Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 2:30
This program is part of the open-source Quantum ESPRESSO suite
for quantum simulation of materials; please cite
"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
URL http://www.quantum-espresso.org",
in publications or presentations arising from this work. More details at
http://www.quantum-espresso.org/quote
Parallel version (MPI), running on 36 processors
R & G space division: proc/nbgrp/npool/nimage = 36
Waiting for input...
Reading input from standard input
Current dimensions of program PWSCF are:
Max number of different atomic species (ntypx) = 10
Max number of k-points (npk) = 40000
Max angular momentum in pseudopotentials (lmaxx) = 3
Atomic positions and unit cell read from directory:
./P.save/
Subspace diagonalization in iterative solution of the eigenvalue problem:
one sub-group per k-point group (pool) will be used
scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs)
Parallelization info
--------------------
sticks: dense smooth PW G-vecs: dense smooth PW
Min 14 11 3 206 147 25
Max 15 12 4 209 161 29
Sum 513 415 127 7463 5451 965
bravais-lattice index = 14
lattice parameter (alat) = 6.6594 a.u.
unit-cell volume = 195.6033 (a.u.)^3
number of atoms/cell = 2
number of atomic types = 1
number of electrons = 10.00
number of Kohn-Sham states= 18
kinetic-energy cutoff = 35.0000 Ry
charge density cutoff = 172.0000 Ry
Exchange-correlation = PBE ( 1 4 3 4 0 0)
Non magnetic calculation with spin-orbit
celldm(1)= 6.659394 celldm(2)= 1.000000 celldm(3)= 1.000000
celldm(4)= 0.540974 celldm(5)= 0.540974 celldm(6)= 0.540974
crystal axes: (cart. coord. in units of alat)
a(1) = ( 1.000000 0.000000 0.000000 )
a(2) = ( 0.540974 0.841039 0.000000 )
a(3) = ( 0.540974 0.295255 0.787509 )
reciprocal axes: (cart. coord. in units 2 pi/alat)
b(1) = ( 1.000000 -0.643222 -0.445785 )
b(2) = ( 0.000000 1.189005 -0.445785 )
b(3) = ( 0.000000 0.000000 1.269826 )
PseudoPot. # 1 for P read from file:
/users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF
MD5 check sum: 667ec27f6326587e4f0d1734a2230026
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 1147 points, 10 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 1
l(6) = 1
l(7) = 2
l(8) = 2
l(9) = 2
l(10) = 2
Q(r) pseudized with 0 coefficients
atomic species valence mass pseudopotential
P 5.00 30.97380 P( 1.00)
2 Sym. Ops., with inversion, found
s frac. trans.
isym = 1 identity
cryst. s( 1) = ( 1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 2 inversion
cryst. s( 2) = ( -1 0 0 )
( 0 -1 0 )
( 0 0 -1 )
cart. s( 2) = ( -1.0000000 -0.0000000 -0.0000000 )
( 0.0000000 -1.0000000 -0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
double point group C_i (-1)
there are 4 classes and 2 irreducible representations
the character table:
E -E i -i
G_2+ 1.00 -1.00 1.00 -1.00
G_2- 1.00 -1.00 -1.00 1.00
the symmetry operations in each class and the name of the first element:
E 1
identity
-E -1
identity E
i 2
inversion
-i -2
inversion E
Cartesian axes
number of k points= 410 Fermi-Dirac smearing, width (Ry)= 0.0010
cart. coord. in units 2pi/alat
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024390
k( 2) = ( 0.0087719 -0.0056423 -0.0039104), wk = 0.0024390
k( 3) = ( 0.0175439 -0.0112846 -0.0078208), wk = 0.0024390
k( 4) = ( 0.0263158 -0.0169269 -0.0117312), wk = 0.0024390
k( 5) = ( 0.0350877 -0.0225692 -0.0156416), wk = 0.0024390
k( 6) = ( 0.0438597 -0.0282115 -0.0195520), wk = 0.0024390
k( 7) = ( 0.0526316 -0.0338538 -0.0234624), wk = 0.0024390
k( 8) = ( 0.0614035 -0.0394961 -0.0273728), wk = 0.0024390
k( 9) = ( 0.0701754 -0.0451384 -0.0312832), wk = 0.0024390
k( 10) = ( 0.0789474 -0.0507807 -0.0351936), wk = 0.0024390
k( 11) = ( 0.0877193 -0.0564229 -0.0391040), wk = 0.0024390
k( 12) = ( 0.0964912 -0.0620652 -0.0430144), wk = 0.0024390
k( 13) = ( 0.1052632 -0.0677075 -0.0469248), wk = 0.0024390
k( 14) = ( 0.1140351 -0.0733498 -0.0508351), wk = 0.0024390
k( 15) = ( 0.1228070 -0.0789921 -0.0547455), wk = 0.0024390
k( 16) = ( 0.1315790 -0.0846344 -0.0586559), wk = 0.0024390
k( 17) = ( 0.1403509 -0.0902767 -0.0625663), wk = 0.0024390
k( 18) = ( 0.1491228 -0.0959190 -0.0664767), wk = 0.0024390
