9737 -20.0041 -20.0024 -19.8370 -19.8367 -19.8096 -19.8077 -18.3627 -18.3627 -7.9311 -7.9308 -5.2171 -5.2154 -4.8385 -4.8383 -4.4845 -4.4822 -0.6368 -0.6357 0.7433 0.7444 2.0006 2.0010 4.7007 4.7016 10.2200 10.2205 10.5443 10.5459 12.4042 12.4051 k = 0.1289 0.5755 0.4115 ( 3492 PWs) bands (ev): -47.9539 -47.9539 -22.9732 -22.9731 -20.0045 -20.0027 -19.8373 -19.8369 -19.8101 -19.8081 -18.3630 -18.3630 -7.9338 -7.9335 -5.2140 -5.2122 -4.8368 -4.8365 -4.4859 -4.4835 -0.6304 -0.6292 0.7455 0.7467 1.9991 1.9996 4.7060 4.7071 10.2350 10.2356 10.5543 10.5561 12.3716 12.3725 k = 0.1396 0.5814 0.4054 ( 3494 PWs) bands (ev): -47.9539 -47.9539 -22.9726 -22.9725 -20.0049 -20.0030 -19.8377 -19.8373 -19.8107 -19.8084 -18.3633 -18.3633 -7.9367 -7.9364 -5.2107 -5.2087 -4.8349 -4.8347 -4.4875 -4.4849 -0.6236 -0.6222 0.7479 0.7492 1.9975 1.9981 4.7119 4.7130 10.2512 10.2518 10.5649 10.5667 12.3362 12.3372 k = 0.1504 0.5873 0.3993 ( 3489 PWs) bands (ev): -47.9539 -47.9539 -22.9720 -22.9719 -20.0053 -20.0033 -19.8381 -19.8376 -19.8112 -19.8087 -18.3636 -18.3636 -7.9398 -7.9394 -5.2071 -5.2050 -4.8330 -4.8327 -4.4892 -4.4865 -0.6163 -0.6149 0.7506 0.7519 1.9960 1.9966 4.7183 4.7195 10.2684 10.2690 10.5758 10.5778 12.2980 12.2992 k = 0.1611 0.5932 0.3931 ( 3493 PWs) bands (ev): -47.9539 -47.9539 -22.9714 -22.9713 -20.0058 -20.0036 -19.8385 -19.8379 -19.8117 -19.8092 -18.3639 -18.3639 -7.9430 -7.9427 -5.2032 -5.2009 -4.8310 -4.8307 -4.4912 -4.4883 -0.6086 -0.6071 0.7533 0.7548 1.9945 1.9951 4.7253 4.7265 10.2864 10.2871 10.5871 10.5892 12.2571 12.2583 k = 0.1719 0.5991 0.3870 ( 3487 PWs) bands (ev): -47.9539 -47.9539 -22.9707 -22.9706 -20.0062 -20.0040 -19.8389 -19.8383 -19.8122 -19.8095 -18.3642 -18.3642 -7.9464 -7.9461 -5.1989 -5.1966 -4.8289 -4.8286 -4.4932 -4.4902 -0.6006 -0.5990 0.7563 0.7579 1.9931 1.9937 4.7328 4.7341 10.3054 10.3061 10.5986 10.6008 12.2134 12.2146 k = 0.1826 0.6050 0.3808 ( 3481 PWs) bands (ev): -47.9539 -47.9539 -22.9701 -22.9699 -20.0067 -20.0043 -19.8393 -19.8386 -19.8128 -19.8098 -18.3646 -18.3646 -7.9500 -7.9496 -5.1944 -5.1920 -4.8268 -4.8265 -4.4954 -4.4922 -0.5922 -0.5906 0.7595 0.7611 1.9917 1.9924 4.7408 4.7422 10.3250 10.3257 10.6104 10.6127 12.1668 12.1681 k = 0.1933 0.6109 0.3747 ( 3477 PWs) bands (ev): -47.9539 -47.9539 -22.9694 -22.9693 -20.0071 -20.0047 -19.8398 -19.8390 -19.8132 -19.8102 -18.3649 -18.3649 -7.9537 -7.9533 -5.1896 -5.1871 -4.8247 -4.8243 -4.4977 -4.4944 -0.5836 -0.5819 0.7629 0.7646 1.9904 1.9911 4.7494 4.7508 10.3452 10.3459 10.6225 10.6247 12.1174 12.1188 k = 0.2041 0.6169 0.3685 ( 3474 PWs) bands (ev): -47.9539 -47.9539 -22.9688 -22.9686 -20.0076 -20.0051 -19.8403 -19.8394 -19.8137 -19.8105 -18.3652 -18.3652 -7.9575 -7.9571 -5.1846 -5.1820 -4.8225 -4.8222 -4.5001 -4.4967 -0.5748 -0.5729 0.7664 0.7682 1.9892 1.9899 4.7585 4.7599 10.3658 10.3665 10.6347 10.6370 12.0651 12.0665 k = 0.2148 0.6228 0.3624 ( 3468 PWs) bands (ev): -47.9539 -47.9539 -22.9681 -22.9679 -20.0081 -20.0055 -19.8408 -19.8399 -19.8142 -19.8108 -18.3655 -18.3655 -7.9615 -7.9610 -5.1792 -5.1765 -4.8203 -4.8200 -4.5027 -4.4992 -0.5657 -0.5638 0.7701 0.7719 1.9881 1.9888 4.7681 4.7696 10.3866 10.3873 10.6473 10.6495 12.0100 12.0114 k = 0.2256 0.6287 0.3562 ( 3466 PWs) bands (ev): -47.9539 -47.9539 -22.9675 -22.9673 -20.0086 -20.0060 -19.8414 -19.8403 -19.8146 -19.8112 -18.3659 -18.3659 -7.9655 -7.9650 -5.1736 -5.1709 -4.8181 -4.8178 -4.5054 -4.5019 -0.5564 -0.5544 0.7739 0.7758 1.9871 1.9879 4.7782 4.7797 10.4073 10.4079 10.6602 10.6623 11.9520 11.9534 k = 0.2363 0.6346 0.3501 ( 3472 PWs) bands (ev): -47.9540 -47.9540 -22.9668 -22.9667 -20.0091 -20.0064 -19.8419 -19.8408 -19.8151 -19.8115 -18.3662 -18.3662 -7.9696 -7.9691 -5.1678 -5.1649 -4.8160 -4.8156 -4.5083 -4.5046 -0.5470 -0.5450 0.7778 0.7797 1.9862 1.9870 4.7889 4.7904 10.4277 10.4281 10.6736 10.6755 11.8912 11.8926 k = 0.2470 0.6405 0.3440 ( 3468 PWs) bands (ev): -47.9540 -47.9540 -22.9662 -22.9661 -20.0095 -20.0069 -19.8424 -19.8412 -19.8155 -19.8118 -18.3665 -18.3665 -7.9738 -7.9733 -5.1616 -5.1588 -4.8139 -4.8135 -4.5112 -4.5075 -0.5375 -0.5354 0.7818 0.7838 1.9854 1.9862 4.8000 4.8015 10.4473 10.4475 10.6876 10.6894 11.8279 11.8291 k = 0.2578 0.6464 0.3378 ( 3472 PWs) bands (ev): -47.9540 -47.9540 -22.9657 -22.9655 -20.0100 -20.0073 -19.8430 -19.8417 -19.8159 -19.8121 -18.3667 -18.3667 -7.9780 -7.9775 -5.1553 -5.1524 -4.8118 -4.8114 -4.5142 -4.5105 -0.5279 -0.5258 0.7860 0.7880 1.9848 1.9856 4.8115 4.8131 10.4657 10.4657 10.7024 10.7039 11.7622 11.7633 k = 0.2685 0.6523 0.3317 ( 3471 PWs) bands (ev): -47.9540 -47.9540 -22.9651 -22.9650 -20.0105 -20.0078 -19.8436 -19.8422 -19.8162 -19.8123 -18.3670 -18.3670 -7.9823 -7.9818 -5.1487 -5.1457 -4.8099 -4.8095 -4.5173 -4.5135 -0.5182 -0.5161 0.7902 0.7922 1.9843 1.9851 4.8235 4.8251 10.4823 10.4825 10.7182 10.7193 11.6944 11.6954 k = 0.2793 0.6582 0.3255 ( 3473 PWs) bands (ev): -47.9540 -47.9540 -22.9646 -22.9645 -20.0110 -20.0083 -19.8442 -19.8427 -19.8165 -19.8126 -18.3673 -18.3673 -7.9866 -7.9861 -5.1418 -5.1388 -4.8079 -4.8075 -4.5205 -4.5166 -0.5086 -0.5064 0.7944 0.7965 1.9839 1.9847 4.8359 4.8375 10.4969 10.4974 10.7347 10.7354 11.6252 11.6259 k = 0.2900 0.6641 0.3194 ( 3469 PWs) bands (ev): -47.9540 -47.9540 -22.9642 -22.9640 -20.0114 -20.0087 -19.8447 -19.8432 -19.8167 -19.8127 -18.3675 -18.3675 -7.9909 -7.9904 -5.1347 -5.1317 -4.8061 -4.8057 -4.5237 -4.5198 -0.4989 -0.4967 0.7986 0.8008 1.9836 1.9845 4.8487 4.8503 10.5092 10.5100 10.7518 10.7519 11.5552 11.5557 k = 0.3007 0.6700 0.3132 ( 3474 PWs) bands (ev): -47.9540 -47.9540 -22.9638 -22.9636 -20.0119 -20.0092 -19.8452 -19.8437 -19.8170 -19.8129 -18.3677 -18.3677 -7.9952 -7.9947 -5.1274 -5.1244 -4.8044 -4.8040 -4.5269 -4.5230 -0.4893 -0.4871 0.8029 0.8050 1.9834 1.9843 4.8617 4.8634 10.5190 10.5202 10.7682 10.7685 11.4857 11.4860 k = 0.3115 0.6759 0.3071 ( 3467 PWs) bands (ev): -47.9540 -47.9540 -22.9634 -22.9632 -20.0123 -20.0096 -19.8458 -19.8441 -19.8171 -19.8130 -18.3678 -18.3678 -7.9995 -7.9990 -5.1199 -5.1169 -4.8028 -4.8024 -4.5301 -4.5262 -0.4798 -0.4775 0.8070 0.8092 1.9834 1.9843 4.8751 4.8767 10.5263 10.5277 10.7826 10.7834 11.4184 11.4185 k = 0.3222 0.6818 0.3009 ( 3465 PWs) bands (ev): -47.9540 -47.9540 -22.9631 -22.9629 -20.0127 -20.0100 -19.8463 -19.8446 -19.8172 -19.8131 -18.3679 -18.3679 -8.0038 -8.0032 -5.1122 -5.1092 -4.8013 -4.8009 -4.5332 -4.5293 -0.4704 -0.4681 0.8111 0.8133 1.9834 1.9843 4.8887 4.8903 10.5311 10.5327 10.7928 10.7941 11.3558 11.3562 k = 0.3330 0.6878 0.2948 ( 3471 PWs) bands (ev): -47.9541 -47.9541 -22.9629 -22.9627 -20.0131 -20.0105 -19.8468 -19.8451 -19.8173 -19.8132 -18.3680 -18.3680 -8.0080 -8.0074 -5.1043 -5.1013 -4.8000 -4.7996 -4.5363 -4.5325 -0.4611 -0.4588 0.8151 0.8173 1.9835 1.9844 4.9024 4.9040 10.5334 10.5351 10.7951 10.7969 11.3021 11.3029 k = 0.3437 0.6937 0.2887 ( 3467 PWs) bands (ev): -47.9541 -47.9541 -22.9627 -22.9625 -20.0134 -20.0109 -19.8472 -19.8455 -19.8173 -19.8133 -18.3681 -18.3681 -8.0121 -8.0115 -5.0962 -5.0932 -4.7988 -4.7984 -4.5394 -4.5356 -0.4520 -0.4497 0.8189 0.8211 1.9836 1.9845 4.9163 4.9179 10.5331 10.5349 10.7851 10.7872 11.2624 11.2635 k = 0.3545 0.6996 0.2825 ( 3469 PWs) bands (ev): -47.9541 -47.9541 -22.9626 -22.9624 -20.0138 -20.0113 -19.8477 -19.8460 -19.8173 -19.8133 -18.3681 -18.3681 -8.0161 -8.0155 -5.0879 -5.0850 -4.7978 -4.7974 -4.5424 -4.5386 -0.4430 -0.4408 0.8225 0.8247 1.9838 1.9847 4.9303 4.9319 10.5299 10.5316 10.7596 10.7616 11.2408 11.2420 k = 0.3545 0.6996 0.2825 ( 3469 PWs) bands (ev): -47.9541 -47.9541 -22.9626 -22.9624 -20.0138 -20.0113 -19.8477 -19.8460 -19.8173 -19.8133 -18.3681 -18.3681 -8.0161 -8.0155 -5.0879 -5.0850 -4.7978 -4.7974 -4.5424 -4.5386 -0.4430 -0.4408 0.8225 0.8247 1.9838 1.9847 4.9303 4.9319 10.5299 10.5316 10.7596 10.7616 11.2408 11.2420 k = 0.3603 0.6945 0.2712 ( 3469 PWs) bands (ev): -47.9541 -47.9541 -22.9625 -22.9623 -20.0144 -20.0120 -19.8485 -19.8468 -19.8172 -19.8132 -18.3681 -18.3681 -8.0234 -8.0228 -5.0724 -5.0696 -4.7962 -4.7958 -4.5477 -4.5441 -0.4266 -0.4244 0.8288 0.8309 1.9840 1.9849 4.9562 4.9577 10.5170 10.5184 10.6997 10.7012 11.2192 11.2204 k = 0.3661 0.6894 0.2599 ( 3469 PWs) bands (ev): -47.9541 -47.9541 -22.9624 -22.9622 -20.0150 -20.0127 -19.8493 -19.8476 -19.8170 -19.8132 -18.3680 -18.3680 -8.0306 -8.0301 -5.0565 -5.0538 -4.7946 -4.7942 -4.5531 -4.5496 -0.4101 -0.4079 0.8349 0.8370 1.9840 1.9849 4.9823 4.9837 10.4957 10.4965 10.6450 10.6457 11.1982 11.1993 k = 0.3719 0.6843 0.2486 ( 3473 PWs) bands (ev): -47.9542 -47.9542 -22.9623 -22.9622 -20.0157 -20.0135 -19.8501 -19.8484 -19.8169 -19.8132 -18.3680 -18.3680 -8.0377 -8.0372 -5.0404 -5.0377 -4.7932 -4.7928 -4.5584 -4.5550 -0.3936 -0.3914 0.8407 0.8428 1.9838 1.9848 5.0085 5.0099 10.4634 10.4635 10.5982 10.5984 11.1778 11.1789 k = 0.3777 0.6792 0.2373 ( 3481 PWs) bands (ev): -47.9542 -47.9542 -22.9623 -22.9622 -20.0163 -20.0142 -19.8509 -19.8492 -19.8167 -19.8131 -18.3678 -18.3678 -8.0447 -8.0442 -5.0242 -5.0216 -4.7918 -4.7914 -4.5636 -4.5603 -0.3770 -0.3748 0.8463 0.8484 1.9835 1.9844 5.0347 5.0360 10.4186 10.4194 10.5602 10.5611 11.1581 11.1592 k = 0.3836 0.6741 0.2260 ( 3473 PWs) bands (ev): -47.9542 -47.9542 -22.9623 -22.9622 -20.0169 -20.0149 -19.8516 -19.8500 -19.8165 -19.8130 -18.3677 -18.3677 -8.0516 -8.0510 -5.0078 -5.0053 -4.7905 -4.7902 -4.5688 -4.5656 -0.3604 -0.3583 0.8517 0.8537 1.9831 1.9840 5.0609 5.0621 10.3652 10.3664 10.5294 10.5309 11.1392 11.1402 k = 0.3894 0.6691 0.2147 ( 3469 PWs) bands (ev): -47.9543 -47.9543 -22.9623 -22.9622 -20.0175 -20.0157 -19.8524 -19.8507 -19.8163 -19.8129 -18.3675 -18.3675 -8.0582 -8.0577 -4.9915 -4.9890 -4.7893 -4.7890 -4.5738 -4.5707 -0.3441 -0.3420 0.8568 0.8588 1.9825 1.9834 5.0868 5.0880 10.3072 10.3085 10.5025 10.5042 11.1212 11.1221 k = 0.3952 0.6640 0.2034 ( 3469 PWs) bands (ev): -47.9543 -47.9543 -22.9624 -22.9623 -20.0182 -20.0164 -19.8530 -19.8514 -19.8161 -19.8129 -18.3674 -18.3674 -8.0647 -8.0642 -4.9753 -4.9729 -4.7882 -4.7879 -4.5787 -4.5757 -0.3279 -0.3259 0.8616 0.8635 1.9818 1.9826 5.1124 5.1135 10.2473 10.2486 10.4774 10.4791 11.1040 11.1050 k = 0.4010 0.6589 0.1921 ( 3461 PWs) bands (ev): -47.9543 -47.9543 -22.9625 -22.9623 -20.0188 -20.0171 -19.8537 -19.8521 -19.8158 -19.8127 -18.3672 -18.3672 -8.0710 -8.0705 -4.9593 -4.9570 -4.7872 -4.7868 -4.5834 -4.5806 -0.3121 -0.3101 0.8662 0.8681 1.9810 1.9818 5.1375 5.1386 10.1870 10.1883 10.4530 10.4547 11.0878 11.0887 k = 0.4069 0.6538 0.1808 ( 3459 PWs) bands (ev): -47.9543 -47.9543 -22.9625 -22.9624 -20.0194 -20.0178 -19.8543 -19.8528 -19.8155 -19.8126 -18.3670 -18.3670 -8.0770 -8.0765 -4.9435 -4.9413 -4.7862 -4.7859 -4.5880 -4.5853 -0.2966 -0.2948 0.8706 0.8724 1.9801 1.9809 5.1621 5.1631 10.1275 10.1287 10.4291 10.4307 11.0726 11.0735 k = 0.4127 0.6487 0.1695 ( 3447 PWs) bands (ev): -47.9543 -47.9543 -22.9626 -22.9625 -20.0199 -20.0185 -19.8549 -19.8534 -19.8152 -19.8125 -18.3668 -18.3668 -8.0827 -8.0823 -4.9282 -4.9261 -4.7853 -4.7850 -4.5924 -4.5898 -0.2817 -0.2798 0.8747 0.8764 1.9792 1.9800 5.1860 5.1869 10.0692 10.0704 10.4055 10.4070 11.0584 11.0592 k = 0.4185 0.6436 0.1582 ( 3449 PWs) bands (ev): -47.9544 -47.9544 -22.9627 -22.9626 -20.0205 -20.0192 -19.8554 -19.8541 -19.8149 -19.8124 -18.3666 -18.3666 -8.0882 -8.0878 -4.9134 -4.9113 -4.7845 -4.7842 -4.5966 -4.5941 -0.2672 -0.2655 0.8785 0.8802 1.9783 1.9791 5.2090 5.2099 10.0129 10.0139 10.3825 10.3839 11.0451 11.0459 k = 0.4243 0.6386 0.1469 ( 3449 PWs) bands (ev): -47.9544 -47.9544 -22.9628 -22.9627 -20.0211 -20.0198 -19.8560 -19.8547 -19.8147 -19.8123 -18.3664 -18.3664 -8.0934 -8.0930 -4.8991 -4.8971 -4.7837 -4.7834 -4.6006 -4.5983 -0.2534 -0.2518 0.8821 0.8837 1.9773 1.9780 5.2311 5.2319 9.9587 9.9596 10.3601 10.3614 11.0327 11.0334 k = 0.4301 0.6335 0.1356 ( 3449 PWs) bands (ev): -47.9544 -47.9544 -22.9629 -22.9628 -20.0216 -20.0205 -19.8565 -19.8552 -19.8144 -19.8122 -18.3662 -18.3662 -8.0983 -8.0979 -4.8855 -4.8836 -4.7830 -4.7828 -4.6044 -4.6021 -0.2403 -0.2388 0.8854 0.8869 1.9763 1.9770 5.2521 5.2529 9.9072 9.9080 10.3386 10.3397 11.0065 11.0078 k = 0.4360 0.6284 0.1243 ( 3441 PWs) bands (ev): -47.9544 -47.9544 -22.9631 -22.9630 -20.0221 -20.0210 -19.8569 -19.8558 -19.8141 -19.8121 -18.3660 -18.3660 -8.1028 -8.1025 -4.8726 -4.8708 -4.7824 -4.7821 -4.6079 -4.6058 -0.2279 -0.2265 0.8884 0.8898 1.9754 1.9760 5.2720 5.2727 9.8587 9.8594 10.3180 10.3191 10.9669 10.9681 k = 0.4418 0.6233 0.1130 ( 3449 PWs) bands (ev): -47.9545 -47.9545 -22.9632 -22.9631 -20.0226 -20.0216 -19.8573 -19.8563 -19.8139 -19.8121 -18.3658 -18.3658 -8.1071 -8.1067 -4.8605 -4.8589 -4.7818 -4.7816 -4.6112 -4.6092 -0.2164 -0.2151 0.8912 0.8925 1.9745 1.9750 5.2906 5.2912 9.8134 9.8140 10.2987 10.2997 10.9303 10.9314 k = 0.4476 0.6182 0.1017 ( 3449 PWs) bands (ev): -47.9545 -47.9545 -22.9633 -22.9632 -20.0230 -20.0222 -19.8577 -19.8567 -19.8137 -19.8120 -18.3656 -18.3656 -8.1109 -8.1106 -4.8494 -4.8478 -4.7813 -4.7811 -4.6142 -4.6123 -0.2057 -0.2045 0.8937 0.8949 1.9736 1.9741 5.3077 5.3083 9.7716 9.7722 10.2807 10.2816 10.8969 10.8979 k = 0.4534 0.6131 0.0904 ( 3453 PWs) bands (ev): -47.9545 -47.9545 -22.9634 -22.9633 -20.0234 -20.0227 -19.8580 -19.8572 -19.8135 -19.8120 -18.3654 -18.3654 -8.1144 -8.1141 -4.8392 -4.8377 -4.7809 -4.7807 -4.6169 -4.6152 -0.1960 -0.1949 0.8960 0.8970 1.9727 1.9732 5.3234 5.3239 9.7336 9.7341 10.2643 10.2650 10.8668 10.8677 k = 0.4592 0.6080 0.0791 ( 3455 PWs) bands (ev): -47.9545 -47.9545 -22.9635 -22.9634 -20.0238 -20.0231 -19.8583 -19.8576 -19.8133 -19.8119 -18.3653 -18.3653 -8.1175 -8.1172 -4.8300 -4.8287 -4.7805 -4.7803 -4.6193 -4.6178 -0.1873 -0.1863 0.8980 0.8989 1.9720 1.9724 5.3375 5.3380 9.6996 9.7000 10.2495 10.2501 10.8401 10.8409 k = 0.4651 0.6030 0.0678 ( 3453 PWs) bands (ev): -47.9545 -47.9545 -22.9636 -22.9635 -20.0241 -20.0235 -19.8585 -19.8579 -19.8130 -19.8119 -18.3652 -18.3652 -8.1202 -8.1200 -4.8219 -4.8207 -4.7801 -4.7800 -4.6214 -4.6201 -0.1797 -0.1788 0.8997 0.9005 1.9713 1.9716 5.3500 5.3504 9.6697 9.6700 10.2364 10.2369 10.8169 10.8175 k = 0.4709 0.5979 0.0565 ( 3445 PWs) bands (ev): -47.9545 -47.9545 -22.9636 -22.9636 -20.0243 -20.0238 -19.8587 -19.8582 -19.8128 -19.8119 -18.3650 -18.3650 -8.1225 -8.1223 -4.8149 -4.8139 -4.7798 -4.7797 -4.6231 -4.6220 -0.1731 -0.1724 0.9012 0.9019 1.9707 1.9710 5.3607 5.3610 9.6441 9.6444 10.2252 10.2256 10.7971 10.7976 k = 0.4767 0.5928 0.0452 ( 3445 PWs) bands (ev): -47.9545 -47.9545 -22.9637 -22.9636 -20.0245 -20.0241 -19.8589 -19.8584 -19.8126 -19.8119 -18.3649 -18.3649 -8.1243 -8.1242 -4.8091 -4.8083 -4.7795 -4.7794 -4.6246 -4.6236 -0.1676 -0.1671 0.9024 0.9030 1.9702 1.9705 5.3695 5.3697 9.6230 9.6232 10.2159 10.2162 10.7809 10.7813 k = 0.4825 0.5877 0.0339 ( 3445 PWs) bands (ev): -47.9545 -47.9545 -22.9637 -22.9637 -20.0247 -20.0244 -19.8590 -19.8586 -19.8125 -19.8119 -18.3649 -18.3649 -8.1258 -8.1257 -4.8046 -4.8040 -4.7793 -4.7792 -4.6256 -4.6249 -0.1634 -0.1629 0.9034 0.9038 1.9699 1.9701 5.3764 5.3766 9.6065 9.6067 10.2086 10.2089 10.7682 10.7685 k = 0.4884 0.5826 0.0226 ( 3433 PWs) bands (ev): -47.9545 -47.9545 -22.9638 -22.9637 -20.0247 -20.0245 -19.8590 -19.8587 -19.8122 -19.8119 -18.3648 -18.3648 -8.1269 -8.1268 -4.8013 -4.8009 -4.7791 -4.7790 -4.6264 -4.6259 -0.1602 -0.1599 0.9041 0.9044 1.9696 1.9698 5.3814 5.3816 9.5946 9.5948 10.2034 10.2036 10.7592 10.7594 k = 0.4942 0.5775 0.0113 ( 3438 PWs) bands (ev): -47.9545 -47.9545 -22.9638 -22.9638 -20.0248 -20.0247 -19.8590 -19.8589 -19.8122 -19.8120 -18.3648 -18.3648 -8.1275 -8.1275 -4.7993 -4.7991 -4.7790 -4.7790 -4.6268 -4.6266 -0.1583 -0.1581 0.9045 0.9047 1.9695 1.9695 5.3844 5.3845 9.5875 9.5876 10.2002 10.2003 10.7538 10.7539 k = 0.5000 0.5724-0.0000 ( 3442 PWs) bands (ev): -47.9545 -47.9545 -22.9638 -22.9638 -20.0248 -20.0248 -19.8590 -19.8590 -19.8121 -19.8121 -18.3648 -18.3648 -8.1277 -8.1277 -4.7986 -4.7986 -4.7789 -4.7789 -4.6269 -4.6269 -0.1576 -0.1576 0.9047 0.9047 1.9694 1.9694 5.3855 5.3855 9.5852 9.5852 10.1992 10.1992 10.7520 10.7520 k = 0.5000 0.5724-0.0000 ( 3442 PWs) bands (ev): -47.9545 -47.9545 -22.9638 -22.9638 -20.0248 -20.0248 -19.8590 -19.8590 -19.8121 -19.8121 -18.3648 -18.3648 -8.1277 -8.1277 -4.7986 -4.7986 -4.7789 -4.7789 -4.6269 -4.6269 -0.1576 -0.1576 0.9047 0.9047 1.9694 1.9694 5.3855 5.3855 9.5852 9.5852 10.1992 10.1992 10.7520 10.7520 k = 0.4911 0.5622-0.0000 ( 3442 PWs) bands (ev): -47.9545 -47.9545 -22.9638 -22.9638 -20.0247 -20.0247 -19.8590 -19.8590 -19.8120 -19.8120 -18.3647 -18.3647 -8.1276 -8.1276 -4.7984 -4.7984 -4.7791 -4.7791 -4.6268 -4.6268 -0.1578 -0.1578 0.9043 0.9043 1.9693 1.9693 5.3851 5.3851 9.5786 9.5786 10.2004 10.2004 10.7538 10.7538 k = 0.4821 0.5520-0.0000 ( 3442 PWs) bands (ev): -47.9545 -47.9545 -22.9640 -22.9640 -20.0247 -20.0247 -19.8589 -19.8589 -19.8120 -19.8120 -18.3646 -18.3646 -8.1272 -8.1272 -4.7980 -4.7980 -4.7796 -4.7796 -4.6267 -4.6267 -0.1585 -0.1585 0.9031 0.9031 1.9689 1.9689 5.3841 5.3841 9.5595 9.5595 10.2041 10.2041 10.7593 10.7593 k = 0.4732 0.5418-0.0000 ( 3446 PWs) bands (ev): -47.9546 -47.9546 -22.9643 -22.9643 -20.0245 -20.0245 -19.8588 -19.8588 -19.8119 -19.8119 -18.3644 -18.3644 -8.1266 -8.1266 -4.7972 -4.7972 -4.7803 -4.7803 -4.6265 -4.6265 -0.1595 -0.1595 0.9011 0.9011 1.9683 1.9683 5.3824 5.3824 9.5291 9.5291 10.2099 10.2099 10.7684 10.7684 k = 0.4643 0.5316-0.0000 ( 3454 PWs) bands (ev): -47.9546 -47.9546 -22.9647 -22.9647 -20.0244 -20.0244 -19.8586 -19.8586 -19.8118 -19.8118 -18.3642 -18.3642 -8.1257 -8.1257 -4.7961 -4.7961 -4.7814 -4.7814 -4.6262 -4.6262 -0.1609 -0.1609 0.8983 0.8983 1.9673 1.9673 5.3800 5.3800 9.4891 9.4891 10.2176 10.2176 10.7812 10.7812 k = 0.4554 0.5213-0.0000 ( 3444 PWs) bands (ev): -47.9546 -47.9546 -22.9652 -22.9652 -20.0241 -20.0241 -19.8584 -19.8584 -19.8116 -19.8116 -18.3638 -18.3638 -8.1246 -8.1246 -4.7947 -4.7947 -4.7827 -4.7827 -4.6258 -4.6258 -0.1628 -0.1628 0.8948 0.8948 1.9662 1.9662 5.3770 5.3770 9.4414 9.4414 10.2271 10.2271 10.7975 10.7975 k = 0.4464 0.5111-0.0000 ( 3436 PWs) bands (ev): -47.9545 -47.9545 -22.9659 -22.9659 -20.0238 -20.0238 -19.8581 -19.8581 -19.8114 -19.8114 -18.3634 -18.3634 -8.1232 -8.1232 -4.7932 -4.7932 -4.7842 -4.7842 -4.6254 -4.6254 -0.1650 -0.1650 0.8905 0.8905 1.9648 1.9648 5.3734 5.3734 9.3878 9.3878 10.2384 10.2384 10.8175 10.8175 k = 0.4375 0.5009-0.0000 ( 3432 PWs) bands (ev): -47.9545 -47.9545 -22.9666 -22.9666 -20.0235 -20.0235 -19.8577 -19.8577 -19.8111 -19.8111 -18.3630 -18.3630 -8.1215 -8.1215 -4.7916 -4.7916 -4.7856 -4.7856 -4.6248 -4.6248 -0.1676 -0.1676 0.8854 0.8854 1.9630 1.9630 5.3691 5.3691 9.3298 9.3298 10.2513 10.2513 10.8410 10.8410 k = 0.4286 0.4907-0.0000 ( 3438 PWs) bands (ev): -47.9546 -47.9546 -22.9675 -22.9675 -20.0232 -20.0232 -19.8574 -19.8574 -19.8109 -19.8109 -18.3624 -18.3624 -8.1196 -8.1196 -4.7911 -4.7911 -4.7860 -4.7860 -4.6243 -4.6243 -0.1706 -0.1706 0.8796 0.8796 1.9609 1.9609 5.3642 5.3642 9.2685 9.2685 10.2658 10.2658 10.8681 10.8681 k = 0.4196 0.4804-0.0000 ( 3434 PWs) bands (ev): -47.9546 -47.9546 -22.9684 -22.9684 -20.0227 -20.0227 -19.8570 -19.8570 -19.8105 -19.8105 -18.3618 -18.3618 -8.1174 -8.1174 -4.7926 -4.7926 -4.7844 -4.7844 -4.6236 -4.6236 -0.1739 -0.1739 0.8731 0.8731 1.9584 1.9584 5.3587 5.3587 9.2051 9.2051 10.2820 10.2820 10.8987 10.8987 k = 0.4107 0.4702-0.0000 ( 3440 PWs) bands (ev): -47.9546 -47.9546 -22.9694 -22.9694 -20.0223 -20.0223 -19.8566 -19.8566 -19.8102 -19.8102 -18.3611 -18.3611 -8.1150 -8.1150 -4.7951 -4.7951 -4.7818 -4.7818 -4.6229 -4.6229 -0.1776 -0.1776 0.8659 0.8659 1.9556 1.9556 5.3526 5.3526 9.1402 9.1402 10.3000 10.3000 10.9328 10.9328 k = 0.4018 0.4600-0.0000 ( 3440 PWs) bands (ev): -47.9546 -47.9546 -22.9706 -22.9706 -20.0218 -20.0218 -19.8561 -19.8561 -19.8099 -19.8099 -18.3604 -18.3604 -8.1122 -8.1122 -4.7981 -4.7981 -4.7787 -4.7787 -4.6221 -4.6221 -0.1817 -0.1817 0.8581 0.8581 1.9524 1.9524 5.3459 5.3459 9.0746 9.0746 10.3198 10.3198 10.9703 10.9703 k = 0.3929 0.4498-0.0000 ( 3434 PWs) bands (ev): -47.9546 -47.9546 -22.9718 -22.9718 -20.0213 -20.0213 -19.8556 -19.8556 -19.8095 -19.8095 -18.3596 -18.3596 -8.1092 -8.1092 -4.8014 -4.8014 -4.7752 -4.7752 -4.6213 -4.6213 -0.1861 -0.1861 0.8497 0.8497 1.9489 1.9489 5.3387 5.3387 9.0088 9.0088 10.3414 10.3414 11.0112 11.0112 k = 0.3839 0.4396 0.0000 ( 3442 PWs) bands (ev): -47.9546 -47.9546 -22.9731 -22.9731 -20.0208 -20.0208 -19.8551 -19.8551 -19.8092 -19.8092 -18.3587 -18.3587 -8.1059 -8.1059 -4.8050 -4.8050 -4.7715 -4.7715 -4.6205 -4.6205 -0.1908 -0.1908 0.8406 0.8406 1.9448 1.9448 5.3310 5.3310 8.9431 8.9431 10.3649 10.3649 11.0554 11.0554 k = 0.3750 0.4293-0.0000 ( 3442 PWs) bands (ev): -47.9546 -47.9546 -22.9744 -22.9744 -20.0202 -20.0202 -19.8546 -19.8546 -19.8088 -19.8088 -18.3577 -18.3577 -8.1023 -8.1023 -4.8089 -4.8089 -4.7675 -4.7675 -4.6195 -4.6195 -0.1958 -0.1958 0.8310 0.8310 1.9403 1.9403 5.3228 5.3228 8.8779 8.8779 10.3903 10.3903 11.1029 11.1029 k = 0.3661 0.4191-0.0000 ( 3446 PWs) bands (ev): -47.9546 -47.9546 -22.9758 -22.9758 -20.0196 -20.0196 -19.8540 -19.8540 -19.8084 -19.8084 -18.3567 -18.3567 -8.0984 -8.0984 -4.8130 -4.8130 -4.7633 -4.7633 -4.6186 -4.6186 -0.2011 -0.2011 0.8209 0.8209 1.9354 1.9354 5.3141 5.3141 8.8134 8.8134 10.4177 10.4177 11.1536 11.1536 k = 0.3571 0.4089-0.0000 ( 3458 PWs) bands (ev): -47.9546 -47.9546 -22.9773 -22.9773 -20.0191 -20.0191 -19.8535 -19.8535 -19.8080 -19.8080 -18.3557 -18.3557 -8.0942 -8.0942 -4.8173 -4.8173 -4.7588 -4.7588 -4.6176 -4.6176 -0.2067 -0.2067 0.8103 0.8103 1.9299 1.9299 5.3049 5.3049 8.7500 8.7500 10.4470 10.4470 11.2075 11.2075 k = 0.3482 0.3987-0.0000 ( 3466 PWs) bands (ev): -47.9547 -47.9547 -22.9788 -22.9788 -20.0185 -20.0185 -19.8529 -19.8529 -19.8077 -19.8077 -18.3546 -18.3546 -8.0898 -8.0898 -4.8218 -4.8218 -4.7541 -4.7541 -4.6166 -4.6166 -0.2125 -0.2125 0.7992 0.7992 1.9239 1.9239 5.2954 5.2954 8.6877 8.6877 10.4784 10.4784 11.2645 11.2645 k = 0.3393 0.3884-0.0000 ( 3466 PWs) bands (ev): -47.9547 -47.9547 -22.9804 -22.9804 -20.0179 -20.0179 -19.8523 -19.8523 -19.8073 -19.8073 -18.3534 -18.3534 -8.0850 -8.0850 -4.8265 -4.8265 -4.7492 -4.7492 -4.6155 -4.6155 -0.2185 -0.2185 0.7878 0.7878 1.9174 1.9174 5.2855 5.2855 8.6267 8.6267 10.5118 10.5118 11.3245 11.3245 k = 0.3304 0.3782-0.0000 ( 3466 PWs) bands (ev): -47.9547 -47.9547 -22.9820 -22.9820 -20.0172 -20.0172 -19.8517 -19.8517 -19.8069 -19.8069 -18.3522 -18.3522 -8.0799 -8.0799 -4.8314 -4.8314 -4.7441 -4.7441 -4.6145 -4.6145 -0.2248 -0.2248 0.7760 0.7760 1.9104 1.9104 5.2752 5.2752 8.5672 8.5672 10.5473 10.5473 11.3875 11.3875 k = 0.3214 0.3680-0.0000 ( 3474 PWs) bands (ev): -47.9547 -47.9547 -22.9836 -22.9836 -20.0166 -20.0166 -19.8511 -19.8511 -19.8065 -19.8065 -18.3509 -18.3509 -8.0746 -8.0746 -4.8364 -4.8364 -4.7388 -4.7388 -4.6134 -4.6134 -0.2312 -0.2312 0.7639 0.7639 1.9027 1.9027 5.2646 5.2646 8.5092 8.5092 10.5849 10.5849 11.4534 11.4534 k = 0.3125 0.3578-0.0000 ( 3464 PWs) bands (ev): -47.9547 -47.9547 -22.9853 -22.9853 -20.0159 -20.0159 -19.8504 -19.8504 -19.8061 -19.8061 -18.3496 -18.3496 -8.0689 -8.0689 -4.8416 -4.8416 -4.7333 -4.7333 -4.6122 -4.6122 -0.2377 -0.2377 0.7515 0.7515 