k( 19) = ( 0.1578947 -0.1015613 -0.0703871), wk = 0.0024390
k( 20) = ( 0.1666667 -0.1072036 -0.0742975), wk = 0.0024390
k( 21) = ( 0.1754386 -0.1128459 -0.0782079), wk = 0.0024390
k( 22) = ( 0.1842105 -0.1184882 -0.0821183), wk = 0.0024390
k( 23) = ( 0.1929825 -0.1241305 -0.0860287), wk = 0.0024390
k( 24) = ( 0.2017544 -0.1297728 -0.0899391), wk = 0.0024390
k( 25) = ( 0.2105263 -0.1354151 -0.0938495), wk = 0.0024390
k( 26) = ( 0.2192983 -0.1410574 -0.0977599), wk = 0.0024390
k( 27) = ( 0.2280702 -0.1466997 -0.1016703), wk = 0.0024390
k( 28) = ( 0.2368421 -0.1523420 -0.1055807), wk = 0.0024390
k( 29) = ( 0.2456140 -0.1579843 -0.1094911), wk = 0.0024390
k( 30) = ( 0.2543860 -0.1636265 -0.1134015), wk = 0.0024390
k( 31) = ( 0.2631579 -0.1692688 -0.1173119), wk = 0.0024390
k( 32) = ( 0.2719298 -0.1749111 -0.1212223), wk = 0.0024390
k( 33) = ( 0.2807018 -0.1805534 -0.1251327), wk = 0.0024390
k( 34) = ( 0.2894737 -0.1861957 -0.1290431), wk = 0.0024390
k( 35) = ( 0.2982456 -0.1918380 -0.1329535), wk = 0.0024390
k( 36) = ( 0.3070175 -0.1974803 -0.1368639), wk = 0.0024390
k( 37) = ( 0.3157895 -0.2031226 -0.1407743), wk = 0.0024390
k( 38) = ( 0.3245614 -0.2087649 -0.1446847), wk = 0.0024390
k( 39) = ( 0.3333333 -0.2144072 -0.1485950), wk = 0.0024390
k( 40) = ( 0.3421053 -0.2200495 -0.1525054), wk = 0.0024390
k( 41) = ( 0.3508772 -0.2256918 -0.1564158), wk = 0.0024390
k( 42) = ( 0.3596491 -0.2313341 -0.1603262), wk = 0.0024390
k( 43) = ( 0.3684211 -0.2369764 -0.1642366), wk = 0.0024390
k( 44) = ( 0.3771930 -0.2426187 -0.1681470), wk = 0.0024390
k( 45) = ( 0.3859649 -0.2482610 -0.1720574), wk = 0.0024390
k( 46) = ( 0.3947368 -0.2539033 -0.1759678), wk = 0.0024390
k( 47) = ( 0.4035088 -0.2595456 -0.1798782), wk = 0.0024390
k( 48) = ( 0.4122807 -0.2651879 -0.1837886), wk = 0.0024390
k( 49) = ( 0.4210526 -0.2708302 -0.1876990), wk = 0.0024390
k( 50) = ( 0.4298246 -0.2764724 -0.1916094), wk = 0.0024390
k( 51) = ( 0.4385965 -0.2821147 -0.1955198), wk = 0.0024390
k( 52) = ( 0.4473684 -0.2877570 -0.1994302), wk = 0.0024390
k( 53) = ( 0.4561404 -0.2933993 -0.2033406), wk = 0.0024390
k( 54) = ( 0.4649123 -0.2990416 -0.2072510), wk = 0.0024390
k( 55) = ( 0.4736842 -0.3046839 -0.2111614), wk = 0.0024390
k( 56) = ( 0.4824561 -0.3103262 -0.2150718), wk = 0.0024390
k( 57) = ( 0.4912281 -0.3159685 -0.2189822), wk = 0.0024390
k( 58) = ( 0.5000000 -0.3216108 -0.2228926), wk = 0.0024390
k( 59) = ( 0.5000000 -0.3216108 -0.2228926), wk = 0.0024390
k( 60) = ( 0.5000000 -0.3152652 -0.2320486), wk = 0.0024390
k( 61) = ( 0.5000000 -0.3089196 -0.2412046), wk = 0.0024390
k( 62) = ( 0.5000000 -0.3025741 -0.2503606), wk = 0.0024390
k( 63) = ( 0.5000000 -0.2962285 -0.2595166), wk = 0.0024390
k( 64) = ( 0.5000000 -0.2898829 -0.2686726), wk = 0.0024390
k( 65) = ( 0.5000000 -0.2835373 -0.2778286), wk = 0.0024390
k( 66) = ( 0.5000000 -0.2771917 -0.2869847), wk = 0.0024390
k( 67) = ( 0.5000000 -0.2708462 -0.2961407), wk = 0.0024390
k( 68) = ( 0.5000000 -0.2645006 -0.3052967), wk = 0.0024390
k( 69) = ( 0.5000000 -0.2581550 -0.3144527), wk = 0.0024390
k( 70) = ( 0.5000000 -0.2518094 -0.3236087), wk = 0.0024390
k( 71) = ( 0.5000000 -0.2454639 -0.3327647), wk = 0.0024390
k( 72) = ( 0.5000000 -0.2391183 -0.3419207), wk = 0.0024390
k( 73) = ( 0.5000000 -0.2327727 -0.3510767), wk = 0.0024390
k( 74) = ( 0.5000000 -0.2264271 -0.3602327), wk = 0.0024390
k( 75) = ( 0.5000000 -0.2200815 -0.3693888), wk = 0.0024390
k( 76) = ( 0.5000000 -0.2137360 -0.3785448), wk = 0.0024390
k( 77) = ( 0.5000000 -0.2073904 -0.3877008), wk = 0.0024390
k( 78) = ( 0.5000000 -0.2010448 -0.3968568), wk = 0.0024390
k( 79) = ( 0.5000000 -0.1946992 -0.4060128), wk = 0.0024390
k( 80) = ( 0.5000000 -0.1883536 -0.4151688), wk = 0.0024390
k( 81) = ( 0.5000000 -0.1820081 -0.4243248), wk = 0.0024390
k( 82) = ( 0.5000000 -0.1756625 -0.4334808), wk = 0.0024390
k( 83) = ( 0.5000000 -0.1693169 -0.4426368), wk = 0.0024390
k( 84) = ( 0.5000000 -0.1629713 -0.4517928), wk = 0.0024390
k( 85) = ( 0.5000000 -0.1566257 -0.4609489), wk = 0.0024390
k( 86) = ( 0.5000000 -0.1502802 -0.4701049), wk = 0.0024390
k( 87) = ( 0.5000000 -0.1439346 -0.4792609), wk = 0.0024390
k( 88) = ( 0.5000000 -0.1375890 -0.4884169), wk = 0.0024390
k( 89) = ( 0.5000000 -0.1312434 -0.4975729), wk = 0.0024390
k( 90) = ( 0.5000000 -0.1248979 -0.5067289), wk = 0.0024390
k( 91) = ( 0.5000000 -0.1185523 -0.5158849), wk = 0.0024390
k( 92) = ( 0.5000000 -0.1122067 -0.5250409), wk = 0.0024390
k( 93) = ( 0.5000000 -0.1058611 -0.5341969), wk = 0.0024390
k( 94) = ( 0.5000000 -0.0995155 -0.5433530), wk = 0.0024390
k( 95) = ( 0.5000000 -0.0931700 -0.5525090), wk = 0.0024390
k( 96) = ( 0.5000000 -0.0868244 -0.5616650), wk = 0.0024390
k( 97) = ( 0.5000000 -0.0804788 -0.5708210), wk = 0.0024390
k( 98) = ( 0.5000000 -0.0741332 -0.5799770), wk = 0.0024390
k( 99) = ( 0.5000000 -0.0677876 -0.5891330), wk = 0.0024390
k( 100) = ( 0.5000000 -0.0614421 -0.5982890), wk = 0.0024390
k( 101) = ( 0.5000000 -0.0550965 -0.6074450), wk = 0.0024390
k( 102) = ( 0.5000000 -0.0487509 -0.6166011), wk = 0.0024390
k( 103) = ( 0.5000000 -0.0424053 -0.6257571), wk = 0.0024390
k( 104) = ( 0.5000000 -0.0360597 -0.6349131), wk = 0.0024390
k( 105) = ( 0.7598404 0.1057570 -0.2566572), wk = 0.0024390
k( 106) = ( 0.7545376 0.1091679 -0.2475596), wk = 0.0024390
k( 107) = ( 0.7492347 0.1125788 -0.2384619), wk = 0.0024390
k( 108) = ( 0.7439318 0.1159897 -0.2293643), wk = 0.0024390
k( 109) = ( 0.7386289 0.1194006 -0.2202666), wk = 0.0024390
k( 110) = ( 0.7333261 0.1228116 -0.2111689), wk = 0.0024390
k( 111) = ( 0.7280232 0.1262225 -0.2020713), wk = 0.0024390
k( 112) = ( 0.7227204 0.1296334 -0.1929736), wk = 0.0024390
k( 113) = ( 0.7174175 0.1330443 -0.1838760), wk = 0.0024390
k( 114) = ( 0.7121146 0.1364552 -0.1747783), wk = 0.0024390
k( 115) = ( 0.7068118 0.1398661 -0.1656807), wk = 0.0024390
k( 116) = ( 0.7015089 0.1432771 -0.1565830), wk = 0.0024390
k( 117) = ( 0.6962060 0.1466880 -0.1474854), wk = 0.0024390
k( 118) = ( 0.6909032 0.1500989 -0.1383877), wk = 0.0024390
k( 119) = ( 0.6856003 0.1535098 -0.1292900), wk = 0.0024390
k( 120) = ( 0.6802974 0.1569207 -0.1201924), wk = 0.0024390
k( 121) = ( 0.6749946 0.1603317 -0.1110947), wk = 0.0024390
k( 122) = ( 0.6696917 0.1637426 -0.1019971), wk = 0.0024390
k( 123) = ( 0.6643888 0.1671535 -0.0928994), wk = 0.0024390
k( 124) = ( 0.6590860 0.1705644 -0.0838018), wk = 0.0024390
k( 125) = ( 0.6537831 0.1739753 -0.0747041), wk = 0.0024390
k( 126) = ( 0.6484802 0.1773862 -0.0656064), wk = 0.0024390
k( 127) = ( 0.6431774 0.1807972 -0.0565088), wk = 0.0024390
k( 128) = ( 0.6378745 0.1842081 -0.0474111), wk = 0.0024390
k( 129) = ( 0.6325716 0.1876190 -0.0383135), wk = 0.0024390
k( 130) = ( 0.6272688 0.1910299 -0.0292158), wk = 0.0024390
k( 131) = ( 0.6219659 0.1944408 -0.0201182), wk = 0.0024390
k( 132) = ( 0.6166630 0.1978517 -0.0110205), wk = 0.0024390
k( 133) = ( 0.6113602 0.2012627 -0.0019229), wk = 0.0024390
k( 134) = ( 0.6060573 0.2046736 0.0071748), wk = 0.0024390
k( 135) = ( 0.6007545 0.2080845 0.0162725), wk = 0.0024390
k( 136) = ( 0.5954516 0.2114954 0.0253701), wk = 0.0024390
k( 137) = ( 0.5901487 0.2149063 0.0344678), wk = 0.0024390
k( 138) = ( 0.5848459 0.2183173 0.0435654), wk = 0.0024390
k( 139) = ( 0.5795430 0.2217282 0.0526631), wk = 0.0024390
k( 140) = ( 0.5742401 0.2251391 0.0617607), wk = 0.0024390
k( 141) = ( 0.5689372 0.2285500 0.0708584), wk = 0.0024390
k( 142) = ( 0.5636344 0.2319609 0.0799561), wk = 0.0024390
k( 143) = ( 0.5583315 0.2353718 0.0890537), wk = 0.0024390
k( 144) = ( 0.5530287 0.2387828 0.0981514), wk = 0.0024390
k( 145) = ( 0.5477258 0.2421937 0.1072490), wk = 0.0024390
k( 146) = ( 0.5424229 0.2456046 0.1163467), wk = 0.0024390
k( 147) = ( 0.5371201 0.2490155 0.1254443), wk = 0.0024390
k( 148) = ( 0.5318172 0.2524264 0.1345420), wk = 0.0024390
k( 149) = ( 0.5265143 0.2558373 0.1436396), wk = 0.0024390
k( 150) = ( 0.5212115 0.2592483 0.1527373), wk = 0.0024390
k( 151) = ( 0.5159086 0.2626592 0.1618350), wk = 0.0024390
k( 152) = ( 0.5106057 0.2660701 0.1709326), wk = 0.0024390
k( 153) = ( 0.5053029 0.2694810 0.1800303), wk = 0.0024390
k( 154) = ( 0.5000000 0.2728919 0.1891279), wk = 0.0024390
k( 155) = ( 0.5000000 0.2728919 0.1891279), wk = 0.0024390
k( 156) = ( 0.4907407 0.2678384 0.1856256), wk = 0.0024390
k( 157) = ( 0.4814815 0.2627848 0.1821232), wk = 0.0024390
k( 158) = ( 0.4722222 0.2577313 0.1786208), wk = 0.0024390