1.8945 1.8945 5.2538 5.2538 8.4529 8.4529 10.6245 10.6245 11.5220 11.5220 k = 0.3036 0.3476-0.0000 ( 3470 PWs) bands (ev): -47.9547 -47.9547 -22.9869 -22.9869 -20.0153 -20.0153 -19.8498 -19.8498 -19.8058 -19.8058 -18.3483 -18.3483 -8.0630 -8.0630 -4.8469 -4.8469 -4.7278 -4.7278 -4.6111 -4.6111 -0.2445 -0.2445 0.7388 0.7388 1.8858 1.8858 5.2427 5.2427 8.3983 8.3983 10.6662 10.6662 11.5934 11.5934 k = 0.2946 0.3373-0.0000 ( 3472 PWs) bands (ev): -47.9547 -47.9547 -22.9886 -22.9886 -20.0146 -20.0146 -19.8492 -19.8492 -19.8054 -19.8054 -18.3469 -18.3469 -8.0568 -8.0568 -4.8524 -4.8524 -4.7221 -4.7221 -4.6100 -4.6100 -0.2513 -0.2513 0.7260 0.7260 1.8764 1.8764 5.2314 5.2314 8.3454 8.3454 10.7099 10.7099 11.6674 11.6674 k = 0.2857 0.3271-0.0000 ( 3472 PWs) bands (ev): -47.9547 -47.9547 -22.9903 -22.9903 -20.0140 -20.0140 -19.8485 -19.8485 -19.8051 -19.8051 -18.3455 -18.3455 -8.0503 -8.0503 -4.8579 -4.8579 -4.7162 -4.7162 -4.6089 -4.6089 -0.2583 -0.2583 0.7130 0.7130 1.8665 1.8665 5.2200 5.2200 8.2945 8.2945 10.7557 10.7557 11.7439 11.7439 k = 0.2768 0.3169-0.0000 ( 3476 PWs) bands (ev): -47.9547 -47.9547 -22.9919 -22.9919 -20.0134 -20.0134 -19.8479 -19.8479 -19.8049 -19.8049 -18.3440 -18.3440 -8.0436 -8.0436 -4.8635 -4.8635 -4.7103 -4.7103 -4.6077 -4.6077 -0.2653 -0.2653 0.6998 0.6998 1.8560 1.8560 5.2084 5.2084 8.2454 8.2454 10.8035 10.8035 11.8228 11.8228 k = 0.2679 0.3067-0.0000 ( 3476 PWs) bands (ev): -47.9548 -47.9548 -22.9936 -22.9936 -20.0127 -20.0127 -19.8473 -19.8473 -19.8046 -19.8046 -18.3426 -18.3426 -8.0367 -8.0367 -4.8691 -4.8691 -4.7044 -4.7044 -4.6066 -4.6066 -0.2724 -0.2724 0.6866 0.6866 1.8451 1.8451 5.1967 5.1967 8.1982 8.1982 10.8532 10.8532 11.9040 11.9040 k = 0.2589 0.2964-0.0000 ( 3472 PWs) bands (ev): -47.9548 -47.9548 -22.9952 -22.9952 -20.0121 -20.0121 -19.8467 -19.8467 -19.8044 -19.8044 -18.3411 -18.3411 -8.0296 -8.0296 -4.8748 -4.8748 -4.6983 -4.6983 -4.6054 -4.6054 -0.2795 -0.2795 0.6734 0.6734 1.8336 1.8336 5.1850 5.1850 8.1530 8.1530 10.9049 10.9049 11.9874 11.9874 k = 0.2500 0.2862-0.0000 ( 3474 PWs) bands (ev): -47.9548 -47.9548 -22.9968 -22.9968 -20.0115 -20.0115 -19.8461 -19.8461 -19.8042 -19.8042 -18.3395 -18.3395 -8.0222 -8.0222 -4.8806 -4.8806 -4.6923 -4.6923 -4.6043 -4.6043 -0.2866 -0.2866 0.6602 0.6602 1.8216 1.8216 5.1732 5.1732 8.1098 8.1098 10.9585 10.9585 12.0730 12.0730 k = 0.2411 0.2760-0.0000 ( 3470 PWs) bands (ev): -47.9548 -47.9548 -22.9984 -22.9984 -20.0109 -20.0109 -19.8455 -19.8455 -19.8040 -19.8040 -18.3380 -18.3380 -8.0147 -8.0147 -4.8863 -4.8863 -4.6862 -4.6862 -4.6031 -4.6031 -0.2937 -0.2937 0.6471 0.6471 1.8091 1.8091 5.1614 5.1614 8.0685 8.0685 11.0140 11.0140 12.1604 12.1604 k = 0.2321 0.2658-0.0000 ( 3470 PWs) bands (ev): -47.9548 -47.9548 -22.9999 -22.9999 -20.0104 -20.0104 -19.8449 -19.8449 -19.8039 -19.8039 -18.3365 -18.3365 -8.0071 -8.0071 -4.8920 -4.8920 -4.6801 -4.6801 -4.6020 -4.6020 -0.3008 -0.3008 0.6341 0.6341 1.7963 1.7963 5.1497 5.1497 8.0291 8.0291 11.0711 11.0711 12.2497 12.2497 k = 0.2232 0.2556-0.0000 ( 3460 PWs) bands (ev): -47.9548 -47.9548 -23.0014 -23.0014 -20.0098 -20.0098 -19.8443 -19.8443 -19.8038 -19.8038 -18.3350 -18.3350 -7.9993 -7.9993 -4.8977 -4.8977 -4.6741 -4.6741 -4.6009 -4.6009 -0.3078 -0.3078 0.6212 0.6212 1.7831 1.7831 5.1381 5.1381 7.9918 7.9918 11.1300 11.1300 12.3406 12.3406 k = 0.2143 0.2453-0.0000 ( 3458 PWs) bands (ev): -47.9548 -47.9548 -23.0029 -23.0029 -20.0093 -20.0093 -19.8438 -19.8438 -19.8037 -19.8037 -18.3334 -18.3334 -7.9915 -7.9915 -4.9033 -4.9033 -4.6681 -4.6681 -4.5997 -4.5997 -0.3147 -0.3147 0.6085 0.6085 1.7696 1.7696 5.1266 5.1266 7.9564 7.9564 11.1905 11.1905 12.4331 12.4331 k = 0.2054 0.2351-0.0000 ( 3464 PWs) bands (ev): -47.9548 -47.9548 -23.0043 -23.0043 -20.0088 -20.0088 -19.8433 -19.8433 -19.8038 -19.8038 -18.3319 -18.3319 -7.9835 -7.9835 -4.9089 -4.9089 -4.6622 -4.6622 -4.5987 -4.5987 -0.3215 -0.3215 0.5959 0.5959 1.7558 1.7558 5.1152 5.1152 7.9229 7.9229 11.2525 11.2525 12.5268 12.5268 k = 0.1964 0.2249-0.0000 ( 3464 PWs) bands (ev): -47.9548 -47.9548 -23.0057 -23.0057 -20.0084 -20.0084 -19.8428 -19.8428 -19.8038 -19.8038 -18.3304 -18.3304 -7.9756 -7.9756 -4.9144 -4.9144 -4.6563 -4.6563 -4.5976 -4.5976 -0.3282 -0.3282 0.5837 0.5837 1.7418 1.7418 5.1041 5.1041 7.8913 7.8913 11.3158 11.3158 12.6218 12.6218 k = 0.1875 0.2147-0.0000 ( 3462 PWs) bands (ev): -47.9548 -47.9548 -23.0070 -23.0070 -20.0079 -20.0079 -19.8423 -19.8423 -19.8038 -19.8038 -18.3289 -18.3289 -7.9677 -7.9677 -4.9198 -4.9198 -4.6506 -4.6506 -4.5965 -4.5965 -0.3348 -0.3348 0.5717 0.5717 1.7277 1.7277 5.0932 5.0932 7.8616 7.8616 11.3805 11.3805 12.7177 12.7177 k = 0.1786 0.2044-0.0000 ( 3462 PWs) bands (ev): -47.9548 -47.9548 -23.0083 -23.0083 -20.0075 -20.0075 -19.8418 -19.8418 -19.8039 -19.8039 -18.3275 -18.3275 -7.9597 -7.9597 -4.9251 -4.9251 -4.6450 -4.6450 -4.5954 -4.5954 -0.3412 -0.3412 0.5600 0.5600 1.7135 1.7135 5.0825 5.0825 7.8337 7.8337 11.4462 11.4462 12.8144 12.8144 k = 0.1696 0.1942-0.0000 ( 3466 PWs) bands (ev): -47.9549 -47.9549 -23.0095 -23.0095 -20.0072 -20.0072 -19.8414 -19.8414 -19.8040 -19.8040 -18.3260 -18.3260 -7.9519 -7.9519 -4.9302 -4.9302 -4.6395 -4.6395 -4.5944 -4.5944 -0.3475 -0.3475 0.5487 0.5487 1.6993 1.6993 5.0721 5.0721 7.8076 7.8076 11.5130 11.5130 12.9116 12.9116 k = 0.1607 0.1840-0.0000 ( 3478 PWs) bands (ev): -47.9549 -47.9549 -23.0107 -23.0107 -20.0068 -20.0068 -19.8410 -19.8410 -19.8042 -19.8042 -18.3247 -18.3247 -7.9442 -7.9442 -4.9352 -4.9352 -4.6342 -4.6342 -4.5934 -4.5934 -0.3535 -0.3535 0.5378 0.5378 1.6852 1.6852 5.0620 5.0620 7.7833 7.7833 11.5806 11.5806 13.0091 13.0091 k = 0.1518 0.1738-0.0000 ( 3478 PWs) bands (ev): -47.9549 -47.9549 -23.0118 -23.0118 -20.0065 -20.0065 -19.8406 -19.8406 -19.8044 -19.8044 -18.3233 -18.3233 -7.9366 -7.9366 -4.9401 -4.9401 -4.6291 -4.6291 -4.5924 -4.5924 -0.3593 -0.3593 0.5272 0.5272 1.6713 1.6713 5.0523 5.0523 7.7607 7.7607 11.6488 11.6488 13.1065 13.1065 k = 0.1429 0.1636-0.0000 ( 3478 PWs) bands (ev): -47.9549 -47.9549 -23.0128 -23.0128 -20.0062 -20.0062 -19.8402 -19.8402 -19.8046 -19.8046 -18.3220 -18.3220 -7.9292 -7.9292 -4.9447 -4.9447 -4.6242 -4.6242 -4.5914 -4.5914 -0.3649 -0.3649 0.5172 0.5172 1.6576 1.6576 5.0430 5.0430 7.7397 7.7397 11.7174 11.7174 13.2037 13.2037 k = 0.1339 0.1533-0.0000 ( 3478 PWs) bands (ev): -47.9549 -47.9549 -23.0138 -23.0138 -20.0060 -20.0060 -19.8398 -19.8398 -19.8047 -19.8047 -18.3207 -18.3207 -7.9221 -7.9221 -4.9491 -4.9491 -4.6196 -4.6196 -4.5903 -4.5903 -0.3702 -0.3702 0.5076 0.5076 1.6442 1.6442 5.0341 5.0341 7.7204 7.7204 11.7862 11.7862 13.3002 13.3002 k = 0.1250 0.1431-0.0000 ( 3478 PWs) bands (ev): -47.9549 -47.9549 -23.0147 -23.0147 -20.0057 -20.0057 -19.8395 -19.8395 -19.8049 -19.8049 -18.3195 -18.3195 -7.9151 -7.9151 -4.9534 -4.9534 -4.6152 -4.6152 -4.5893 -4.5893 -0.3753 -0.3753 0.4985 0.4985 1.6313 1.6313 5.0256 5.0256 7.7027 7.7027 11.8549 11.8549 13.3957 13.3957 k = 0.1161 0.1329-0.0000 ( 3482 PWs) bands (ev): -47.9549 -47.9549 -23.0156 -23.0156 -20.0055 -20.0055 -19.8392 -19.8392 -19.8051 -19.8051 -18.3184 -18.3184 -7.9085 -7.9085 -4.9574 -4.9574 -4.6111 -4.6111 -4.5883 -4.5883 -0.3801 -0.3801 0.4899 0.4899 1.6188 1.6188 5.0176 5.0176 7.6864 7.6864 11.9232 11.9232 13.4898 13.4898 k = 0.1071 0.1227-0.0000 ( 3482 PWs) bands (ev): -47.9549 -47.9549 -23.0164 -23.0164 -20.0053 -20.0053 -19.8389 -19.8389 -19.8053 -19.8053 -18.3173 -18.3173 -7.9022 -7.9022 -4.9611 -4.9611 -4.6073 -4.6073 -4.5873 -4.5873 -0.3846 -0.3846 0.4819 0.4819 1.6069 1.6069 5.0101 5.0101 7.6716 7.6716 11.9907 11.9907 13.5820 13.5820 k = 0.0982 0.1124-0.0000 ( 3478 PWs) bands (ev): -47.9549 -47.9549 -23.0171 -23.0171 -20.0051 -20.0051 -19.8386 -19.8386 -19.8055 -19.8055 -18.3163 -18.3163 -7.8962 -7.8962 -4.9646 -4.9646 -4.6039 -4.6039 -4.5863 -4.5863 -0.3888 -0.3888 0.4744 0.4744 1.5956 1.5956 5.0031 5.0031 7.6582 7.6582 12.0571 12.0571 13.6717 13.6717 k = 0.0893 0.1022 0.0000 ( 3472 PWs) bands (ev): -47.9549 -47.9549 -23.0177 -23.0177 -20.0049 -20.0049 -19.8383 -19.8383 -19.8057 -19.8057 -18.3154 -18.3154 -7.8907 -7.8907 -4.9678 -4.9678 -4.6007 -4.6007 -4.5851 -4.5851 -0.3926 -0.3926 0.4675 0.4675 1.5850 1.5850 4.9966 4.9966 7.6462 7.6462 12.1219 12.1219 13.7585 13.7585 k = 0.0804 0.0920-0.0000 ( 3470 PWs) bands (ev): -47.9549 -47.9549 -23.0183 -23.0183 -20.0047 -20.0047 -19.8381 -19.8381 -19.8059 -19.8059 -18.3145 -18.3145 -7.8856 -7.8856 -4.9708 -4.9708 -4.5981 -4.5981 -4.5840 -4.5840 -0.3961 -0.3961 0.4613 0.4613 1.5752 1.5752 4.9907 4.9907 7.6355 7.6355 12.1845 12.1845 13.8401 13.8401 k = 0.0714 0.0818-0.0000 ( 3474 PWs) bands (ev): -47.9549 -47.9549 -23.0189 -23.0189 -20.0046 -20.0046 -19.8379 -19.8379 -19.8060 -19.8060 -18.3137 -18.3137 -7.8809 -7.8809 -4.9735 -4.9735 -4.5958 -4.5958 -4.5828 -4.5828 -0.3993 -0.3993 0.4556 0.4556 1.5663 1.5663 4.9854 4.9854 7.6260 7.6260 12.2443 12.2443 13.8302 13.8302 k = 0.0625 0.0716-0.0000 ( 3474 PWs) bands (ev): -47.9549 -47.9549 -23.0193 -23.0193 -20.0045 -20.0045 -19.8378 -19.8378 -19.8062 -19.8062 -18.3130 -18.3130 -7.8767 -7.8767 -4.9759 -4.9759 -4.5939 -4.5939 -4.5816 -4.5816 -0.4021 -0.4021 0.4506 0.4506 1.5582 1.5582 4.9806 4.9806 7.6178 7.6178 12.3005 12.3005 13.8129 13.8129 k = 0.0536 0.0613-0.0000 ( 3474 PWs) bands (ev): -47.9550 -47.9550 -23.0198 -23.0198 -20.0045 -20.0045 -19.8376 -19.8376 -19.8063 -19.8063 -18.3124 -18.3124 -7.8731 -7.8731 -4.9780 -4.9780 -4.5924 -4.5924 -4.5804 -4.5804 -0.4046 -0.4046 0.4462 0.4462 1.5511 1.5511 4.9765 4.9765 7.6108 7.6108 12.3524 12.3524 13.7948 13.7948 k = 0.0446 0.0511-0.0000 ( 3478 PWs) bands (ev): -47.9550 -47.9550 -23.0201 -23.0201 -20.0044 -20.0044 -19.8375 -19.8375 -19.8065 -19.8065 -18.3119 -18.3119 -7.8699 -7.8699 -4.9797 -4.9797 -4.5913 -4.5913 -4.5793 -4.5793 -0.4067 -0.4067 0.4424 0.4424 1.5450 1.5450 4.9729 4.9729 7.6049 7.6049 12.3989 12.3989 13.7767 13.7767 k = 0.0357 0.0409-0.0000 ( 3484 PWs) bands (ev): -47.9550 -47.9550 -23.0204 -23.0204 -20.0044 -20.0044 -19.8374 -19.8374 -19.8066 -19.8066 -18.3115 -18.3115 -7.8673 -7.8673 -4.9812 -4.9812 -4.5904 -4.5904 -4.5783 -4.5783 -0.4084 -0.4084 0.4393 0.4393 1.5400 1.5400 4.9700 4.9700 7.6001 7.6001 12.4391 12.4391 13.7598 13.7598 k = 0.0268 0.0307-0.0000 ( 3492 PWs) bands (ev): -47.9550 -47.9550 -23.0206 -23.0206 -20.0044 -20.0044 -19.8374 -19.8374 -19.8067 -19.8067 -18.3111 -18.3111 -7.8653 -7.8653 -4.9824 -4.9824 -4.5897 -4.5897 -4.5774 -4.5774 -0.4098 -0.4098 0.4369 0.4369 1.5360 1.5360 4.9677 4.9677 7.5964 7.5964 12.4718 12.4718 13.7451 13.7451 k = 0.0179 0.0204-0.0000 ( 3495 PWs) bands (ev): -47.9550 -47.9550 -23.0208 -23.0208 -20.0043 -20.0043 -19.8374 -19.8374 -19.8068 -19.8068 -18.3109 -18.3109 -7.8638 -7.8638 -4.9832 -4.9832 -4.5893 -4.5893 -4.5768 -4.5768 -0.4107 -0.4107 0.4352 0.4352 1.5332 1.5332 4.9661 4.9661 7.5938 7.5938 12.4961 12.4961 13.7337 13.7337 k = 0.0089 0.0102-0.0000 ( 3491 PWs) bands (ev): -47.9550 -47.9550 -23.0209 -23.0209 -20.0043 -20.0043 -19.8373 -19.8373 -19.8068 -19.8068 -18.3108 -18.3108 -7.8630 -7.8630 -4.9837 -4.9837 -4.5890 -4.5890 -4.5764 -4.5764 -0.4113 -0.4113 0.4342 0.4342 1.5315 1.5315 4.9651 4.9651 7.5922 7.5922 12.5110 12.5110 13.7264 13.7264 k = 0.0000 0.0000 0.0000 ( 3477 PWs) bands (ev): -47.9550 -47.9550 -23.0209 -23.0209 -20.0042 -20.0042 -19.8372 -19.8372 -19.8067 -19.8067 -18.3107 -18.3107 -7.8627 -7.8627 -4.9838 -4.9838 -4.5889 -4.5889 -4.5762 -4.5762 -0.4115 -0.4115 0.4339 0.4339 1.5309 1.5309 4.9648 4.9648 7.5917 7.5917 12.5161 12.5161 13.7239 13.7239 k = 0.0000 0.0000 0.0000 ( 3477 PWs) bands (ev): -47.9550 -47.9550 -23.0209 -23.0209 -20.0042 -20.0042 -19.8372 -19.8372 -19.8067 -19.8067 -18.3107 -18.3107 -7.8627 -7.8627 -4.9838 -4.9838 -4.5889 -4.5889 -4.5762 -4.5762 -0.4115 -0.4115 0.4339 0.4339 1.5309 1.5309 4.9648 4.9648 7.5917 7.5917 12.5161 12.5161 13.7239 13.7239 k = 0.0085-0.0074 0.0077 ( 3481 PWs) bands (ev): -47.9550 -47.9550 -23.0209 -23.0209 -20.0043 -20.0042 -19.8373 -19.8371 -19.8068 -19.8067 -18.3109 -18.3109 -7.8622 -7.8621 -4.9866 -4.9857 -4.5880 -4.5872 -4.5756 -4.5754 -0.4114 -0.4114 0.4325 0.4327 1.5313 1.5319 4.9653 4.9653 7.5932 7.5934 12.5164 12.5170 13.7100 13.7100 k = 0.0169-0.0148 0.0154 ( 3491 PWs) bands (ev): -47.9550 -47.9550 -23.0208 -23.0208 -20.0043 -20.0040 -19.8373 -19.8369 -19.8068 -19.8068 -18.3116 -18.3115 -7.8607 -7.8606 -4.9938 -4.9921 -4.5857 -4.5847 -4.5727 -4.5718 -0.4110 -0.4110 0.4285 0.4291 1.5331 1.5343 4.9666 4.9666 7.5980 7.5984 12.5178 12.5191 13.6718 13.6719 k = 0.0254-0.0221 0.0230 ( 3495 PWs) bands (ev): -47.9550 -47.9550 -23.0206 -23.0206 -20.0042 -20.0038 -19.8372 -19.8366 -19.8069 -19.8068 -18.3127 -18.3125 -7.8582 -7.8582 -5.0049 -5.0026 -4.5844 -4.5837 -4.5654 -4.5634 -0.4104 -0.4104 0.4222 0.4230 1.5363 1.5381 4.9688 4.9688 7.6059 7.6066 12.5200 12.5219 13.6168 13.6170 k = 0.0338-0.0295 0.0307 ( 3493 PWs) bands (ev): -47.9550 -47.9550 -23.0204 -23.0203 -20.0040 -20.0035 -19.8369 -19.8362 -19.8069 -19.8068 -18.3142 -18.3140 -7.8548 -7.8547 -5.0193 -5.0164 -4.5845 -4.5840 -4.5538 -4.5508 -0.4095 -0.4095 0.4135 0.4146 1.5409 1.5432 4.9718 4.9718 7.6171 7.6180 12.5225 12.5252 13.5516 13.5520 k = 0.0423-0.0369 0.0384 ( 3485 PWs) bands (ev): -47.9550 -47.9550 -23.0201 -23.0200 -20.0037 -20.0030 -19.8365 -19.8357 -19.8070 -19.8068 -18.3160 -18.3158 -7.8505 -7.8504 -5.0363 -5.0328 -4.5855 -4.5852 -4.5393 -4.5356 -0.4084 -0.4083 0.4027 0.4040 1.5467 1.5495 4.9757 4.9757 7.6313 7.6324 12.5248 12.5283 13.4806 13.4814 k = 0.0507-0.0443 0.0461 ( 3485 PWs) bands (ev): -47.9550 -47.9550 -23.0197 -23.0197 -20.0034 -20.0026 -19.8361 -19.8352 -19.8070 -19.8069 -18.3183 -18.3180 -7.8453 -7.8453 -5.0551 -5.0514 -4.5870 -4.5867 -4.5228 -4.5187 -0.4069 -0.4069 0.3899 0.3914 1.5538 1.5571 4.9804 4.9804 7.6486 7.6499 12.5260 12.5302 13.4067 13.4079 k = 0.0592-0.0517 0.0537 ( 3477 PWs) bands (ev): -47.9550 -47.9550 -23.0192 -23.0192 -20.0029 -20.0021 -19.8355 -19.8345 -19.8071 -19.8069 -18.3209 -18.3206 -7.8394 -7.8393 -5.0753 -5.0712 -4.5889 -4.5887 -4.5052 -4.5006 -0.4053 -0.4053 0.3754 0.3771 1.5621 1.5659 4.9859 4.9860 7.6687 7.6702 12.5250 12.5300 13.3316 13.3332 k = 0.0676-0.0591 0.0614 ( 3477 PWs) bands (ev): -47.9549 -47.9549 -23.0187 -23.0187 -20.0025 -20.0016 -19.8349 -19.8338 -19.8071 -19.8070 -18.3238 -18.3235 -7.8329 -7.8328 -5.0963 -5.0920 -4.5912 -4.5910 -4.4868 -4.4819 -0.4034 -0.4033 0.3592 0.3611 1.5714 1.5757 4.9922 4.9922 7.6916 7.6933 12.5205 12.5263 13.2565 13.2587 k = 0.0761-0.0664 0.0691 ( 3479 PWs) bands (ev): -47.9549 -47.9549 -23.0182 -23.0181 -20.0020 -20.0011 -19.8342 -19.8331 -19.8072 -19.8071 -18.3271 -18.3267 -7.8257 -7.8256 -5.1176 -5.1132 -4.5938 -4.5936 -4.4682 -4.4630 -0.4012 -0.4012 0.3418 0.3439 1.5818 1.5865 4.9993 4.9993 7.7172 7.7190 12.5110 12.5177 13.1824 13.1850 k = 0.0845-0.0738 0.0768 ( 3481 PWs) bands (ev): -47.9549 -47.9549 -23.0175 -23.0175 -20.0014 -20.0006 -19.8334 -19.8323 -19.8073 -19.8072 -18.3306 -18.3302 -7.8182 -7.8180 -5.1390 -5.1345 -4.5967 -4.5966 -4.4497 -4.4443 -0.3988 -0.3988 0.3234 0.3256 1.5931 1.5982 5.0070 5.0070 7.7452 7.7472 12.4952 12.5027 13.1097 13.1128 k = 0.0930-0.0812 0.0844 ( 3495 PWs) bands (ev): -47.9550 -47.9550 -23.0169 -23.0168 -20.0009 -20.0001 -19.8327 -19.8316 -19.8075 -19.8073 -18.3344 -18.3339 -7.8103 -7.8101 -5.1601 -5.1555 -4.5999 -4.5998 -4.4315 -4.4259 -0.3961 -0.3961 0.3042 0.3066 1.6052 1.6107 5.0153 5.0154 7.7755 7.7777 12.4717 12.4798 13.0387 13.0420 k = 0.1014-0.0886 0.0921 ( 3501 PWs) bands (ev): -47.9550 -47.9550 -23.0161 -23.0161 -20.0003 -19.9996 -19.8318 -19.8308 -19.8076 -19.8075 -18.3383 -18.3379 -7.8022 -7.8020 -5.1806 -5.1760 -4.6034 -4.6033 -4.4139 -4.4082 -0.3932 -0.3932 0.2846 0.2871 1.6181 1.6239 5.0243 5.0244 7.8081 7.8104 12.4398 12.4483 12.9691 12.9726 k = 0.1099-0.0960 0.0998 ( 3501 PWs) bands (ev): -47.9550 -47.9550 -23.0153 -23.0152 -19.9996 -19.9991 -19.8308 -19.8300 -19.8077 -19.8076 -18.3424 -18.3420 -7.7940 -7.7939 -5.2003 -5.1956 -4.6071 -4.6070 -4.3971 -4.3913 -0.3900 -0.3900 0.2649 0.2675 1.6317 1.6379 5.0339 5.0339 7.8426 7.8451 12.3991 12.4079 12.9005 12.9040 k = 0.1183-0.1033 0.1075 ( 3497 PWs) bands (ev): -47.9549 -47.9549 -23.0144 -23.0144 -19.9989 -19.9986 -19.8298 -19.8292 -19.8079 -19.8077 -18.3467 -18.3462 -7.7859 -7.7858 -5.2189 -5.2143 -4.6111 -4.6110 -4.3812 -4.3754 -0.3865 -0.3865 0.2453 0.2480 1.6460 1.6524 5.0440 5.0440 7.8790 7.8816 12.3501 12.3588 12.8322 12.8355 k = 0.1268-0.1107 0.1151 ( 3493 PWs) bands (ev): -47.9549 -47.9549 -23.0135 -23.0134 -19.9982 -19.9982 -19.8288 -19.8283 -19.8080 -19.8079 -18.3510 -18.3506 -7.7781 -7.7779 -5.2363 -5.2316 -4.6152 -4.6151 -4.3665 -4.3606 -0.3828 -0.3828 0.2261 0.2289 1.6608 1.6675 5.0546 5.0546 7.9171 7.9199 12.2936 12.3021 12.7633 12.7662 k = 0.1352-0.1181 0.1228 ( 3489 PWs) bands (ev): -47.9549 -47.9549 -23.0125 -23.0124 -19.9977 -19.9976 -19.8278 -19.8276 -19.8081 -19.8080 -18.3554 -18.3550 -7.7706 -7.7705 -5.2522 -5.2476 -4.6196 -4.6195 -4.3530 -4.3470 -0.3788 -0.3788 0.2077 0.2105 1.6761 1.6831 5.0656 5.0657 7.9568 7.9596 12.2308 12.2389 12.6934 12.6958 k = 0.1437-0.1255 0.1305 ( 3489 PWs) bands (ev): -47.9549 -47.9549 -23.0115 -23.0114 -19.9974 -19.9969 -19.8268 -19.8268 -19.8082 -19.8082 -18.3598 -18.3594 -7.7637 -7.7636 -5.2666 -5.2620 -4.6243 -4.6242 -4.3408 -4.3348 -0.3746 -0.3746 0.1902 0.1931 1.6917 1.6990 5.0770 5.0770 7.9978 8.0007 12.1628 12.1704 12.6221 12.6241 k = 0.1521-0.1329 0.1382 ( 3485 PWs) bands (ev): -47.9549 -47.9549 -23.0104 -23.0103 -19.9971 -19.9962 -19.8262 -19.8258 -19.8084 -19.8083 -18.3642 -18.3638 -7.7575 -7.7574 -5.2791 -5.2746 -4.6290 -4.6289 -4.3301 -4.3240 -0.3702 -0.3701 0.1739 0.1769 1.7078 1.7152 5.0887 5.0887 8.0401 8.0431 12.0908 12.0978 12.5497 12.5511 k = 0.1606-0.1402 0.1458 ( 3481 PWs) bands (ev): -47.9549 -47.9549 -23.0092 -23.0091 -19.9968 -19.9956 -19.8256 -19.8249 -19.8085 -19.8084 -18.3685 -18.3681 -7.7521 -7.7520 -5.2898 -5.2853 -4.6340 -4.6339 -4.3208 -4.3148 -0.3654 -0.3654 0.1591 0.1621 1.7240 1.7317 5.1007 5.1007 8.0835 8.0866 12.0155 12.0220 12.4764 12.4773 k = 0.1690-0.1476 0.1535 ( 3489 PWs) bands (ev): -47.9549 -47.9549 -23.0080 -23.0079 -19.9967 -19.9951 -19.8251 -19.8240 -19.8087 -19.8085 -18.3727 -18.3724 -7.7477 -7.7477 -5.2985 -5.2941 -4.6391 -4.6391 -4.3131 -4.3071 -0.3605 -0.3605 0.1459 0.1491 1.7405 1.7483 5.1128 5.1128 8.1279 8.1310 11.9378 11.9437 12.4026 12.4030 k = 0.1775-0.1550 0.1612 ( 3489 PWs) bands (ev): -47.9549 -47.9549 -23.0068 -23.0067 -19.9966 -19.9945 -19.8247 -19.8233 -19.8089 -19.8086 -18.3767 -18.3764 -7.7444 -7.7444 -5.3051 -5.3007 -4.6444 -4.6443 -4.3070 -4.3010 -0.3554 -0.3553 0.1347 0.1380 1.7570 1.7651 5.1251 5.1251 8.1731 8.1763 11.8581 11.8635 12.3288 12.3288 k = 0.1859-0.1624 0.1689 ( 3493 PWs) bands (ev): -47.9549 -47.9549 -23.0055 -23.0054 -19.9967 -19.9941 -19.8245 -19.8226 -19.8091 -19.8087 -18.3806 -18.3803 -7.7424 -7.7423 -5.3095 -5.3052 -4.6498 -4.6497 -4.3025 -4.2965 -0.3500 -0.3500 0.1256 0.1289 1.7736 1.7818 5.1375 5.1375 8.2190 8.2222 11.7770 11.7819 12.2551 12.2554 k = 0.1944-0.1698 0.1765 ( 3489 PWs) bands (ev): -47.9549 -47.9549 -23.0042 -23.0041 -19.9967 -19.9936 -19.8244 -19.8220 -19.8092 -19.8088 -18.3842 -18.3840 -7.7416 -7.7416 -5.3117 -5.3074 -4.6553 -4.6552 -4.2997 -4.2937 -0.3444 -0.3444 0.1187 0.1221 1.7902 1.7986 5.1500 5.1500 8.2656 8.2689 11.6949 11.6993 12.1822 12.1830 k = 0.2028-0.1772 0.1842 ( 3477 PWs) bands (ev): -47.9548 -47.9548 -23.0028 -23.0027 -19.9968 -19.9932 -19.8244 -19.8215 -19.8094 -19.8088 -18.3876 -18.3875 -7.7422 -7.7422 -5.3115 -5.3073 -4.6608 -4.6608 -4.2984 -4.2925 -0.3386 -0.3386 0.1142 0.1177 1.8067 1.8152 5.1624 5.1625 8.3128 8.3160 11.6120 11.6160 12.1106 12.1117 k = 0.2113-0.1845 0.1919 ( 3467 PWs) bands (ev): -47.9548 -47.9548 -23.0014 -23.0013 -19.9970 -19.9929 -19.8245 -19.8212 -19.8095 -19.8088 -18.3907 -18.3906 -7.7442 -7.7442 -5.3092 -5.3050 -4.6665 -4.6664 -4.2988 -4.2929 -0.3326 -0.3326 0.1122 0.1158 1.8230 1.8316 5.1748 5.1748 8.3604 8.3636 11.5288 11.5324 12.0406 12.0420 k = 0.2197-0.1919 0.1996 ( 3467 PWs) bands (ev): -47.9548 -47.9548 -23.0000 -22.9999 -19.9974 -19.9927 -19.8249 -19.8210 -19.8096 -19.8088 -18.3935 -18.3935 -7.7477 -7.7477 -5.3046 -5.3005 -4.6722 -4.6721 -4.3008 -4.2950 -0.3265 -0.3264 0.1128 0.1165 1.8390 1.8478 5.1871 5.1871 8.4083 8.4115 11.4453 11.4486 11.9723 11.9739 k = 0.2282-0.1993 0.2072 ( 3479 PWs) bands (ev): -47.9548 -47.9548 -22.9986 -22.9984 -19.9979 -19.9927 -19.8255 -19.8211 -19.8097 -19.8089 -18.3960 -18.3960 -7.7527 -7.7526 -5.2978 -5.2938 -4.6779 -4.6779 -4.3043 -4.2985 -0.3201 -0.3201 0.1160 0.1198 1.8547 1.8636 5.1992 5.1992 8.4566 8.4598 11.3619 11.3649 11.9060 11.9078 k = 0.2366-0.2067 0.2149 ( 3483 PWs) bands (ev): -47.9548 -47.9548 -22.9971 -22.9970 -19.9984 -19.9926 -19.8262 -19.8213 -19.8099 -19.8089 -18.3983 -18.3981 -7.7592 -7.7590 -5.2888 -5.2849 -4.6837 -4.6836 -4.3092 -4.3035 -0.3137 -0.3137 0.1219 0.1258 1.8700 1.8790 5.2111 5.2111 8.5051 8.5083 11.2788 11.2815 11.8417 11.8437 k = 0.2451-0.2141 0.2226 ( 3475 PWs) bands (ev): -47.9548 -47.9548 -22.9956 -22.9955 -19.9990 -19.9927 -19.8270 -19.8216 -19.8099 -19.8090 -18.4001 -18.3999 -7.7670 -7.7669 -5.2778 -5.2740 -4.6895 -4.6894 -4.3155 -4.3099 -0.3070 -0.3070 0.1305 0.1346 1.8849 1.8940 5.2227 5.2227 8.5539 8.5570 11.1962 11.1987 11.7795 11.7817 k = 0.2535-0.2214 0.2303 ( 3479 PWs) bands (ev): -47.9548 -47.9548 -22.9941 -22.9939 -19.9997 -19.9929 -19.8281 -19.8221 -19.8100 -19.8090 -18.4016 -18.4013 -7.7763 -7.7761 -5.2649 -5.2611 -4.6953 -4.6952 -4.3232 -4.3177 -0.3003 -0.3003 0.1419 0.1461 1.8991 1.9084 5.2341 5.2341 8.6029 8.6059 11.1142 11.1165 11.7196 11.7219 k = 0.2620-0.2288 0.2379 ( 3479 PWs) bands (ev): -47.9548 -47.9548 -22.9926 -22.9924 -20.0005 -19.9931 -19.8292 -19.8227 -19.8101 -19.8091 -18.4028 -18.4024 -7.7868 -7.7866 -5.2502 -5.2465 -4.7010 -4.7010 -4.3320 -4.3266 -0.2935 -0.2935 0.1559 0.1602 1.9128 1.9221 5.2451 5.2451 8.6520 8.6549 11.0332 11.0354 11.6620 11.6644 k = 0.2704-0.2362 0.2456 ( 3475 PWs) bands (ev): -47.9548 -47.9548 -22.9911 -22.9909 -20.0014 -19.9935 -19.8305 -19.8234 -19.8102 -19.8091 -18.4035 -18.4031 -7.7985 -7.7983 -5.2338 -5.2302 -4.7067 -4.7067 -4.3420 -4.3367 -0.2866 -0.2866 0.1726 0.1770 1.9258 1.9352 5.2558 5.2558 8.7013 8.7041 10.9532 10.9553 11.6067 11.6091 k = 0.2789-0.2436 0.2533 ( 3475 PWs) bands (ev): -47.9547 -47.9547 -22.9895 -22.9894 -20.0023 -19.9939 -19.8319 -19.8243 -19.8103 -19.8092 -18.4039 -18.4034 -7.8113 -7.8111 -5.2160 -5.2124 -4.7124 -4.7123 -4.3530 -4.3478 -0.2797 -0.2797 0.1918 0.1963 1.9381 1.9475 5.2661 5.2662 8.7507 8.7535 10.8745 10.8764 11.5536 11.5560 k = 0.2873-0.2510 0.2610 ( 3477 PWs) bands (ev): -47.9547 -47.9547 -22.9880 -22.9878 -20.0033 -19.9945 -19.8335 -19.8253 -19.8104 -19.8094 -18.4040 -18.4034 -7.8251 -7.8248 -5.1968 -5.1933 -4.7180 -4.7179 -4.3648 -4.3597 -0.2727 -0.2727 0.2134 0.2181 1.9495 1.9590 5.2760 5.2761 8.8002 8.8029 10.7972 10.7990 11.5029 11.5053 k = 0.2958-0.2583 0.2686 ( 3465 PWs) bands (ev): -47.9547 -47.9547 -22.9865 -22.9863 -20.0043 -19.9952 -19.8350 -19.8264 -19.8104 -19.8094 -18.4037 -18.4031 -7.8398 -7.8395 -5.1765 -5.1731 -4.7234 -4.7234 -4.3774 -4.3724 -0.2657 -0.2657 0.2374 0.2422 1.9602 1.9697 5.2855 5.2856 8.8499 8.8525 10.7214 10.7232 11.4544 11.4568 k = 0.3042-0.2657 0.2763 ( 3461 PWs) bands (ev): -47.9547 -47.9547 -22.9850 -22.9848 -20.0055 -19.9959 -19.8367 -19.8276 -19.8105 -19.8095 -18.4031 -18.4024 -7.8552 -7.8548 -5.1552 -5.1519 -4.7288 -4.7288 -4.3906 -4.3858 -0.2587 -0.2587 0.2635 0.2684 1.9698 1.9794 5.2946 5.2946 8.8998 8.9022 10.6474 10.6492 11.4083 11.4106 k = 0.3127-0.2731 0.2840 ( 3461 PWs) bands (ev): -47.9547 -47.9547 -22.9835 -22.9833 -20.0067 -19.9968 -19.8384 -19.8289 -19.8106 -19.8097 -18.4022 -18.4014 -7.8712 -7.8708 -5.1332 -5.1299 -4.7341 -4.7340 -4.4044 -4.3997 -0.2518 -0.2518 0.2916 0.2967 1.9785 1.9881 5.3032 5.3032 8.9498 8.9521 10.5752 10.5770 11.3643 11.3666 k = 0.3211-0.2805 0.2917 ( 3455 PWs) bands (ev): -47.9547 -47.9547 -22.9820 -22.9818 -20.0079 -19.9978 -19.8401 -19.8304 -19.8107 -19.8098 -18.4009 -18.4002 -7.8876 -7.8872 -5.1107 -5.1074 -4.7392 -4.7392 -4.4186 -4.4139 -0.2449 -0.2449 0.3216 0.3268 1.9862 1.9957 5.3113 5.3113 9.0000 9.0022 10.5052 10.5069 11.3226 11.3248 k = 0.3296-0.2879 0.2993 ( 3455 PWs) bands (ev): -47.9547 -47.9547 -22.9805 -22.9804 -20.0091 -19.9989 -19.8419 -19.8319 -19.8108 -19.8100 -18.3995 -18.3987 -7.9043 -7.9040 -5.0877 -5.0845 -4.7442 -4.7442 -4.4330 -4.4285 -0.2381 -0.2381 0.3533 0.3585 1.9928 2.0023 5.3190 5.3190 9.0504 9.0524 10.4373 10.4391 11.2831 11.2852 k = 0.3380-0.2953 0.3070 ( 3455 PWs) bands (ev): -47.9547 -47.9547 -22.9791 -22.9790 -20.0104 -20.0001 -19.8437 -19.8334 -19.8109 -19.8102 -18.3978 -18.3970 -7.9213 -7.9209 -5.0645 -5.0614 -4.7491 -4.7490 -4.4476 -4.4432 -0.2314 -0.2314 0.3863 0.3916 1.9983 2.0078 5.3262 5.3262 9.1010 9.1028 10.3719 10.3737 11.2458 11.2477 k = 0.3465-0.3026 0.3147 ( 3467 PWs) bands (ev): -47.9547 -47.9547 -22.9777 -22.9776 -20.0118 -20.0015 -19.8455 -19.8352 -19.8110 -19.8104 -18.3959 -18.3951 -7.9382 -7.9379 -5.0414 -5.0383 -4.7537 -4.7537 -4.4622 -4.4579 -0.2249 -0.2249 0.4206 0.4260 2.0028 2.0121 5.3328 5.3329 9.1518 9.1534 10.3091 10.3109 11.2106 11.2123 k = 0.3549-0.3100 0.3224 ( 3471 PWs) bands (ev): -47.9547 -47.9547 -22.9764 -22.9762 -20.0132 -20.0029 -19.8472 -19.8369 -19.8111 -19.8105 -18.3939 -18.3930 -7.9551 -7.9548 -5.0184 -5.0153 -4.7582 -4.7581 -4.4768 -4.4726 -0.2185 -0.2185 0.4558 0.4613 2.0061 2.0153 5.3391 5.3391 9.2027 9.2041 10.2491 10.2511 11.1774 11.1790 k = 0.3634-0.3174 0.3300 ( 3463 PWs) bands (ev): -47.9546 -47.9546 -22.9751 -22.9750 -20.0145 -20.0043 -19.8488 -19.8385 -19.8112 -19.8107 -18.3917 -18.3908 -7.9718 -7.9714 -4.9957 -4.9926 -4.7625 -4.7624 -4.4911 -4.4871 -0.2123 -0.2123 0.4918 0.4973 2.0083 2.0174 5.3449 5.3449 9.2537 9.2548 10.1923 10.1943 11.1463 11.1477 k = 0.3718-0.3248 0.3377 ( 3461 PWs) bands (ev): -47.9546 -47.9546 -22.9739 -22.9737 -20.0158 -20.0058 -19.8504 -19.8402 -19.8113 -19.8108 -18.3894 -18.3886 -7.9881 -7.9877 -4.9734 -4.9704 -4.7666 -4.7665 -4.5052 -4.5012 -0.2064 -0.2064 0.5283 0.5337 2.0095 2.0184 5.3502 5.3503 9.3045 9.3054 10.1390 10.1411 11.1172 11.1184 k = 0.3803-0.3322 0.3454 ( 3461 PWs) bands (ev): -47.9546 -47.9546 -22.9727 -22.9725 -20.0170 -20.0073 -19.8519 -19.8419 -19.8114 -19.8110 -18.3870 -18.3862 -8.0040 -8.0036 -4.9518 -4.9489 -4.7705 -4.7704 -4.5188 -4.5150 -0.2007 -0.2006 0.5649 0.5703 2.0096 2.0183 5.3551 5.3552 9.3550 9.3556 10.0896 10.0919 11.0901 11.0910 k = 0.3887-0.3395 0.3531 ( 3457 PWs) bands (ev): -47.9546 -47.9546 -22.9715 -22.9714 -20.0183 -20.0089 -19.8532 -19.8436 -19.8115 -19.8111 -18.3847 -18.3839 -8.0192 -8.0189 -4.9310 -4.9281 -4.7742 -4.7740 -4.5320 -4.5283 -0.1952 -0.1952 0.6013 0.6067 2.0087 2.0172 5.3596 5.3596 9.4047 9.4050 10.0448 10.0473 11.0648 11.0655 k = 0.3972-0.3469 0.3607 ( 3449 PWs) bands (ev): -47.9546 -47.9546 -22.9705 -22.9703 -20.0194 -20.0104 -19.8545 -19.8452 -19.8115 -19.8112 -18.3823 -18.3815 -8.0338 -8.0335 -4.9111 -4.9082 -4.7776 -4.7774 -4.5446 -4.5410 -0.1900 -0.1900 0.6373 0.6426 2.0069 2.0151 5.3637 5.3638 9.4528 9.4528 10.0055 10.0082 11.0414 11.0418 k = 0.4056-0.3543 0.3684 ( 3438 PWs) bands (ev): -47.9546 -47.9546 -22.9695 -22.9693 -20.0205 -20.0120 -19.8555 -19.8468 -19.8116 -19.8113 -18.3799 -18.3792 -8.0477 -8.0474 -4.8922 -4.8894 -4.7807 -4.7806 -4.5566 -4.5531 -0.1852 -0.1851 0.6725 0.6777 2.0043 2.0122 5.3674 5.3674 9.4977 9.4981 9.9731 9.9759 11.0196 11.0197 k = 0.4141-0.3617 0.3761 ( 3434 PWs) bands (ev): -47.9546 -47.9546 -22.9685 -22.9684 -20.0215 -20.0135 -19.8565 -19.8483 -19.8117 -19.8114 -18.3777 -18.3770 -8.0606 -8.0603 -4.8745 -4.8717 -4.7836 -4.7835 -4.5679 -4.5645 -0.1806 -0.1806 0.7066 0.7115 2.0010 2.0085 5.3707 5.3707 9.5381 9.5388 9.9494 9.9525 10.9992 10.9995 k = 0.4225-0.3691 0.3838 ( 3430 PWs) bands (ev): -47.9546 -47.9546 -22.9677 -22.9676 -20.0224 -20.0150 -19.8574 -19.8498 -19.8117 -19.8115 -18.3755 -18.3749 -8.0726 -8.0724 -4.8579 -4.8553 -4.7863 -4.7861 -4.5783 -4.5752 -0.1765 -0.1765 0.7391 0.7439 1.9972 2.0042 5.3736 5.3736 9.5712 9.5723 9.9372 9.9405 10.9801 10.9808 k = 0.4310-0.3764 0.3914 ( 3418 PWs) bands (ev): -47.9545 -47.9545 -22.9669 -22.9668 -20.0231 -20.0164 -19.8581 -19.8511 -19.8117 -19.8115 -18.3735 -18.3729 -8.0836 -8.0834 -4.8428 -4.8402 -4.7887 -4.7885 -4.5879 -4.5849 -0.1726 -0.1726 0.7698 0.7743 1.9930 1.9995 5.3762 5.3762 9.5946 9.5959 9.9392 9.9426 10.9620 10.9632 k = 0.4394-0.3838 0.3991 ( 3416 PWs) bands (ev): -47.9545 -47.9545 -22.9662 -22.9661 -20.0238 -20.0178 -19.8587 -19.8524 -19.8118 -19.8116 -18.3716 -18.3711 -8.0935 -8.0933 -4.8291 -4.8266 -4.7908 -4.7906 -4.5966 -4.5938 -0.1692 -0.1692 0.7982 0.8024 1.9886 1.9945 5.3784 5.3784 9.6072 9.6085 9.9562 9.9595 10.9444 10.9463 k = 0.4479-0.3912 0.4068 ( 3422 PWs) bands (ev): -47.9545 -47.9545 -22.9656 -22.9655 -20.0244 -20.0192 -19.8592 -19.8537 -19.8119 -19.8117 -18.3699 -18.3695 -8.1022 -8.1020 -4.8170 -4.8146 -4.7927 -4.7923 -4.6044 -4.6018 -0.1662 -0.1662 0.8240 0.8277 1.9842 1.9894 5.3802 5.3803 9.6105 9.6117 9.9864 9.9894 10.9261 10.9288 k = 0.4563-0.3986 0.4145 ( 3438 PWs) bands (ev): -47.9545 -47.9545 -22.9651 -22.9650 -20.0249 -20.0205 -19.8596 -19.8549 -19.8120 -19.8119 -18.3685 -18.3681 -8.1097 -8.1096 -4.8068 -4.8044 -4.7941 -4.7936 -4.6111 -4.6088 -0.1637 -0.1637 0.8468 0.8500 1.9800 1.9845 5.3818 5.3818 9.6077 9.6087 10.0259 10.0284 10.9051 10.9086 k = 0.4648-0.4060 0.4221 ( 3448 PWs) bands (ev): -47.9546 -47.9546 -22.9646 -22.9646 -20.0253 -20.0216 -19.8598 -19.8560 -19.8120 -19.8119 -18.3673 -18.3669 -8.1160 -8.1158 -4.7995 -4.7975 -4.7937 -4.7933 -4.6167 -4.6148 -0.1616 -0.1616 0.8662 0.8689 1.9762 1.9800 5.3831 5.3831 9.6021 9.6028 10.0701 10.0723 10.8776 10.8817 k = 0.4732-0.4134 0.4298 ( 3442 PWs) bands (ev): -47.9545 -47.9545 -22.9643 -22.9642 -20.0254 -20.0226 -19.8598 -19.8569 -19.8120 -19.8120 -18.3662 -18.3660 -8.1209 -8.1208 -4.7978 -4.7973 -4.7887 -4.7880 -4.6211 -4.6196 -0.1599 -0.1599 0.8819 0.8840 1.9732 1.9761 5.3841 5.3841 9.5958 9.5963 10.1148 10.1166 10.8408 10.8446 k = 0.4732-0.4134 0.4298 ( 3442 PWs) bands (ev): -47.9545 -47.9545 -22.9643 -22.9642 -20.0254 -20.0226 -19.8598 -19.8569 -19.8120 -19.8120 -18.3662 -18.3660 -8.1209 -8.1208 -4.7978 -4.7973 -4.7887 -4.7880 -4.6211 -4.6196 -0.1599 -0.1599 0.8819 0.8840 1.9732 1.9761 5.3841 5.3841 9.5958 9.5963 10.1148 10.1166 10.8408 10.8446 k = 0.4739-0.4010 0.4246 ( 3448 PWs) bands (ev): -47.9546 -47.9546 -22.9645 -22.9645 -20.0253 -20.0220 -19.8598 -19.8563 -19.8120 -19.8120 -18.3669 -18.3666 -8.1176 -8.1175 -4.7984 -4.7970 -4.7922 -4.7921 -4.6182 -4.6164 -0.1611 -0.1611 0.8715 0.8740 1.9751 1.9786 5.3833 5.3833 9.5969 9.5976 10.0849 10.0869 10.8695 10.8736 k = 0.4746-0.3887 0.4194 ( 3435 PWs) bands (ev): -47.9545 -47.9545 -22.9649 -22.9648 -20.0251 -20.0212 -19.8596 -19.8555 -19.8119 -19.8118 -18.3676 -18.3672 -8.1136 -8.1135 -4.8018 -4.7995 -4.7942 -4.7936 -4.6146 -4.6126 -0.1627 -0.1627 0.8590 0.8619 1.9773 1.9813 5.3820 5.3820 9.5922 9.5930 10.0544 10.0566 10.9015 10.9056 k = 0.4753-0.3763 0.4142 ( 3432 PWs) bands (ev): -47.9545 -47.9545 -22.9653 -22.9653 -20.0248 -20.0203 -19.8594 -19.8547 -19.8119 -19.8117 -18.3683 -18.3680 -8.1089 -8.1088 -4.8080 -4.8057 -4.7934 -4.7929 -4.6103 -4.6081 -0.1647 -0.1647 0.8445 0.8477 1.9795 1.9840 5.3803 5.3803 9.5825 9.5834 10.0236 10.0261 10.9387 10.9424 k = 0.4760-0.3640 0.4090 ( 3438 PWs) bands (ev): -47.9545 -47.9545 -22.9659 -22.9658 -20.0244 -20.0194 -19.8591 -19.8539 -19.8118 -19.8117 -18.3692 -18.3688 -8.1035 -8.1033 -4.8157 -4.8135 -4.7919 -4.7916 -4.6054 -4.6030 -0.1671 -0.1671 0.8281 0.8316 1.9818 1.9868 5.3781 5.3781 9.5684 9.5694 9.9928 9.9954 10.9820 10.9853 k = 0.4767-0.3517 0.4038 ( 3440 PWs) bands (ev): -47.9546 -47.9546 -22.9665 -22.9665 -20.0239 -20.0185 -19.8587 -19.8530 -19.8117 -19.8115 -18.3701 -18.3696 -8.0974 -8.0972 -4.8247 -4.8224 -4.7901 -4.7898 -4.5997 -4.5972 -0.1699 -0.1699 0.8100 0.8138 1.9840 1.9895 5.3755 5.3755 9.5509 9.5520 9.9620 9.9648 11.0318 11.0346 k = 0.4774-0.3393 0.3986 ( 3437 PWs) bands (ev): -47.9546 -47.9546 -22.9673 -22.9672 -20.0234 -20.0174 -19.8582 -19.8521 -19.8116 -19.8114 -18.3711 -18.3706 -8.0907 -8.0905 -4.8347 -4.8325 -4.7879 -4.7877 -4.5933 -4.5907 -0.1731 -0.1731 0.7905 0.7945 1.9862 1.9920 5.3725 5.3725 9.5309 9.5320 9.9315 9.9344 11.0877 11.0900 k = 0.4780-0.3270 0.3934 ( 3436 PWs) bands (ev): -47.9546 -47.9546 -22.9681 -22.9680 -20.0227 -20.0164 -19.8576 -19.8510 -19.8114 -19.8112 -18.3721 -18.3716 -8.0833 -8.0830 -4.8459 -4.8437 -4.7855 -4.7854 -4.5861 -4.5835 -0.1766 -0.1766 0.7696 0.7738 1.9882 1.9944 5.3691 5.3691 9.5090 9.5102 9.9015 9.9044 11.1491 11.1509 k = 0.4787-0.3146 0.3882 ( 3445 PWs) bands (ev): -47.9546 -47.9546 -22.9690 -22.9689 -20.0221 -20.0153 -19.8570 -19.8500 -19.8112 -19.8110 -18.3733 -18.3727 -8.0752 -8.0750 -4.8581 -4.8559 -4.7829 -4.7828 -4.5783 -4.5757 -0.1804 -0.1804 0.7474 0.7518 1.9900 1.9964 5.3653 5.3654 9.4860 9.4872 9.8722 9.8752 11.2152 11.2166 k = 0.4794-0.3023 0.3830 ( 3447 PWs) bands (ev): -47.9546 -47.9546 -22.9699 -22.9698 -20.0213 -20.0141 -19.8562 -19.8489 -19.8111 -19.8107 -18.3744 -18.3738 -8.0666 -8.0664 -4.8714 -4.8692 -4.7800 -4.7799 -4.5699 -4.5673 -0.1846 -0.1845 0.7243 0.7288 1.9915 1.9981 5.3613 5.3613 9.4621 9.4633 9.8439 9.8470 11.2852 11.2861 k = 0.4801-0.2900 0.3778 ( 3449 PWs) bands (ev): -47.9546 -47.9546 -22.9710 -22.9709 -20.0204 -20.0130 -19.8554 -19.8477 -19.8109 -19.8105 -18.3756 -18.3749 -8.0574 -8.0572 -4.8856 -4.8835 -4.7770 -4.7769 -4.5608 -4.5582 -0.1890 -0.1890 0.7003 0.7049 1.9927 1.9995 5.3569 5.3569 9.4379 9.4391 9.8168 9.8200 11.3583 11.3588 k = 0.4808-0.2776 0.3726 ( 3453 PWs) bands (ev): -47.9546 -47.9546 -22.9721 -22.9720 -20.0195 -20.0118 -19.8545 -19.8466 -19.8107 -19.8102 -18.3768 -18.3761 -8.0477 -8.0474 -4.9006 -4.8986 -4.7737 -4.7736 -4.5511 -4.5485 -0.1937 -0.1937 0.6755 0.6802 1.9935 2.0005 5.3522 5.3522 9.4134 9.4146 9.7912 9.7944 11.4339 11.4339 k = 0.4815-0.2653 0.3674 ( 3454 PWs) bands (ev): -47.9546 -47.9546 -22.9732 -22.9731 -20.0186 -20.0105 -19.8535 -19.8454 -19.8104 -19.8099 -18.3781 -18.3774 -8.0375 -8.0372 -4.9166 -4.9146 -4.7703 -4.7702 -4.5409 -4.5384 -0.1986 -0.1986 0.6503 0.6550 1.9939 2.0010 5.3473 5.3473 9.3890 9.3901 9.7674 9.7706 11.5108 11.5113 k = 0.4822-0.2529 0.3622 ( 3458 PWs) bands (ev): -47.9546 -47.9546 -22.9744 -22.9743 -20.0176 -20.0093 -19.8524 -19.8441 -19.8102 -19.8096 -18.3794 -18.3786 -8.0268 -8.0265 -4.9333 -4.9314 -4.7667 -4.7667 -4.5302 -4.5278 -0.2038 -0.2038 0.6246 0.6293 1.9940 2.0012 5.3422 5.3422 9.3646 9.3657 9.7454 9.7486 11.5890 