k( 159) = ( 0.4629630 0.2526777 0.1751185), wk = 0.0024390
k( 160) = ( 0.4537037 0.2476242 0.1716161), wk = 0.0024390
k( 161) = ( 0.4444444 0.2425706 0.1681137), wk = 0.0024390
k( 162) = ( 0.4351852 0.2375171 0.1646113), wk = 0.0024390
k( 163) = ( 0.4259259 0.2324635 0.1611090), wk = 0.0024390
k( 164) = ( 0.4166667 0.2274099 0.1576066), wk = 0.0024390
k( 165) = ( 0.4074074 0.2223564 0.1541042), wk = 0.0024390
k( 166) = ( 0.3981481 0.2173028 0.1506019), wk = 0.0024390
k( 167) = ( 0.3888889 0.2122493 0.1470995), wk = 0.0024390
k( 168) = ( 0.3796296 0.2071957 0.1435971), wk = 0.0024390
k( 169) = ( 0.3703704 0.2021422 0.1400948), wk = 0.0024390
k( 170) = ( 0.3611111 0.1970886 0.1365924), wk = 0.0024390
k( 171) = ( 0.3518519 0.1920351 0.1330900), wk = 0.0024390
k( 172) = ( 0.3425926 0.1869815 0.1295877), wk = 0.0024390
k( 173) = ( 0.3333333 0.1819280 0.1260853), wk = 0.0024390
k( 174) = ( 0.3240741 0.1768744 0.1225829), wk = 0.0024390
k( 175) = ( 0.3148148 0.1718208 0.1190805), wk = 0.0024390
k( 176) = ( 0.3055556 0.1667673 0.1155782), wk = 0.0024390
k( 177) = ( 0.2962963 0.1617137 0.1120758), wk = 0.0024390
k( 178) = ( 0.2870370 0.1566602 0.1085734), wk = 0.0024390
k( 179) = ( 0.2777778 0.1516066 0.1050711), wk = 0.0024390
k( 180) = ( 0.2685185 0.1465531 0.1015687), wk = 0.0024390
k( 181) = ( 0.2592593 0.1414995 0.0980663), wk = 0.0024390
k( 182) = ( 0.2500000 0.1364460 0.0945640), wk = 0.0024390
k( 183) = ( 0.2407407 0.1313924 0.0910616), wk = 0.0024390
k( 184) = ( 0.2314815 0.1263389 0.0875592), wk = 0.0024390
k( 185) = ( 0.2222222 0.1212853 0.0840569), wk = 0.0024390
k( 186) = ( 0.2129630 0.1162317 0.0805545), wk = 0.0024390
k( 187) = ( 0.2037037 0.1111782 0.0770521), wk = 0.0024390
k( 188) = ( 0.1944444 0.1061246 0.0735497), wk = 0.0024390
k( 189) = ( 0.1851852 0.1010711 0.0700474), wk = 0.0024390
k( 190) = ( 0.1759259 0.0960175 0.0665450), wk = 0.0024390
k( 191) = ( 0.1666667 0.0909640 0.0630426), wk = 0.0024390
k( 192) = ( 0.1574074 0.0859104 0.0595403), wk = 0.0024390
k( 193) = ( 0.1481482 0.0808569 0.0560379), wk = 0.0024390
k( 194) = ( 0.1388889 0.0758033 0.0525355), wk = 0.0024390
k( 195) = ( 0.1296296 0.0707498 0.0490332), wk = 0.0024390
k( 196) = ( 0.1203704 0.0656962 0.0455308), wk = 0.0024390
k( 197) = ( 0.1111111 0.0606427 0.0420284), wk = 0.0024390
k( 198) = ( 0.1018518 0.0555891 0.0385261), wk = 0.0024390
k( 199) = ( 0.0925926 0.0505355 0.0350237), wk = 0.0024390
k( 200) = ( 0.0833333 0.0454820 0.0315213), wk = 0.0024390
k( 201) = ( 0.0740741 0.0404284 0.0280190), wk = 0.0024390
k( 202) = ( 0.0648148 0.0353749 0.0245166), wk = 0.0024390
k( 203) = ( 0.0555556 0.0303213 0.0210142), wk = 0.0024390
k( 204) = ( 0.0462963 0.0252678 0.0175118), wk = 0.0024390
k( 205) = ( 0.0370370 0.0202142 0.0140095), wk = 0.0024390
k( 206) = ( 0.0277778 0.0151607 0.0105071), wk = 0.0024390
k( 207) = ( 0.0185185 0.0101071 0.0070047), wk = 0.0024390
k( 208) = ( 0.0092593 0.0050536 0.0035024), wk = 0.0024390
k( 209) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024390
k( 210) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024390
k( 211) = ( 0.0053635 -0.0034499 -0.0092016), wk = 0.0024390
k( 212) = ( 0.0107270 -0.0068998 -0.0184033), wk = 0.0024390
k( 213) = ( 0.0160904 -0.0103497 -0.0276049), wk = 0.0024390
k( 214) = ( 0.0214539 -0.0137996 -0.0368066), wk = 0.0024390
k( 215) = ( 0.0268174 -0.0172495 -0.0460082), wk = 0.0024390
k( 216) = ( 0.0321808 -0.0206994 -0.0552098), wk = 0.0024390
k( 217) = ( 0.0375443 -0.0241493 -0.0644115), wk = 0.0024390
k( 218) = ( 0.0429078 -0.0275992 -0.0736131), wk = 0.0024390
k( 219) = ( 0.0482713 -0.0310491 -0.0828148), wk = 0.0024390
k( 220) = ( 0.0536348 -0.0344990 -0.0920164), wk = 0.0024390
k( 221) = ( 0.0589982 -0.0379489 -0.1012180), wk = 0.0024390
k( 222) = ( 0.0643617 -0.0413988 -0.1104197), wk = 0.0024390
k( 223) = ( 0.0697252 -0.0448487 -0.1196213), wk = 0.0024390
k( 224) = ( 0.0750887 -0.0482986 -0.1288229), wk = 0.0024390
k( 225) = ( 0.0804521 -0.0517485 -0.1380246), wk = 0.0024390
k( 226) = ( 0.0858156 -0.0551984 -0.1472262), wk = 0.0024390
k( 227) = ( 0.0911791 -0.0586484 -0.1564279), wk = 0.0024390
k( 228) = ( 0.0965426 -0.0620983 -0.1656295), wk = 0.0024390
k( 229) = ( 0.1019060 -0.0655482 -0.1748311), wk = 0.0024390
k( 230) = ( 0.1072695 -0.0689981 -0.1840328), wk = 0.0024390
k( 231) = ( 0.1126330 -0.0724480 -0.1932344), wk = 0.0024390
k( 232) = ( 0.1179965 -0.0758979 -0.2024361), wk = 0.0024390
k( 233) = ( 0.1233599 -0.0793478 -0.2116377), wk = 0.0024390
k( 234) = ( 0.1287234 -0.0827977 -0.2208393), wk = 0.0024390
k( 235) = ( 0.1340869 -0.0862476 -0.2300410), wk = 0.0024390
k( 236) = ( 0.1394504 -0.0896975 -0.2392426), wk = 0.0024390
k( 237) = ( 0.1448138 -0.0931474 -0.2484442), wk = 0.0024390
k( 238) = ( 0.1501773 -0.0965973 -0.2576459), wk = 0.0024390
k( 239) = ( 0.1555408 -0.1000472 -0.2668475), wk = 0.0024390
k( 240) = ( 0.1609043 -0.1034971 -0.2760492), wk = 0.0024390
k( 241) = ( 0.1662677 -0.1069470 -0.2852508), wk = 0.0024390
k( 242) = ( 0.1716312 -0.1103969 -0.2944524), wk = 0.0024390
k( 243) = ( 0.1769947 -0.1138468 -0.3036541), wk = 0.0024390
k( 244) = ( 0.1823582 -0.1172967 -0.3128557), wk = 0.0024390
k( 245) = ( 0.1877216 -0.1207466 -0.3220573), wk = 0.0024390
k( 246) = ( 0.1930851 -0.1241965 -0.3312590), wk = 0.0024390
k( 247) = ( 0.1984486 -0.1276464 -0.3404606), wk = 0.0024390
k( 248) = ( 0.2038121 -0.1310963 -0.3496623), wk = 0.0024390
k( 249) = ( 0.2091755 -0.1345462 -0.3588639), wk = 0.0024390
k( 250) = ( 0.2145390 -0.1379961 -0.3680655), wk = 0.0024390
k( 251) = ( 0.2199025 -0.1414460 -0.3772672), wk = 0.0024390
k( 252) = ( 0.2252660 -0.1448959 -0.3864688), wk = 0.0024390
k( 253) = ( 0.2306294 -0.1483458 -0.3956705), wk = 0.0024390
k( 254) = ( 0.2359929 -0.1517957 -0.4048721), wk = 0.0024390
k( 255) = ( 0.2413564 -0.1552456 -0.4140737), wk = 0.0024390
k( 256) = ( 0.2467199 -0.1586955 -0.4232754), wk = 0.0024390
k( 257) = ( 0.2520833 -0.1621455 -0.4324770), wk = 0.0024390
k( 258) = ( 0.2574468 -0.1655954 -0.4416787), wk = 0.0024390
k( 259) = ( 0.2628103 -0.1690453 -0.4508803), wk = 0.0024390
k( 260) = ( 0.2681738 -0.1724952 -0.4600819), wk = 0.0024390
k( 261) = ( 0.2735372 -0.1759451 -0.4692836), wk = 0.0024390
k( 262) = ( 0.2789007 -0.1793950 -0.4784852), wk = 0.0024390
k( 263) = ( 0.2842642 -0.1828449 -0.4876869), wk = 0.0024390
k( 264) = ( 0.2896277 -0.1862948 -0.4968885), wk = 0.0024390
k( 265) = ( 0.2949911 -0.1897447 -0.5060901), wk = 0.0024390
k( 266) = ( 0.3003546 -0.1931946 -0.5152918), wk = 0.0024390
k( 267) = ( 0.3057181 -0.1966445 -0.5244934), wk = 0.0024390
k( 268) = ( 0.3110816 -0.2000944 -0.5336951), wk = 0.0024390
k( 269) = ( 0.3164450 -0.2035443 -0.5428967), wk = 0.0024390
k( 270) = ( 0.3218085 -0.2069942 -0.5520983), wk = 0.0024390
k( 271) = ( 0.3271720 -0.2104441 -0.5613000), wk = 0.0024390
k( 272) = ( 0.3325355 -0.2138940 -0.5705016), wk = 0.0024390
k( 273) = ( 0.3378989 -0.2173439 -0.5797032), wk = 0.0024390
k( 274) = ( 0.3432624 -0.2207938 -0.5889049), wk = 0.0024390
k( 275) = ( 0.3486259 -0.2242437 -0.5981065), wk = 0.0024390
k( 276) = ( 0.3539894 -0.2276936 -0.6073082), wk = 0.0024390
k( 277) = ( 0.3593528 -0.2311435 -0.6165098), wk = 0.0024390
k( 278) = ( 0.3647163 -0.2345934 -0.6257114), wk = 0.0024390
k( 279) = ( 0.3700798 -0.2380433 -0.6349131), wk = 0.0024390
k( 280) = ( 0.6299202 0.0348486 -0.4457851), wk = 0.0024390
k( 281) = ( 0.6247234 0.0443703 -0.4457851), wk = 0.0024390
k( 282) = ( 0.6195266 0.0538921 -0.4457851), wk = 0.0024390
k( 283) = ( 0.6143298 0.0634138 -0.4457851), wk = 0.0024390
k( 284) = ( 0.6091330 0.0729356 -0.4457851), wk = 0.0024390
k( 285) = ( 0.6039362 0.0824573 -0.4457851), wk = 0.0024390
k( 286) = ( 0.5987394 0.0919790 -0.4457851), wk = 0.0024390
k( 287) = ( 0.5935426 0.1015007 -0.4457851), wk = 0.0024390
k( 288) = ( 0.5883457 0.1110225 -0.4457851), wk = 0.0024390
k( 289) = ( 0.5831489 0.1205442 -0.4457851), wk = 0.0024390
k( 290) = ( 0.5779521 0.1300659 -0.4457851), wk = 0.0024390
k( 291) = ( 0.5727553 0.1395877 -0.4457851), wk = 0.0024390
k( 292) = ( 0.5675585 0.1491094 -0.4457851), wk = 0.0024390
k( 293) = ( 0.5623617 0.1586311 -0.4457851), wk = 0.0024390
k( 294) = ( 0.5571649 0.1681529 -0.4457851), wk = 0.0024390
k( 295) = ( 0.5519681 0.1776746 -0.4457851), wk = 0.0024390
k( 296) = ( 0.5467713 0.1871963 -0.4457851), wk = 0.0024390
k( 297) = ( 0.5415745 0.1967181 -0.4457851), wk = 0.0024390
k( 298) = ( 0.5363777 0.2062398 -0.4457851), wk = 0.0024390