11.5900 k = 0.4828-0.2406 0.3570 ( 3468 PWs) bands (ev): -47.9546 -47.9546 -22.9757 -22.9756 -20.0165 -20.0081 -19.8513 -19.8429 -19.8100 -19.8093 -18.3807 -18.3799 -8.0157 -8.0154 -4.9507 -4.9489 -4.7630 -4.7630 -4.5192 -4.5168 -0.2092 -0.2091 0.5987 0.6034 1.9937 2.0009 5.3369 5.3369 9.3403 9.3414 9.7255 9.7286 11.6681 11.6696 k = 0.4835-0.2283 0.3518 ( 3466 PWs) bands (ev): -47.9546 -47.9546 -22.9770 -22.9768 -20.0154 -20.0069 -19.8500 -19.8416 -19.8097 -19.8090 -18.3820 -18.3812 -8.0042 -8.0039 -4.9686 -4.9670 -4.7592 -4.7592 -4.5077 -4.5054 -0.2147 -0.2146 0.5726 0.5773 1.9929 2.0001 5.3315 5.3315 9.3163 9.3172 9.7077 9.7108 11.7478 11.7497 k = 0.4842-0.2159 0.3466 ( 3464 PWs) bands (ev): -47.9546 -47.9546 -22.9783 -22.9781 -20.0143 -20.0057 -19.8487 -19.8403 -19.8094 -19.8086 -18.3833 -18.3826 -7.9924 -7.9921 -4.9871 -4.9856 -4.7553 -4.7553 -4.4960 -4.4937 -0.2203 -0.2203 0.5466 0.5512 1.9918 1.9990 5.3260 5.3260 9.2925 9.2934 9.6920 9.6950 11.8277 11.8300 k = 0.4849-0.2036 0.3414 ( 3462 PWs) bands (ev): -47.9547 -47.9547 -22.9796 -22.9795 -20.0131 -20.0045 -19.8474 -19.8390 -19.8092 -19.8083 -18.3847 -18.3839 -7.9803 -7.9800 -5.0061 -5.0046 -4.7513 -4.7513 -4.4840 -4.4818 -0.2260 -0.2260 0.5208 0.5253 1.9903 1.9974 5.3204 5.3204 9.2690 9.2698 9.6785 9.6815 11.9077 11.9103 k = 0.4856-0.1913 0.3362 ( 3468 PWs) bands (ev): -47.9547 -47.9547 -22.9809 -22.9808 -20.0119 -20.0033 -19.8460 -19.8378 -19.8089 -19.8079 -18.3860 -18.3852 -7.9680 -7.9677 -5.0253 -5.0239 -4.7473 -4.7473 -4.4719 -4.4698 -0.2318 -0.2318 0.4951 0.4995 1.9885 1.9955 5.3147 5.3148 9.2459 9.2466 9.6672 9.6700 11.9876 11.9905 k = 0.4863-0.1789 0.3310 ( 3468 PWs) bands (ev): -47.9547 -47.9547 -22.9822 -22.9821 -20.0107 -20.0022 -19.8446 -19.8365 -19.8086 -19.8075 -18.3873 -18.3866 -7.9556 -7.9552 -5.0448 -5.0435 -4.7433 -4.7432 -4.4597 -4.4577 -0.2376 -0.2376 0.4699 0.4742 1.9864 1.9932 5.3091 5.3091 9.2233 9.2239 9.6578 9.6605 12.0671 12.0703 k = 0.4870-0.1666 0.3258 ( 3465 PWs) bands (ev): -47.9547 -47.9547 -22.9836 -22.9835 -20.0095 -20.0011 -19.8431 -19.8353 -19.8084 -19.8072 -18.3887 -18.3879 -7.9430 -7.9427 -5.0644 -5.0632 -4.7392 -4.7392 -4.4475 -4.4455 -0.2434 -0.2434 0.4452 0.4494 1.9840 1.9907 5.3035 5.3035 9.2012 9.2017 9.6504 9.6529 12.1462 12.1496 k = 0.4877-0.1542 0.3206 ( 3464 PWs) bands (ev): -47.9547 -47.9547 -22.9849 -22.9848 -20.0083 -20.0001 -19.8416 -19.8341 -19.8081 -19.8068 -18.3899 -18.3892 -7.9304 -7.9301 -5.0840 -5.0828 -4.7352 -4.7351 -4.4353 -4.4334 -0.2492 -0.2491 0.4211 0.4251 1.9814 1.9878 5.2980 5.2980 9.1797 9.1801 9.6447 9.6471 12.2247 12.2282 k = 0.4883-0.1419 0.3154 ( 3466 PWs) bands (ev): -47.9547 -47.9547 -22.9862 -22.9861 -20.0071 -19.9991 -19.8402 -19.8329 -19.8078 -19.8064 -18.3912 -18.3905 -7.9178 -7.9175 -5.1034 -5.1024 -4.7312 -4.7312 -4.4232 -4.4215 -0.2548 -0.2548 0.3977 0.4016 1.9785 1.9848 5.2925 5.2925 9.1589 9.1592 9.6407 9.6429 12.3023 12.3060 k = 0.4890-0.1296 0.3102 ( 3466 PWs) bands (ev): -47.9547 -47.9547 -22.9874 -22.9873 -20.0060 -19.9982 -19.8387 -19.8317 -19.8075 -19.8061 -18.3924 -18.3917 -7.9054 -7.9051 -5.1227 -5.1217 -4.7273 -4.7273 -4.4114 -4.4097 -0.2604 -0.2604 0.3751 0.3788 1.9755 1.9816 5.2872 5.2872 9.1388 9.1390 9.6381 9.6402 12.3790 12.3828 k = 0.4897-0.1172 0.3050 ( 3470 PWs) bands (ev): -47.9547 -47.9547 -22.9887 -22.9886 -20.0048 -19.9973 -19.8372 -19.8307 -19.8073 -19.8057 -18.3936 -18.3929 -7.8931 -7.8929 -5.1416 -5.1407 -4.7235 -4.7235 -4.3998 -4.3982 -0.2659 -0.2658 0.3534 0.3569 1.9724 1.9782 5.2821 5.2821 9.1196 9.1198 9.6368 9.6388 12.4545 12.4583 k = 0.4904-0.1049 0.2998 ( 3474 PWs) bands (ev): -47.9547 -47.9547 -22.9899 -22.9898 -20.0037 -19.9965 -19.8358 -19.8296 -19.8070 -19.8054 -18.3948 -18.3941 -7.8812 -7.8809 -5.1601 -5.1592 -4.7198 -4.7198 -4.3886 -4.3871 -0.2712 -0.2711 0.3327 0.3360 1.9693 1.9748 5.2771 5.2771 9.1014 9.1014 9.6366 9.6385 12.5286 12.5324 k = 0.4911-0.0925 0.2946 ( 3471 PWs) bands (ev): -47.9547 -47.9547 -22.9910 -22.9909 -20.0026 -19.9958 -19.8343 -19.8286 -19.8067 -19.8051 -18.3958 -18.3952 -7.8695 -7.8692 -5.1779 -5.1771 -4.7163 -4.7163 -4.3778 -4.3764 -0.2762 -0.2762 0.3131 0.3162 1.9662 1.9713 5.2724 5.2724 9.0841 9.0841 9.6374 9.6391 12.6010 12.6048 k = 0.4918-0.0802 0.2894 ( 3475 PWs) bands (ev): -47.9547 -47.9547 -22.9921 -22.9920 -20.0016 -19.9951 -19.8330 -19.8277 -19.8065 -19.8049 -18.3969 -18.3963 -7.8583 -7.8580 -5.1950 -5.1943 -4.7129 -4.7129 -4.3675 -4.3662 -0.2811 -0.2810 0.2946 0.2974 1.9630 1.9679 5.2679 5.2679 9.0678 9.0678 9.6389 9.6404 12.6714 12.6752 k = 0.4925-0.0679 0.2842 ( 3473 PWs) bands (ev): -47.9547 -47.9547 -22.9931 -22.9930 -20.0005 -19.9945 -19.8316 -19.8268 -19.8063 -19.8046 -18.3978 -18.3973 -7.8476 -7.8473 -5.2113 -5.2107 -4.7097 -4.7097 -4.3577 -4.3565 -0.2856 -0.2856 0.2773 0.2800 1.9600 1.9645 5.2637 5.2637 9.0526 9.0527 9.6410 9.6424 12.7395 12.7432 k = 0.4931-0.0555 0.2790 ( 3468 PWs) bands (ev): -47.9547 -47.9547 -22.9940 -22.9940 -19.9995 -19.9940 -19.8303 -19.8260 -19.8060 -19.8044 -18.3987 -18.3982 -7.8375 -7.8372 -5.2266 -5.2261 -4.7067 -4.7067 -4.3485 -4.3474 -0.2899 -0.2899 0.2613 0.2637 1.9571 1.9613 5.2597 5.2598 9.0386 9.0387 9.6435 9.6448 12.8049 12.8084 k = 0.4938-0.0432 0.2738 ( 3471 PWs) bands (ev): -47.9547 -47.9547 -22.9949 -22.9948 -19.9986 -19.9936 -19.8292 -19.8253 -19.8058 -19.8042 -18.3996 -18.3991 -7.8280 -7.8278 -5.2409 -5.2404 -4.7039 -4.7039 -4.3400 -4.3390 -0.2938 -0.2938 0.2466 0.2488 1.9544 1.9581 5.2561 5.2561 9.0259 9.0260 9.6463 9.6475 12.8671 12.8704 k = 0.4945-0.0308 0.2686 ( 3473 PWs) bands (ev): -47.9547 -47.9547 -22.9957 -22.9956 -19.9978 -19.9932 -19.8281 -19.8247 -19.8055 -19.8040 -18.4003 -18.3999 -7.8193 -7.8191 -5.2540 -5.2536 -4.7014 -4.7014 -4.3322 -4.3314 -0.2975 -0.2974 0.2334 0.2354 1.9518 1.9552 5.2528 5.2528 9.0143 9.0144 9.6493 9.6503 12.9255 12.9287 k = 0.4952-0.0185 0.2634 ( 3477 PWs) bands (ev): -47.9548 -47.9548 -22.9964 -22.9964 -19.9970 -19.9929 -19.8270 -19.8241 -19.8053 -19.8039 -18.4010 -18.4006 -7.8114 -7.8113 -5.2659 -5.2655 -4.6992 -4.6992 -4.3252 -4.3245 -0.3007 -0.3007 0.2216 0.2233 1.9495 1.9525 5.2499 5.2499 9.0041 9.0042 9.6522 9.6531 12.9796 12.9825 k = 0.4959-0.0062 0.2582 ( 3471 PWs) bands (ev): -47.9548 -47.9548 -22.9970 -22.9970 -19.9962 -19.9927 -19.8261 -19.8236 -19.8051 -19.8038 -18.4015 -18.4012 -7.8045 -7.8043 -5.2763 -5.2760 -4.6972 -4.6972 -4.3191 -4.3184 -0.3036 -0.3035 0.2113 0.2128 1.9475 1.9501 5.2473 5.2473 8.9951 8.9953 9.6550 9.6558 13.0287 13.0313 k = 0.4966 0.0062 0.2530 ( 3467 PWs) bands (ev): -47.9547 -47.9547 -22.9976 -22.9975 -19.9955 -19.9925 -19.8252 -19.8232 -19.8049 -19.8037 -18.4020 -18.4017 -7.7984 -7.7983 -5.2853 -5.2850 -4.6955 -4.6955 -4.3138 -4.3132 -0.3060 -0.3060 0.2025 0.2038 1.9458 1.9479 5.2451 5.2451 8.9875 8.9876 9.6576 9.6582 13.0721 13.0743 k = 0.4973 0.0185 0.2478 ( 3466 PWs) bands (ev): -47.9547 -47.9547 -22.9980 -22.9980 -19.9948 -19.9925 -19.8245 -19.8229 -19.8047 -19.8037 -18.4024 -18.4022 -7.7934 -7.7933 -5.2927 -5.2925 -4.6941 -4.6941 -4.3094 -4.3089 -0.3080 -0.3080 0.1953 0.1963 1.9444 1.9461 5.2433 5.2433 8.9813 8.9814 9.6599 9.6604 13.1090 13.1109 k = 0.4979 0.0308 0.2426 ( 3465 PWs) bands (ev): -47.9548 -47.9548 -22.9984 -22.9983 -19.9943 -19.9925 -19.8239 -19.8227 -19.8045 -19.8038 -18.4027 -18.4026 -7.7895 -7.7894 -5.2986 -5.2985 -4.6929 -4.6929 -4.3059 -4.3056 -0.3096 -0.3096 0.1897 0.1905 1.9433 1.9446 5.2418 5.2418 8.9764 8.9765 9.6617 9.6621 13.1388 13.1402 k = 0.4986 0.0432 0.2374 ( 3469 PWs) bands (ev): -47.9548 -47.9548 -22.9986 -22.9986 -19.9938 -19.9926 -19.8234 -19.8226 -19.8043 -19.8038 -18.4029 -18.4028 -7.7866 -7.7866 -5.3028 -5.3027 -4.6922 -4.6921 -4.3034 -4.3032 -0.3107 -0.3107 0.1857 0.1863 1.9426 1.9434 5.2408 5.2408 8.9729 8.9730 9.6631 9.6633 13.1606 13.1616 k = 0.4993 0.0555 0.2323 ( 3470 PWs) bands (ev): -47.9548 -47.9548 -22.9988 -22.9988 -19.9934 -19.9928 -19.8231 -19.8227 -19.8042 -19.8039 -18.4031 -18.4030 -7.7849 -7.7849 -5.3054 -5.3053 -4.6917 -4.6917 -4.3019 -4.3018 -0.3114 -0.3114 0.1834 0.1836 1.9422 1.9427 5.2402 5.2402 8.9708 8.9709 9.6640 9.6641 13.1741 13.1746 k = 0.5000 0.0679 0.2271 ( 3472 PWs) bands (ev): -47.9548 -47.9548 -22.9988 -22.9988 -19.9931 -19.9931 -19.8228 -19.8228 -19.8041 -19.8041 -18.4031 -18.4031 -7.7843 -7.7843 -5.3062 -5.3062 -4.6915 -4.6915 -4.3013 -4.3013 -0.3117 -0.3117 0.1827 0.1827 1.9422 1.9422 5.2400 5.2400 8.9701 8.9701 9.6643 9.6643 13.1788 13.1788 k = 0.5000 0.0679 0.2271 ( 3472 PWs) bands (ev): -47.9548 -47.9548 -22.9988 -22.9988 -19.9931 -19.9931 -19.8228 -19.8228 -19.8041 -19.8041 -18.4031 -18.4031 -7.7843 -7.7843 -5.3062 -5.3062 -4.6915 -4.6915 -4.3013 -4.3013 -0.3117 -0.3117 0.1827 0.1827 1.9422 1.9422 5.2400 5.2400 8.9701 8.9701 9.6643 9.6643 13.1788 13.1788 k = 0.4942 0.0729 0.2383 ( 3470 PWs) bands (ev): -47.9548 -47.9548 -22.9988 -22.9988 -19.9933 -19.9929 -19.8230 -19.8227 -19.8044 -19.8038 -18.4030 -18.4030 -7.7843 -7.7843 -5.3061 -5.3060 -4.6921 -4.6919 -4.3015 -4.3014 -0.3125 -0.3122 0.1828 0.1831 1.9424 1.9425 5.2392 5.2394 8.9717 8.9718 9.6658 9.6659 13.1794 13.1796 k = 0.4884 0.0780 0.2496 ( 3472 PWs) bands (ev): -47.9548 -47.9548 -22.9986 -22.9986 -19.9936 -19.9928 -19.8233 -19.8226 -19.8048 -19.8036 -18.4028 -18.4026 -7.7841 -7.7841 -5.3058 -5.3056 -4.6938 -4.6934 -4.3018 -4.3017 -0.3146 -0.3140 0.1835 0.1841 1.9431 1.9432 5.2372 5.2375 8.9764 8.9767 9.6705 9.6707 13.1815 13.1820 k = 0.4826 0.0831 0.2609 ( 3476 PWs) bands (ev): -47.9548 -47.9548 -22.9984 -22.9984 -19.9939 -19.9928 -19.8237 -19.8227 -19.8052 -19.8034 -18.4023 -18.4022 -7.7839 -7.7838 -5.3053 -5.3049 -4.6965 -4.6959 -4.3025 -4.3023 -0.3180 -0.3171 0.1848 0.1857 1.9442 1.9443 5.2338 5.2344 8.9844 8.9848 9.6783 9.6786 13.1851 13.1858 k = 0.4767 0.0882 0.2722 ( 3480 PWs) bands (ev): -47.9548 -47.9548 -22.9981 -22.9981 -19.9944 -19.9928 -19.8242 -19.8228 -19.8057 -19.8033 -18.4017 -18.4015 -7.7835 -7.7835 -5.3045 -5.3040 -4.7003 -4.6994 -4.3033 -4.3030 -0.3227 -0.3215 0.1866 0.1878 1.9457 1.9459 5.2293 5.2300 8.9955 8.9960 9.6893 9.6897 13.1900 13.1910 k = 0.4709 0.0933 0.2835 ( 3480 PWs) bands (ev): -47.9547 -47.9547 -22.9977 -22.9977 -19.9948 -19.9929 -19.8247 -19.8229 -19.8061 -19.8033 -18.4009 -18.4006 -7.7830 -7.7830 -5.3035 -5.3029 -4.7050 -4.7039 -4.3044 -4.3040 -0.3286 -0.3271 0.1890 0.1904 1.9476 1.9479 5.2234 5.2243 9.0097 9.0103 9.7034 9.7038 13.1963 13.1975 k = 0.4651 0.0983 0.2948 ( 3482 PWs) bands (ev): -47.9547 -47.9547 -22.9973 -22.9973 -19.9953 -19.9930 -19.8253 -19.8232 -19.8066 -19.8033 -18.4000 -18.3996 -7.7825 -7.7824 -5.3024 -5.3016 -4.7106 -4.7093 -4.3057 -4.3053 -0.3356 -0.3339 0.1918 0.1935 1.9500 1.9503 5.2164 5.2174 9.0270 9.0277 9.7205 9.7210 13.2039 13.2053 k = 0.4593 0.1034 0.3060 ( 3482 PWs) bands (ev): -47.9547 -47.9547 -22.9967 -22.9967 -19.9959 -19.9932 -19.8259 -19.8236 -19.8071 -19.8034 -18.3988 -18.3984 -7.7818 -7.7817 -5.3010 -5.3001 -4.7171 -4.7155 -4.3072 -4.3067 -0.3438 -0.3418 0.1952 0.1970 1.9527 1.9531 5.2082 5.2094 9.0472 9.0481 9.7406 9.7412 13.2126 13.2142 k = 0.4535 0.1085 0.3173 ( 3482 PWs) bands (ev): -47.9547 -47.9547 -22.9961 -22.9961 -19.9965 -19.9935 -19.8267 -19.8240 -19.8076 -19.8035 -18.3976 -18.3971 -7.7810 -7.7810 -5.2995 -5.2984 -4.7244 -4.7226 -4.3090 -4.3084 -0.3531 -0.3509 0.1990 0.2010 1.9559 1.9563 5.1990 5.2003 9.0705 9.0715 9.7636 9.7644 13.2223 13.2242 k = 0.4477 0.1136 0.3286 ( 3480 PWs) bands (ev): -47.9547 -47.9547 -22.9954 -22.9954 -19.9971 -19.9938 -19.8276 -19.8246 -19.8080 -19.8036 -18.3961 -18.3956 -7.7802 -7.7801 -5.2978 -5.2967 -4.7324 -4.7304 -4.3109 -4.3103 -0.3632 -0.3609 0.2031 0.2053 1.9594 1.9598 5.1887 5.1902 9.0966 9.0977 9.7896 9.7904 13.2327 13.2349 k = 0.4419 0.1186 0.3399 ( 3480 PWs) bands (ev): -47.9547 -47.9547 -22.9946 -22.9946 -19.9978 -19.9941 -19.8285 -19.8252 -19.8085 -19.8038 -18.3945 -18.3939 -7.7792 -7.7792 -5.2961 -5.2948 -4.7410 -4.7388 -4.3131 -4.3125 -0.3744 -0.3718 0.2077 0.2100 1.9632 1.9637 5.1774 5.1791 9.1254 9.1267 9.8183 9.8192 13.2437 13.2461 k = 0.4360 0.1237 0.3512 ( 3482 PWs) bands (ev): -47.9546 -47.9546 -22.9938 -22.9938 -19.9986 -19.9945 -19.8295 -19.8259 -19.8089 -19.8040 -18.3928 -18.3922 -7.7782 -7.7781 -5.2943 -5.2928 -4.7503 -4.7478 -4.3156 -4.3148 -0.3863 -0.3837 0.2126 0.2150 1.9673 1.9679 5.1652 5.1670 9.1570 9.1583 9.8497 9.8508 13.2549 13.2575 k = 0.4302 0.1288 0.3625 ( 3486 PWs) bands (ev): -47.9546 -47.9546 -22.9929 -22.9929 -19.9994 -19.9950 -19.8306 -19.8267 -19.8093 -19.8042 -18.3909 -18.3903 -7.7772 -7.7770 -5.2925 -5.2908 -4.7599 -4.7572 -4.3182 -4.3174 -0.3990 -0.3963 0.2177 0.2203 1.9717 1.9723 5.1522 5.1542 9.1911 9.1925 9.8838 9.8849 13.2658 13.2687 k = 0.4244 0.1339 0.3738 ( 3484 PWs) bands (ev): -47.9546 -47.9546 -22.9919 -22.9919 -20.0002 -19.9956 -19.8318 -19.8276 -19.8096 -19.8044 -18.3890 -18.3882 -7.7760 -7.7759 -5.2906 -5.2889 -4.7699 -4.7670 -4.3211 -4.3202 -0.4124 -0.4096 0.2232 0.2258 1.9764 1.9770 5.1384 5.1405 9.2277 9.2292 9.9204 9.9216 13.2757 13.2789 k = 0.4186 0.1390 0.3850 ( 3482 PWs) bands (ev): -47.9546 -47.9546 -22.9909 -22.9909 -20.0010 -19.9961 -19.8330 -19.8286 -19.8099 -19.8047 -18.3869 -18.3861 -7.7748 -7.7746 -5.2889 -5.2870 -4.7802 -4.7770 -4.3241 -4.3232 -0.4264 -0.4235 0.2289 0.2315 1.9813 1.9819 5.1240 5.1263 9.2666 9.2682 9.9594 9.9606 13.2838 13.2872 k = 0.4128 0.1440 0.3963 ( 3482 PWs) bands (ev): -47.9545 -47.9545 -22.9899 -22.9899 -20.0019 -19.9968 -19.8344 -19.8296 -19.8101 -19.8049 -18.3847 -18.3839 -7.7735 -7.7734 -5.2873 -5.2852 -4.7905 -4.7871 -4.3274 -4.3265 -0.4409 -0.4379 0.2347 0.2374 1.9864 1.9870 5.1090 5.1114 9.3079 9.3095 10.0006 10.0019 13.2886 13.2922 k = 0.4070 0.1491 0.4076 ( 3482 PWs) bands (ev): -47.9545 -47.9545 -22.9888 -22.9888 -20.0029 -19.9974 -19.8357 -19.8306 -19.8103 -19.8052 -18.3825 -18.3817 -7.7722 -7.7720 -5.2859 -5.2836 -4.8009 -4.7972 -4.3309 -4.3299 -0.4558 -0.4528 0.2407 0.2434 1.9916 1.9923 5.0935 5.0960 9.3513 9.3530 10.0440 10.0454 13.2880 13.2918 k = 0.4012 0.1542 0.4189 ( 3482 PWs) bands (ev): -47.9545 -47.9545 -22.9876 -22.9876 -20.0038 -19.9981 -19.8372 -19.8317 -19.8105 -19.8054 -18.3802 -18.3793 -7.7708 -7.7707 -5.2847 -5.2823 -4.8111 -4.8072 -4.3346 -4.3335 -0.4711 -0.4681 0.2468 0.2495 1.9970 1.9976 5.0776 5.0802 9.3967 9.3985 10.0894 10.0908 13.2793 13.2831 k = 0.3953 0.1593 0.4302 ( 3486 PWs) bands (ev): -47.9544 -47.9544 -22.9865 -22.9865 -20.0048 -19.9989 -19.8386 -19.8329 -19.8107 -19.8057 -18.3778 -18.3769 -7.7694 -7.7693 -5.2839 -5.2813 -4.8211 -4.8170 -4.3385 -4.3373 -0.4866 -0.4836 0.2530 0.2557 2.0024 2.0031 5.0613 5.0641 9.4440 9.4459 10.1366 10.1381 13.2591 13.2626 k = 0.3895 0.1643 0.4415 ( 3484 PWs) bands (ev): -47.9544 -47.9544 -22.9853 -22.9853 -20.0058 -19.9997 -19.8401 -19.8341 -19.8108 -19.8060 -18.3754 -18.3745 -7.7680 -7.7678 -5.2834 -5.2806 -4.8307 -4.8263 -4.3425 -4.3413 -0.5024 -0.4993 0.2592 0.2619 2.0079 2.0087 5.0449 5.0478 9.4932 9.4951 10.1854 10.1870 13.2245 13.2274 k = 0.3837 0.1694 0.4528 ( 3478 PWs) bands (ev): -47.9544 -47.9544 -22.9841 -22.9841 -20.0068 -20.0005 -19.8416 -19.8352 -19.8109 -19.8062 -18.3729 -18.3720 -7.7666 -7.7664 -5.2832 -5.2803 -4.8397 -4.8352 -4.3467 -4.3455 -0.5181 -0.5151 0.2655 0.2681 2.0135 2.0142 5.0283 5.0313 9.5441 9.5460 10.2358 10.2374 13.1752 13.1774 k = 0.3779 0.1745 0.4640 ( 3474 PWs) bands (ev): -47.9543 -47.9543 -22.9829 -22.9829 -20.0078 -20.0013 -19.8431 -19.8364 -19.8110 -19.8064 -18.3705 -18.3696 -7.7651 -7.7649 -5.2836 -5.2805 -4.8482 -4.8435 -4.3511 -4.3498 -0.5340 -0.5310 0.2717 0.2743 2.0191 2.0198 5.0117 5.0148 9.5966 9.5986 10.2874 10.2892 13.1135 13.1150 k = 0.3721 0.1796 0.4753 ( 3474 PWs) bands (ev): -47.9543 -47.9543 -22.9817 -22.9817 -20.0088 -20.0022 -19.8446 -19.8376 -19.8111 -19.8066 -18.3680 -18.3671 -7.7636 -7.7634 -5.2844 -5.2812 -4.8560 -4.8511 -4.3556 -4.3543 -0.5497 -0.5468 0.2779 0.2804 2.0246 2.0254 4.9950 4.9982 9.6506 9.6526 10.3401 10.3419 13.0425 13.0435 k = 0.3663 0.1847 0.4866 ( 3472 PWs) bands (ev): -47.9543 -47.9543 -22.9805 -22.9804 -20.0098 -20.0031 -19.8460 -19.8388 -19.8112 -19.8068 -18.3656 -18.3646 -7.7622 -7.7620 -5.2857 -5.2824 -4.8631 -4.8580 -4.3602 -4.3588 -0.5653 -0.5624 0.2840 0.2865 2.0301 2.0309 4.9786 4.9819 9.7060 9.7081 10.3937 10.3956 12.9653 12.9659 k = 0.3605 0.1897 0.4979 ( 3472 PWs) bands (ev): -47.9542 -47.9542 -22.9792 -22.9792 -20.0108 -20.0040 -19.8475 -19.8400 -19.8112 -19.8070 -18.3632 -18.3622 -7.7607 -7.7605 -5.2876 -5.2842 -4.8693 -4.8641 -4.3650 -4.3635 -0.5807 -0.5779 0.2901 0.2924 2.0356 2.0363 4.9623 4.9657 9.7628 9.7649 10.4480 10.4500 12.8839 12.8844 k = 0.3547 0.1948 0.5092 ( 3474 PWs) bands (ev): -47.9542 -47.9542 -22.9781 -22.9781 -20.0119 -20.0049 -19.8489 -19.8411 -19.8112 -19.8073 -18.3608 -18.3598 -7.7593 -7.7591 -5.2900 -5.2865 -4.8746 -4.8694 -4.3698 -4.3683 -0.5958 -0.5930 0.2959 0.2982 2.0409 2.0416 4.9463 4.9498 9.8207 9.8228 10.5027 10.5047 12.7997 12.8004 k = 0.3488 0.1999 0.5205 ( 3476 PWs) bands (ev): -47.9542 -47.9542 -22.9769 -22.9769 -20.0129 -20.0059 -19.8503 -19.8423 -19.8113 -19.8075 -18.3585 -18.3575 -7.7579 -7.7577 -5.2929 -5.2893 -4.8791 -4.8738 -4.3746 -4.3731 -0.6105 -0.6078 0.3016 0.3039 2.0461 2.0467 4.9307 4.9343 9.8797 9.8819 10.5576 10.5597 12.7140 12.7148 k = 0.3430 0.2050 0.5318 ( 3478 PWs) bands (ev): -47.9541 -47.9541 -22.9758 -22.9758 -20.0139 -20.0068 -19.8517 -19.8434 -19.8113 -19.8077 -18.3562 -18.3552 -7.7565 -7.7563 -5.2962 -5.2926 -4.8827 -4.8773 -4.3795 -4.3780 -0.6248 -0.6221 0.3072 0.3093 2.0511 2.0517 4.9156 4.9192 9.9397 9.9419 10.6124 10.6146 12.6273 12.6283 k = 0.3372 0.2101 0.5430 ( 3480 PWs) bands (ev): -47.9541 -47.9541 -22.9747 -22.9747 -20.0148 -20.0077 -19.8530 -19.8445 -19.8113 -19.8078 -18.3540 -18.3530 -7.7552 -7.7550 -5.2999 -5.2963 -4.8854 -4.8801 -4.3844 -4.3829 -0.6386 -0.6360 0.3125 0.3145 2.0559 2.0566 4.9009 4.9046 10.0006 10.0028 10.6668 10.6692 12.5403 12.5414 k = 0.3314 0.2151 0.5543 ( 3480 PWs) bands (ev): -47.9541 -47.9541 -22.9736 -22.9736 -20.0157 -20.0086 -19.8542 -19.8455 -19.8113 -19.8080 -18.3519 -18.3509 -7.7539 -7.7537 -5.3040 -5.3003 -4.8874 -4.8820 -4.3893 -4.3877 -0.6518 -0.6492 0.3176 0.3195 2.0606 2.0612 4.8869 4.8906 10.0621 10.0644 10.7207 10.7231 12.4533 12.4545 k = 0.3256 0.2202 0.5656 ( 3480 PWs) bands (ev): -47.9541 -47.9541 -22.9726 -22.9726 -20.0166 -20.0094 -19.8553 -19.8465 -19.8113 -19.8082 -18.3499 -18.3489 -7.7527 -7.7524 -5.3083 -5.3046 -4.8886 -4.8833 -4.3941 -4.3925 -0.6644 -0.6618 0.3224 0.3243 2.0650 2.0655 4.8735 4.8773 10.1243 10.1266 10.7737 10.7763 12.3666 12.3678 k = 0.3198 0.2253 0.5769 ( 3482 PWs) bands (ev): -47.9540 -47.9540 -22.9716 -22.9716 -20.0175 -20.0103 -19.8564 -19.8474 -19.8113 -19.8083 -18.3479 -18.3470 -7.7515 -7.7513 -5.3127 -5.3091 -4.8892 -4.8839 -4.3987 -4.3971 -0.6763 -0.6738 0.3270 0.3288 2.0691 2.0697 4.8609 4.8648 10.1868 10.1891 10.8256 10.8283 12.2804 12.2817 k = 0.3140 0.2304 0.5882 ( 3480 PWs) bands (ev): -47.9540 -47.9540 -22.9707 -22.9707 -20.0182 -20.0110 -19.8574 -19.8483 -19.8113 -19.8085 -18.3461 -18.3452 -7.7504 -7.7502 -5.3172 -5.3137 -4.8892 -4.8840 -4.4033 -4.4017 -0.6874 -0.6850 0.3313 0.3330 2.0730 2.0735 4.8491 4.8530 10.2495 10.2519 10.8761 10.8789 12.1952 12.1965 k = 0.3081 0.2354 0.5995 ( 3486 PWs) bands (ev): -47.9540 -47.9540 -22.9699 -22.9699 -20.0190 -20.0118 -19.8584 -19.8491 -19.8113 -19.8086 -18.3445 -18.3435 -7.7494 -7.7492 -5.3217 -5.3182 -4.8888 -4.8837 -4.4076 -4.4060 -0.6978 -0.6953 0.3353 0.3369 2.0766 2.0771 4.8380 4.8420 10.3120 10.3145 10.9250 10.9279 12.1110 12.1123 k = 0.3023 0.2405 0.6108 ( 3484 PWs) bands (ev): -47.9540 -47.9540 -22.9691 -22.9691 -20.0197 -20.0125 -19.8592 -19.8498 -19.8113 -19.8087 -18.3429 -18.3420 -7.7485 -7.7482 -5.3261 -5.3226 -4.8880 -4.8830 -4.4117 -4.4101 -0.7072 -0.7049 0.3389 0.3404 2.0800 2.0804 4.8280 4.8320 10.3741 10.3765 10.9720 10.9750 12.0283 12.0295 k = 0.2965 0.2456 0.6220 ( 3486 PWs) bands (ev): -47.9540 -47.9540 -22.9684 -22.9684 -20.0203 -20.0131 -19.8600 -19.8505 -19.8113 -19.8089 -18.3415 -18.3406 -7.7477 -7.7474 -5.3302 -5.3268 -4.8871 -4.8822 -4.4156 -4.4140 -0.7158 -0.7135 0.3422 0.3437 2.0830 2.0834 4.8188 4.8228 10.4351 10.4376 11.0169 11.0201 11.9472 11.9484 k = 0.2907 0.2507 0.6333 ( 3480 PWs) bands (ev): -47.9539 -47.9539 -22.9677 -22.9677 -20.0209 -20.0137 -19.8606 -19.8511 -19.8113 -19.8090 -18.3403 -18.3393 -7.7469 -7.7466 -5.3341 -5.3307 -4.8859 -4.8811 -4.4191 -4.4175 -0.7235 -0.7212 0.3452 0.3465 2.0857 2.0861 4.8106 4.8147 10.4945 10.4971 11.0598 11.0631 11.8682 11.8694 k = 0.2849 0.2558 0.6446 ( 3480 PWs) bands (ev): -47.9539 -47.9539 -22.9672 -22.9672 -20.0213 -20.0142 -19.8612 -19.8516 -19.8113 -19.8091 -18.3392 -18.3383 -7.7462 -7.7459 -5.3376 -5.3343 -4.8847 -4.8800 -4.4222 -4.4206 -0.7302 -0.7280 0.3478 0.3490 2.0881 2.0884 4.8034 4.8075 10.5513 10.5540 11.1005 11.1041 11.7918 11.7928 k = 0.2791 0.2608 0.6559 ( 3478 PWs) bands (ev): -47.9539 -47.9539 -22.9667 -22.9667 -20.0218 -20.0146 -19.8617 -19.8520 -19.8112 -19.8091 -18.3382 -18.3373 -7.7456 -7.7453 -5.3407 -5.3374 -4.8835 -4.8789 -4.4250 -4.4234 -0.7360 -0.7337 0.3500 0.3512 2.0901 2.0903 4.7973 4.8014 10.6044 10.6072 11.1393 11.1431 11.7186 11.7195 k = 0.2733 0.2659 0.6672 ( 3478 PWs) bands (ev): -47.9539 -47.9539 -22.9663 -22.9663 -20.0221 -20.0150 -19.8621 -19.8524 -19.8112 -19.8092 -18.3375 -18.3366 -7.7452 -7.7449 -5.3433 -5.3401 -4.8824 -4.8778 -4.4273 -4.4257 -0.7407 -0.7385 0.3518 0.3530 2.0918 2.0920 4.7922 4.7964 10.6523 10.6551 11.1763 11.1805 11.6495 11.6503 k = 0.2674 0.2710 0.6785 ( 3478 PWs) bands (ev): -47.9539 -47.9539 -22.9660 -22.9660 -20.0224 -20.0153 -19.8625 -19.8527 -19.8112 -19.8092 -18.3369 -18.3360 -7.7448 -7.7445 -5.3453 -5.3422 -4.8815 -4.8770 -4.4291 -4.4275 -0.7444 -0.7422 0.3532 0.3543 2.0931 2.0932 4.7883 4.7924 10.6930 10.6959 11.2116 11.2163 11.5860 11.5867 k = 0.2616 0.2761 0.6898 ( 3482 PWs) bands (ev): -47.9539 -47.9539 -22.9658 -22.9658 -20.0226 -20.0155 -19.8627 -19.8529 -19.8112 -19.8093 -18.3364 -18.3355 -7.7445 -7.7442 -5.3468 -5.3437 -4.8808 -4.8763 -4.4304 -4.4289 -0.7471 -0.7449 0.3543 0.3553 2.0940 2.0941 4.7854 4.7896 10.7244 10.7273 11.2445 11.2499 11.5304 11.5317 k = 0.2558 0.2811 0.7010 ( 3490 PWs) bands (ev): -47.9539 -47.9539 -22.9656 -22.9656 -20.0228 -20.0156 -19.8629 -19.8530 -19.8112 -19.8094 -18.3362 -18.3353 -7.7444 -7.7441 -5.3478 -5.3446 -4.8803 -4.8759 -4.4313 -4.4297 -0.7487 -0.7465 0.3548 0.3559 2.0946 2.0946 4.7837 4.7879 10.7443 10.7472 11.2712 11.2776 11.4886 11.4908 k = 0.2500 0.2862 0.7123 ( 3488 PWs) bands (ev): -47.9539 -47.9539 -22.9656 -22.9656 -20.0228 -20.0157 -19.8629 -19.8531 -19.8112 -19.8094 -18.3361 -18.3352 -7.7443 -7.7440 -5.3481 -5.3449 -4.8802 -4.8758 -4.4315 -4.4300 -0.7492 -0.7471 0.3551 0.3561 2.0948 2.0948 4.7831 4.7873 10.7511 10.7541 11.2824 11.2894 11.4719 11.4746 k = 0.3277-0.2862 0.7123 ( 3468 PWs) bands (ev): -47.9541 -47.9541 -22.9626 -22.9625 -20.0139 -20.0113 -19.8478 -19.8460 -19.8173 -19.8133 -18.3681 -18.3680 -8.0105 -8.0099 -5.0873 -5.0845 -4.8040 -4.8033 -4.5386 -4.5349 -0.4484 -0.4461 0.8077 0.8104 1.9878 1.9898 4.9327 4.9343 