k( 299) = ( 0.5311809 0.2157615 -0.4457851), wk = 0.0024390
k( 300) = ( 0.5259840 0.2252833 -0.4457851), wk = 0.0024390
k( 301) = ( 0.5207872 0.2348050 -0.4457851), wk = 0.0024390
k( 302) = ( 0.5155904 0.2443267 -0.4457851), wk = 0.0024390
k( 303) = ( 0.5103936 0.2538485 -0.4457851), wk = 0.0024390
k( 304) = ( 0.5051968 0.2633702 -0.4457851), wk = 0.0024390
k( 305) = ( 0.5000000 0.2728919 -0.4457851), wk = 0.0024390
k( 306) = ( 0.5000000 0.2728919 -0.4457851), wk = 0.0024390
k( 307) = ( 0.5059055 0.2761150 -0.4371884), wk = 0.0024390
k( 308) = ( 0.5118109 0.2793382 -0.4285917), wk = 0.0024390
k( 309) = ( 0.5177164 0.2825613 -0.4199950), wk = 0.0024390
k( 310) = ( 0.5236219 0.2857844 -0.4113983), wk = 0.0024390
k( 311) = ( 0.5295273 0.2890075 -0.4028015), wk = 0.0024390
k( 312) = ( 0.5354328 0.2922306 -0.3942048), wk = 0.0024390
k( 313) = ( 0.5413383 0.2954537 -0.3856081), wk = 0.0024390
k( 314) = ( 0.5472437 0.2986768 -0.3770114), wk = 0.0024390
k( 315) = ( 0.5531492 0.3018999 -0.3684146), wk = 0.0024390
k( 316) = ( 0.5590546 0.3051230 -0.3598179), wk = 0.0024390
k( 317) = ( 0.5649601 0.3083461 -0.3512212), wk = 0.0024390
k( 318) = ( 0.5708656 0.3115692 -0.3426245), wk = 0.0024390
k( 319) = ( 0.5767710 0.3147923 -0.3340277), wk = 0.0024390
k( 320) = ( 0.5826765 0.3180154 -0.3254310), wk = 0.0024390
k( 321) = ( 0.5885820 0.3212385 -0.3168343), wk = 0.0024390
k( 322) = ( 0.5944874 0.3244616 -0.3082376), wk = 0.0024390
k( 323) = ( 0.6003929 0.3276848 -0.2996408), wk = 0.0024390
k( 324) = ( 0.6062983 0.3309079 -0.2910441), wk = 0.0024390
k( 325) = ( 0.6122038 0.3341310 -0.2824474), wk = 0.0024390
k( 326) = ( 0.6181093 0.3373541 -0.2738507), wk = 0.0024390
k( 327) = ( 0.6240147 0.3405772 -0.2652539), wk = 0.0024390
k( 328) = ( 0.6299202 0.3438003 -0.2566572), wk = 0.0024390
k( 329) = ( 0.6299202 0.3438003 -0.2566572), wk = 0.0024390
k( 330) = ( 0.6268269 0.3421120 -0.2460433), wk = 0.0024390
k( 331) = ( 0.6237335 0.3404237 -0.2354294), wk = 0.0024390
k( 332) = ( 0.6206402 0.3387354 -0.2248154), wk = 0.0024390
k( 333) = ( 0.6175468 0.3370471 -0.2142015), wk = 0.0024390
k( 334) = ( 0.6144535 0.3353588 -0.2035876), wk = 0.0024390
k( 335) = ( 0.6113602 0.3336705 -0.1929736), wk = 0.0024390
k( 336) = ( 0.6082668 0.3319822 -0.1823597), wk = 0.0024390
k( 337) = ( 0.6051735 0.3302939 -0.1717458), wk = 0.0024390
k( 338) = ( 0.6020802 0.3286056 -0.1611318), wk = 0.0024390
k( 339) = ( 0.5989868 0.3269173 -0.1505179), wk = 0.0024390
k( 340) = ( 0.5958935 0.3252291 -0.1399040), wk = 0.0024390
k( 341) = ( 0.5928001 0.3235408 -0.1292900), wk = 0.0024390
k( 342) = ( 0.5897068 0.3218525 -0.1186761), wk = 0.0024390
k( 343) = ( 0.5866135 0.3201642 -0.1080622), wk = 0.0024390
k( 344) = ( 0.5835201 0.3184759 -0.0974482), wk = 0.0024390
k( 345) = ( 0.5804268 0.3167876 -0.0868343), wk = 0.0024390
k( 346) = ( 0.5773335 0.3150993 -0.0762204), wk = 0.0024390
k( 347) = ( 0.5742401 0.3134110 -0.0656064), wk = 0.0024390
k( 348) = ( 0.5711468 0.3117227 -0.0549925), wk = 0.0024390
k( 349) = ( 0.5680534 0.3100344 -0.0443786), wk = 0.0024390
k( 350) = ( 0.5649601 0.3083461 -0.0337646), wk = 0.0024390
k( 351) = ( 0.5618668 0.3066578 -0.0231507), wk = 0.0024390
k( 352) = ( 0.5587734 0.3049695 -0.0125368), wk = 0.0024390
k( 353) = ( 0.5556801 0.3032812 -0.0019229), wk = 0.0024390
k( 354) = ( 0.5525868 0.3015929 0.0086911), wk = 0.0024390
k( 355) = ( 0.5494934 0.2999046 0.0193050), wk = 0.0024390
k( 356) = ( 0.5464001 0.2982163 0.0299189), wk = 0.0024390
k( 357) = ( 0.5433067 0.2965281 0.0405329), wk = 0.0024390
k( 358) = ( 0.5402134 0.2948398 0.0511468), wk = 0.0024390
k( 359) = ( 0.5371201 0.2931515 0.0617607), wk = 0.0024390
k( 360) = ( 0.5340267 0.2914632 0.0723747), wk = 0.0024390
k( 361) = ( 0.5309334 0.2897749 0.0829886), wk = 0.0024390
k( 362) = ( 0.5278400 0.2880866 0.0936025), wk = 0.0024390
k( 363) = ( 0.5247467 0.2863983 0.1042165), wk = 0.0024390
k( 364) = ( 0.5216534 0.2847100 0.1148304), wk = 0.0024390
k( 365) = ( 0.5185600 0.2830217 0.1254443), wk = 0.0024390
k( 366) = ( 0.5154667 0.2813334 0.1360583), wk = 0.0024390
k( 367) = ( 0.5123733 0.2796451 0.1466722), wk = 0.0024390
k( 368) = ( 0.5092800 0.2779568 0.1572861), wk = 0.0024390
k( 369) = ( 0.5061867 0.2762685 0.1679001), wk = 0.0024390
k( 370) = ( 0.5030933 0.2745802 0.1785140), wk = 0.0024390
k( 371) = ( 0.5000000 0.2728919 0.1891279), wk = 0.0024390
k( 372) = ( 0.5000000 -0.3216108 -0.2228926), wk = 0.0024390
k( 373) = ( 0.5068379 -0.3144294 -0.2179155), wk = 0.0024390
k( 374) = ( 0.5136758 -0.3072481 -0.2129385), wk = 0.0024390
k( 375) = ( 0.5205137 -0.3000667 -0.2079614), wk = 0.0024390
k( 376) = ( 0.5273516 -0.2928853 -0.2029844), wk = 0.0024390
k( 377) = ( 0.5341895 -0.2857040 -0.1980073), wk = 0.0024390
k( 378) = ( 0.5410274 -0.2785226 -0.1930303), wk = 0.0024390
k( 379) = ( 0.5478653 -0.2713412 -0.1880532), wk = 0.0024390
k( 380) = ( 0.5547032 -0.2641599 -0.1830762), wk = 0.0024390
k( 381) = ( 0.5615412 -0.2569785 -0.1780991), wk = 0.0024390
k( 382) = ( 0.5683791 -0.2497971 -0.1731221), wk = 0.0024390
k( 383) = ( 0.5752170 -0.2426158 -0.1681450), wk = 0.0024390
k( 384) = ( 0.5820549 -0.2354344 -0.1631680), wk = 0.0024390
k( 385) = ( 0.5888928 -0.2282530 -0.1581909), wk = 0.0024390
k( 386) = ( 0.5957307 -0.2210717 -0.1532139), wk = 0.0024390
k( 387) = ( 0.6025686 -0.2138903 -0.1482368), wk = 0.0024390
k( 388) = ( 0.6094065 -0.2067089 -0.1432598), wk = 0.0024390
k( 389) = ( 0.6162444 -0.1995276 -0.1382827), wk = 0.0024390
k( 390) = ( 0.6230823 -0.1923462 -0.1333057), wk = 0.0024390
k( 391) = ( 0.6299202 -0.1851648 -0.1283286), wk = 0.0024390
k( 392) = ( 0.6367581 -0.1779835 -0.1233516), wk = 0.0024390
k( 393) = ( 0.6435960 -0.1708021 -0.1183745), wk = 0.0024390
k( 394) = ( 0.6504339 -0.1636207 -0.1133975), wk = 0.0024390
k( 395) = ( 0.6572718 -0.1564394 -0.1084204), wk = 0.0024390
k( 396) = ( 0.6641097 -0.1492580 -0.1034434), wk = 0.0024390
k( 397) = ( 0.6709476 -0.1420766 -0.0984663), wk = 0.0024390
k( 398) = ( 0.6777855 -0.1348953 -0.0934893), wk = 0.0024390
k( 399) = ( 0.6846235 -0.1277139 -0.0885122), wk = 0.0024390
k( 400) = ( 0.6914614 -0.1205325 -0.0835352), wk = 0.0024390
k( 401) = ( 0.6982993 -0.1133512 -0.0785581), wk = 0.0024390
k( 402) = ( 0.7051372 -0.1061698 -0.0735811), wk = 0.0024390
k( 403) = ( 0.7119751 -0.0989884 -0.0686040), wk = 0.0024390
k( 404) = ( 0.7188130 -0.0918071 -0.0636270), wk = 0.0024390
k( 405) = ( 0.7256509 -0.0846257 -0.0586499), wk = 0.0024390
k( 406) = ( 0.7324888 -0.0774443 -0.0536728), wk = 0.0024390
k( 407) = ( 0.7393267 -0.0702630 -0.0486958), wk = 0.0024390
k( 408) = ( 0.7461646 -0.0630816 -0.0437187), wk = 0.0024390
k( 409) = ( 0.7530025 -0.0559002 -0.0387417), wk = 0.0024390
k( 410) = ( 0.7598404 -0.0487189 -0.0337646), wk = 0.0024390
cryst. coord.
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024390
k( 2) = ( 0.0087719 0.0000000 -0.0000000), wk = 0.0024390
k( 3) = ( 0.0175439 0.0000000 -0.0000000), wk = 0.0024390
k( 4) = ( 0.0263158 0.0000000 0.0000000), wk = 0.0024390
k( 5) = ( 0.0350877 0.0000000 -0.0000000), wk = 0.0024390
k( 6) = ( 0.0438597 -0.0000000 -0.0000000), wk = 0.0024390
k( 7) = ( 0.0526316 0.0000000 0.0000000), wk = 0.0024390
k( 8) = ( 0.0614035 0.0000000 0.0000000), wk = 0.0024390
k( 9) = ( 0.0701754 0.0000000 -0.0000000), wk = 0.0024390
k( 10) = ( 0.0789474 -0.0000000 0.0000000), wk = 0.0024390
k( 11) = ( 0.0877193 -0.0000000 -0.0000000), wk = 0.0024390
k( 12) = ( 0.0964912 -0.0000000 -0.0000000), wk = 0.0024390
k( 13) = ( 0.1052632 0.0000000 0.0000000), wk = 0.0024390
k( 14) = ( 0.1140351 -0.0000000 -0.0000000), wk = 0.0024390
k( 15) = ( 0.1228070 0.0000000 0.0000000), wk = 0.0024390
k( 16) = ( 0.1315790 -0.0000000 -0.0000000), wk = 0.0024390
k( 17) = ( 0.1403509 0.0000000 -0.0000000), wk = 0.0024390
k( 18) = ( 0.1491228 0.0000000 -0.0000000), wk = 0.0024390
k( 19) = ( 0.1578947 -0.0000000 0.0000000), wk = 0.0024390
k( 20) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0024390
k( 21) = ( 0.1754386 -0.0000000 -0.0000000), wk = 0.0024390
k( 22) = ( 0.1842105 -0.0000000 -0.0000000), wk = 0.0024390
k( 23) = ( 0.1929825 -0.0000000 -0.0000000), wk = 0.0024390
k( 24) = ( 0.2017544 -0.0000000 -0.0000000), wk = 0.0024390
k( 25) = ( 0.2105263 0.0000000 0.0000000), wk = 0.0024390
k( 26) = ( 0.2192983 0.0000000 -0.0000000), wk = 0.0024390
k( 27) = ( 0.2280702 -0.0000000 -0.0000000), wk = 0.0024390