10.5049 10.5069 10.7662 10.7688 11.2488 11.2501 k = 0.3335-0.2913 0.7010 ( 3466 PWs) bands (ev): -47.9541 -47.9541 -22.9625 -22.9624 -20.0145 -20.0119 -19.8486 -19.8467 -19.8171 -19.8133 -18.3682 -18.3681 -8.0177 -8.0171 -5.0718 -5.0690 -4.8026 -4.8018 -4.5438 -4.5402 -0.4319 -0.4296 0.8136 0.8163 1.9880 1.9901 4.9584 4.9599 10.4907 10.4925 10.7040 10.7064 11.2272 11.2284 k = 0.3393-0.2964 0.6897 ( 3463 PWs) bands (ev): -47.9541 -47.9541 -22.9625 -22.9623 -20.0151 -20.0125 -19.8494 -19.8474 -19.8170 -19.8132 -18.3682 -18.3681 -8.0248 -8.0243 -5.0559 -5.0532 -4.8012 -4.8004 -4.5490 -4.5455 -0.4153 -0.4130 0.8193 0.8220 1.9881 1.9902 4.9843 4.9857 10.4704 10.4720 10.6441 10.6462 11.2061 11.2073 k = 0.3452-0.3015 0.6784 ( 3467 PWs) bands (ev): -47.9542 -47.9542 -22.9625 -22.9623 -20.0157 -20.0132 -19.8502 -19.8482 -19.8169 -19.8132 -18.3682 -18.3681 -8.0319 -8.0313 -5.0397 -5.0371 -4.7999 -4.7991 -4.5542 -4.5507 -0.3986 -0.3963 0.8247 0.8274 1.9879 1.9901 5.0103 5.0116 10.4430 10.4442 10.5884 10.5901 11.1856 11.1867 k = 0.3510-0.3066 0.6671 ( 3465 PWs) bands (ev): -47.9542 -47.9542 -22.9625 -22.9623 -20.0163 -20.0138 -19.8509 -19.8489 -19.8167 -19.8131 -18.3682 -18.3680 -8.0388 -8.0382 -5.0235 -5.0209 -4.7988 -4.7979 -4.5593 -4.5559 -0.3818 -0.3796 0.8299 0.8326 1.9876 1.9898 5.0363 5.0376 10.4070 10.4078 10.5390 10.5404 11.1657 11.1668 k = 0.3568-0.3116 0.6558 ( 3467 PWs) bands (ev): -47.9542 -47.9542 -22.9625 -22.9624 -20.0170 -20.0145 -19.8517 -19.8496 -19.8165 -19.8130 -18.3681 -18.3680 -8.0455 -8.0450 -5.0071 -5.0047 -4.7977 -4.7968 -4.5643 -4.5610 -0.3652 -0.3630 0.8349 0.8375 1.9871 1.9894 5.0622 5.0635 10.3617 10.3625 10.4969 10.4981 11.1465 11.1475 k = 0.3626-0.3167 0.6445 ( 3463 PWs) bands (ev): -47.9542 -47.9542 -22.9626 -22.9624 -20.0176 -20.0151 -19.8524 -19.8502 -19.8163 -19.8129 -18.3680 -18.3679 -8.0521 -8.0516 -4.9908 -4.9884 -4.7967 -4.7958 -4.5691 -4.5660 -0.3486 -0.3465 0.8395 0.8422 1.9865 1.9889 5.0880 5.0892 10.3093 10.3103 10.4608 10.4622 11.1279 11.1288 k = 0.3685-0.3218 0.6332 ( 3457 PWs) bands (ev): -47.9543 -47.9543 -22.9626 -22.9625 -20.0182 -20.0157 -19.8530 -19.8508 -19.8160 -19.8128 -18.3680 -18.3678 -8.0585 -8.0580 -4.9746 -4.9723 -4.7957 -4.7948 -4.5739 -4.5708 -0.3323 -0.3302 0.8440 0.8466 1.9858 1.9883 5.1134 5.1145 10.2528 10.2539 10.4287 10.4302 11.1099 11.1109 k = 0.3743-0.3269 0.6219 ( 3460 PWs) bands (ev): -47.9543 -47.9543 -22.9627 -22.9626 -20.0188 -20.0164 -19.8537 -19.8515 -19.8158 -19.8127 -18.3679 -18.3677 -8.0647 -8.0642 -4.9585 -4.9563 -4.7949 -4.7939 -4.5785 -4.5755 -0.3163 -0.3143 0.8482 0.8508 1.9850 1.9875 5.1383 5.1393 10.1946 10.1957 10.3989 10.4004 11.0926 11.0935 k = 0.3801-0.3320 0.6106 ( 3456 PWs) bands (ev): -47.9543 -47.9543 -22.9628 -22.9627 -20.0195 -20.0170 -19.8544 -19.8520 -19.8155 -19.8126 -18.3677 -18.3676 -8.0707 -8.0702 -4.9428 -4.9407 -4.7941 -4.7931 -4.5830 -4.5801 -0.3008 -0.2988 0.8521 0.8547 1.9842 1.9867 5.1626 5.1636 10.1363 10.1374 10.3705 10.3720 11.0757 11.0767 k = 0.3859-0.3371 0.5993 ( 3456 PWs) bands (ev): -47.9543 -47.9543 -22.9629 -22.9628 -20.0201 -20.0176 -19.8550 -19.8526 -19.8152 -19.8125 -18.3676 -18.3674 -8.0764 -8.0759 -4.9275 -4.9254 -4.7934 -4.7924 -4.5873 -4.5844 -0.2856 -0.2837 0.8558 0.8583 1.9833 1.9858 5.1863 5.1872 10.0788 10.0799 10.3432 10.3447 11.0591 11.0604 k = 0.3917-0.3422 0.5880 ( 3452 PWs) bands (ev): -47.9544 -47.9544 -22.9631 -22.9629 -20.0207 -20.0182 -19.8556 -19.8531 -19.8150 -19.8124 -18.3675 -18.3673 -8.0818 -8.0814 -4.9126 -4.9107 -4.7928 -4.7917 -4.5914 -4.5886 -0.2710 -0.2692 0.8592 0.8618 1.9823 1.9849 5.2092 5.2100 10.0229 10.0239 10.3169 10.3184 11.0426 11.0442 k = 0.3976-0.3472 0.5767 ( 3450 PWs) bands (ev): -47.9544 -47.9544 -22.9632 -22.9631 -20.0212 -20.0187 -19.8561 -19.8536 -19.8147 -19.8123 -18.3673 -18.3671 -8.0869 -8.0865 -4.8983 -4.8965 -4.7922 -4.7911 -4.5952 -4.5926 -0.2570 -0.2553 0.8624 0.8649 1.9813 1.9840 5.2311 5.2319 9.9691 9.9700 10.2916 10.2931 11.0259 11.0279 k = 0.4034-0.3523 0.5654 ( 3455 PWs) bands (ev): -47.9544 -47.9544 -22.9633 -22.9632 -20.0218 -20.0193 -19.8567 -19.8541 -19.8144 -19.8122 -18.3672 -18.3670 -8.0918 -8.0914 -4.8847 -4.8830 -4.7917 -4.7905 -4.5989 -4.5963 -0.2438 -0.2421 0.8653 0.8678 1.9803 1.9830 5.2519 5.2527 9.9178 9.9186 10.2675 10.2691 11.0085 11.0111 k = 0.4092-0.3574 0.5541 ( 3455 PWs) bands (ev): -47.9544 -47.9544 -22.9634 -22.9633 -20.0223 -20.0198 -19.8572 -19.8546 -19.8142 -19.8121 -18.3671 -18.3669 -8.0963 -8.0959 -4.8718 -4.8702 -4.7912 -4.7900 -4.6023 -4.5999 -0.2312 -0.2297 0.8680 0.8705 1.9794 1.9821 5.2716 5.2723 9.8694 9.8701 10.2448 10.2463 10.9902 10.9934 k = 0.4150-0.3625 0.5428 ( 3449 PWs) bands (ev): -47.9545 -47.9545 -22.9636 -22.9635 -20.0228 -20.0202 -19.8576 -19.8549 -19.8139 -19.8120 -18.3669 -18.3667 -8.1004 -8.1001 -4.8597 -4.8582 -4.7908 -4.7896 -4.6055 -4.6031 -0.2195 -0.2181 0.8705 0.8729 1.9784 1.9812 5.2900 5.2907 9.8241 9.8249 10.2234 10.2250 10.9709 10.9746 k = 0.4208-0.3676 0.5315 ( 3449 PWs) bands (ev): -47.9545 -47.9545 -22.9637 -22.9636 -20.0233 -20.0206 -19.8580 -19.8553 -19.8137 -19.8120 -18.3668 -18.3666 -8.1042 -8.1039 -4.8485 -4.8471 -4.7905 -4.7892 -4.6084 -4.6061 -0.2088 -0.2075 0.8727 0.8750 1.9775 1.9803 5.3071 5.3076 9.7824 9.7831 10.2037 10.2053 10.9509 10.9549 k = 0.4267-0.3727 0.5202 ( 3449 PWs) bands (ev): -47.9545 -47.9545 -22.9638 -22.9637 -20.0237 -20.0210 -19.8584 -19.8556 -19.8134 -19.8119 -18.3667 -18.3665 -8.1077 -8.1074 -4.8383 -4.8370 -4.7901 -4.7889 -4.6110 -4.6088 -0.1989 -0.1977 0.8746 0.8770 1.9767 1.9795 5.3226 5.3231 9.7444 9.7450 10.1857 10.1873 10.9309 10.9351 k = 0.4325-0.3778 0.5089 ( 3450 PWs) bands (ev): -47.9545 -47.9545 -22.9639 -22.9638 -20.0241 -20.0214 -19.8587 -19.8559 -19.8132 -19.8119 -18.3666 -18.3664 -8.1107 -8.1105 -4.8291 -4.8280 -4.7899 -4.7886 -4.6134 -4.6113 -0.1901 -0.1890 0.8764 0.8786 1.9759 1.9788 5.3366 5.3370 9.7104 9.7110 10.1695 10.1711 10.9117 10.9158 k = 0.4383-0.3828 0.4976 ( 3443 PWs) bands (ev): -47.9545 -47.9545 -22.9640 -22.9639 -20.0244 -20.0217 -19.8590 -19.8562 -19.8129 -19.8118 -18.3665 -18.3663 -8.1134 -8.1132 -4.8209 -4.8200 -4.7896 -4.7884 -4.6154 -4.6134 -0.1823 -0.1814 0.8779 0.8801 1.9752 1.9781 5.3490 5.3493 9.6805 9.6810 10.1553 10.1569 10.8940 10.8981 k = 0.4441-0.3879 0.4863 ( 3441 PWs) bands (ev): -47.9545 -47.9545 -22.9641 -22.9640 -20.0247 -20.0220 -19.8592 -19.8564 -19.8127 -19.8118 -18.3664 -18.3662 -8.1157 -8.1155 -4.8139 -4.8132 -4.7894 -4.7882 -4.6171 -4.6153 -0.1756 -0.1749 0.8791 0.8813 1.9746 1.9775 5.3595 5.3598 9.6549 9.6555 10.1431 10.1448 10.8783 10.8823 k = 0.4500-0.3930 0.4750 ( 3441 PWs) bands (ev): -47.9545 -47.9545 -22.9641 -22.9641 -20.0249 -20.0222 -19.8594 -19.8566 -19.8126 -19.8118 -18.3664 -18.3661 -8.1176 -8.1174 -4.8082 -4.8076 -4.7892 -4.7880 -4.6186 -4.6168 -0.1701 -0.1695 0.8801 0.8823 1.9741 1.9770 5.3683 5.3685 9.6338 9.6343 10.1330 10.1347 10.8651 10.8690 k = 0.4558-0.3981 0.4637 ( 3443 PWs) bands (ev): -47.9545 -47.9545 -22.9642 -22.9642 -20.0251 -20.0224 -19.8596 -19.8567 -19.8124 -19.8118 -18.3663 -18.3661 -8.1190 -8.1189 -4.8036 -4.8032 -4.7890 -4.7880 -4.6197 -4.6180 -0.1657 -0.1653 0.8809 0.8831 1.9737 1.9766 5.3752 5.3754 9.6172 9.6178 10.1251 10.1268 10.8546 10.8585 k = 0.4616-0.4032 0.4524 ( 3447 PWs) bands (ev): -47.9545 -47.9545 -22.9642 -22.9642 -20.0253 -20.0225 -19.8597 -19.8568 -19.8123 -19.8119 -18.3663 -18.3660 -8.1201 -8.1200 -4.8004 -4.7999 -4.7889 -4.7880 -4.6205 -4.6189 -0.1626 -0.1623 0.8815 0.8836 1.9734 1.9763 5.3801 5.3802 9.6054 9.6059 10.1194 10.1211 10.8470 10.8508 k = 0.4674-0.4083 0.4411 ( 3450 PWs) bands (ev): -47.9546 -47.9546 -22.9643 -22.9642 -20.0254 -20.0226 -19.8598 -19.8569 -19.8121 -19.8119 -18.3662 -18.3660 -8.1207 -8.1206 -4.7985 -4.7980 -4.7888 -4.7880 -4.6210 -4.6194 -0.1606 -0.1605 0.8818 0.8839 1.9732 1.9761 5.3831 5.3831 9.5982 9.5987 10.1160 10.1177 10.8424 10.8462 k = 0.4732-0.4134 0.4298 ( 3442 PWs) bands (ev): -47.9545 -47.9545 -22.9643 -22.9642 -20.0254 -20.0226 -19.8598 -19.8569 -19.8120 -19.8120 -18.3662 -18.3660 -8.1209 -8.1208 -4.7978 -4.7973 -4.7887 -4.7880 -4.6211 -4.6196 -0.1599 -0.1599 0.8819 0.8840 1.9732 1.9761 5.3841 5.3841 9.5958 9.5963 10.1148 10.1166 10.8408 10.8446 k = 0.5268 0.5491 0.0243 ( 3442 PWs) bands (ev): -47.9545 -47.9545 -22.9643 -22.9642 -20.0254 -20.0226 -19.8598 -19.8569 -19.8120 -19.8120 -18.3662 -18.3660 -8.1209 -8.1208 -4.7978 -4.7973 -4.7887 -4.7880 -4.6211 -4.6196 -0.1599 -0.1599 0.8819 0.8840 1.9732 1.9761 5.3841 5.3841 9.5958 9.5963 10.1148 10.1166 10.8408 10.8446 k = 0.5201 0.5549 0.0182 ( 3446 PWs) bands (ev): -47.9546 -47.9546 -22.9641 -22.9640 -20.0254 -20.0233 -19.8597 -19.8575 -19.8121 -19.8120 -18.3656 -18.3654 -8.1239 -8.1238 -4.7981 -4.7978 -4.7847 -4.7840 -4.6238 -4.6226 -0.1589 -0.1589 0.8916 0.8932 1.9713 1.9735 5.3847 5.3847 9.5914 9.5918 10.1474 10.1488 10.8084 10.8113 k = 0.5134 0.5608 0.0122 ( 3438 PWs) bands (ev): -47.9545 -47.9545 -22.9639 -22.9639 -20.0252 -20.0238 -19.8595 -19.8581 -19.8121 -19.8120 -18.3652 -18.3650 -8.1260 -8.1259 -4.7983 -4.7982 -4.7817 -4.7811 -4.6256 -4.6248 -0.1582 -0.1582 0.8987 0.8998 1.9700 1.9715 5.3851 5.3851 9.5880 9.5882 10.1744 10.1754 10.7791 10.7811 k = 0.5067 0.5666 0.0061 ( 3442 PWs) bands (ev): -47.9545 -47.9545 -22.9638 -22.9638 -20.0251 -20.0244 -19.8593 -19.8586 -19.8121 -19.8121 -18.3649 -18.3648 -8.1273 -8.1272 -4.7985 -4.7985 -4.7797 -4.7794 -4.6266 -4.6262 -0.1578 -0.1578 0.9031 0.9036 1.9694 1.9702 5.3854 5.3854 9.5858 9.5860 10.1926 10.1931 10.7589 10.7599 k = 0.5000 0.5724-0.0000 ( 3442 PWs) bands (ev): -47.9545 -47.9545 -22.9638 -22.9638 -20.0248 -20.0248 -19.8590 -19.8590 -19.8121 -19.8121 -18.3648 -18.3648 -8.1277 -8.1277 -4.7986 -4.7986 -4.7789 -4.7789 -4.6269 -4.6269 -0.1576 -0.1576 0.9047 0.9047 1.9694 1.9694 5.3855 5.3855 9.5852 9.5852 10.1992 10.1992 10.7520 10.7520 Writing output data file NaNO2.save init_run : 2.43s CPU 11.08s WALL ( 1 calls) electrons : 367.11s CPU 372.77s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.03s WALL ( 1 calls) potinit : 0.18s CPU 2.05s WALL ( 1 calls) Called by electrons: c_bands : 367.01s CPU 372.27s WALL ( 1 calls) v_of_rho : 0.04s CPU 0.79s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.03s CPU 0.53s WALL ( 1 calls) newd : 0.14s CPU 0.51s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.18s WALL ( 449 calls) cegterg : 340.02s CPU 342.00s WALL ( 828 calls) Called by sum_band: Called by *egterg: h_psi : 183.82s CPU 190.08s WALL ( 13242 calls) s_psi : 4.96s CPU 5.66s WALL ( 13242 calls) g_psi : 0.44s CPU 0.46s WALL ( 11965 calls) cdiaghg : 103.25s CPU 100.95s WALL ( 12414 calls) cegterg:over : 28.94s CPU 25.80s WALL ( 11965 calls) cegterg:upda : 3.47s CPU 6.47s WALL ( 11965 calls) cegterg:last : 4.30s CPU 5.17s WALL ( 2432 calls) Called by h_psi: h_psi:vloc : 166.52s CPU 172.18s WALL ( 13242 calls) h_psi:vnl : 17.16s CPU 17.40s WALL ( 13242 calls) add_vuspsi : 2.54s CPU 4.71s WALL ( 13242 calls) General routines calbec : 14.59s CPU 12.59s WALL ( 13242 calls) fft : 0.33s CPU 1.35s WALL ( 19 calls) ffts : 0.00s CPU 0.54s WALL ( 4 calls) fftw : 160.80s CPU 165.36s WALL ( 977208 calls) interpolate : 0.01s CPU 0.56s WALL ( 4 calls) davcio : 0.06s CPU 1.57s WALL ( 898 calls) Parallel routines fft_scatter : 109.00s CPU 110.80s WALL ( 977231 calls) PWSCF : 6m58.87s CPU 8m24.74s WALL This run was terminated on: 17:20:45 8Oct2015 =------------------------------------------------------------------------------= JOB DONE. 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