k( 28) = ( 0.2368421 0.0000000 -0.0000000), wk = 0.0024390
k( 29) = ( 0.2456140 0.0000000 0.0000000), wk = 0.0024390
k( 30) = ( 0.2543860 -0.0000000 -0.0000000), wk = 0.0024390
k( 31) = ( 0.2631579 -0.0000000 -0.0000000), wk = 0.0024390
k( 32) = ( 0.2719298 0.0000000 -0.0000000), wk = 0.0024390
k( 33) = ( 0.2807018 -0.0000000 0.0000000), wk = 0.0024390
k( 34) = ( 0.2894737 -0.0000000 -0.0000000), wk = 0.0024390
k( 35) = ( 0.2982456 0.0000000 -0.0000000), wk = 0.0024390
k( 36) = ( 0.3070175 0.0000000 0.0000000), wk = 0.0024390
k( 37) = ( 0.3157895 0.0000000 -0.0000000), wk = 0.0024390
k( 38) = ( 0.3245614 -0.0000000 -0.0000000), wk = 0.0024390
k( 39) = ( 0.3333333 0.0000000 -0.0000000), wk = 0.0024390
k( 40) = ( 0.3421053 -0.0000000 -0.0000000), wk = 0.0024390
k( 41) = ( 0.3508772 0.0000000 -0.0000000), wk = 0.0024390
k( 42) = ( 0.3596491 -0.0000000 -0.0000000), wk = 0.0024390
k( 43) = ( 0.3684211 0.0000000 -0.0000000), wk = 0.0024390
k( 44) = ( 0.3771930 0.0000000 0.0000000), wk = 0.0024390
k( 45) = ( 0.3859649 0.0000000 -0.0000000), wk = 0.0024390
k( 46) = ( 0.3947368 0.0000000 -0.0000000), wk = 0.0024390
k( 47) = ( 0.4035088 -0.0000000 -0.0000000), wk = 0.0024390
k( 48) = ( 0.4122807 -0.0000000 -0.0000000), wk = 0.0024390
k( 49) = ( 0.4210526 -0.0000000 -0.0000000), wk = 0.0024390
k( 50) = ( 0.4298246 -0.0000000 -0.0000000), wk = 0.0024390
k( 51) = ( 0.4385965 -0.0000000 -0.0000000), wk = 0.0024390
k( 52) = ( 0.4473684 0.0000000 -0.0000000), wk = 0.0024390
k( 53) = ( 0.4561404 -0.0000000 -0.0000000), wk = 0.0024390
k( 54) = ( 0.4649123 0.0000000 -0.0000000), wk = 0.0024390
k( 55) = ( 0.4736842 0.0000000 -0.0000000), wk = 0.0024390
k( 56) = ( 0.4824561 -0.0000000 -0.0000000), wk = 0.0024390
k( 57) = ( 0.4912281 0.0000000 -0.0000000), wk = 0.0024390
k( 58) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0024390
k( 59) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0024390
k( 60) = ( 0.5000000 0.0053369 -0.0053369), wk = 0.0024390
k( 61) = ( 0.5000000 0.0106738 -0.0106738), wk = 0.0024390
k( 62) = ( 0.5000000 0.0160106 -0.0160106), wk = 0.0024390
k( 63) = ( 0.5000000 0.0213475 -0.0213475), wk = 0.0024390
k( 64) = ( 0.5000000 0.0266844 -0.0266844), wk = 0.0024390
k( 65) = ( 0.5000000 0.0320213 -0.0320213), wk = 0.0024390
k( 66) = ( 0.5000000 0.0373582 -0.0373582), wk = 0.0024390
k( 67) = ( 0.5000000 0.0426950 -0.0426950), wk = 0.0024390
k( 68) = ( 0.5000000 0.0480319 -0.0480319), wk = 0.0024390
k( 69) = ( 0.5000000 0.0533688 -0.0533688), wk = 0.0024390
k( 70) = ( 0.5000000 0.0587057 -0.0587057), wk = 0.0024390
k( 71) = ( 0.5000000 0.0640426 -0.0640426), wk = 0.0024390
k( 72) = ( 0.5000000 0.0693794 -0.0693794), wk = 0.0024390
k( 73) = ( 0.5000000 0.0747163 -0.0747163), wk = 0.0024390
k( 74) = ( 0.5000000 0.0800532 -0.0800532), wk = 0.0024390
k( 75) = ( 0.5000000 0.0853901 -0.0853901), wk = 0.0024390
k( 76) = ( 0.5000000 0.0907270 -0.0907270), wk = 0.0024390
k( 77) = ( 0.5000000 0.0960638 -0.0960638), wk = 0.0024390
k( 78) = ( 0.5000000 0.1014007 -0.1014007), wk = 0.0024390
k( 79) = ( 0.5000000 0.1067376 -0.1067376), wk = 0.0024390
k( 80) = ( 0.5000000 0.1120745 -0.1120745), wk = 0.0024390
k( 81) = ( 0.5000000 0.1174114 -0.1174114), wk = 0.0024390
k( 82) = ( 0.5000000 0.1227482 -0.1227482), wk = 0.0024390
k( 83) = ( 0.5000000 0.1280851 -0.1280851), wk = 0.0024390
k( 84) = ( 0.5000000 0.1334220 -0.1334220), wk = 0.0024390
k( 85) = ( 0.5000000 0.1387589 -0.1387589), wk = 0.0024390
k( 86) = ( 0.5000000 0.1440958 -0.1440957), wk = 0.0024390
k( 87) = ( 0.5000000 0.1494326 -0.1494326), wk = 0.0024390
k( 88) = ( 0.5000000 0.1547695 -0.1547695), wk = 0.0024390
k( 89) = ( 0.5000000 0.1601064 -0.1601064), wk = 0.0024390
k( 90) = ( 0.5000000 0.1654433 -0.1654433), wk = 0.0024390
k( 91) = ( 0.5000000 0.1707802 -0.1707802), wk = 0.0024390
k( 92) = ( 0.5000000 0.1761170 -0.1761170), wk = 0.0024390
k( 93) = ( 0.5000000 0.1814539 -0.1814539), wk = 0.0024390
k( 94) = ( 0.5000000 0.1867908 -0.1867908), wk = 0.0024390
k( 95) = ( 0.5000000 0.1921277 -0.1921277), wk = 0.0024390
k( 96) = ( 0.5000000 0.1974646 -0.1974645), wk = 0.0024390
k( 97) = ( 0.5000000 0.2028014 -0.2028014), wk = 0.0024390
k( 98) = ( 0.5000000 0.2081383 -0.2081383), wk = 0.0024390
k( 99) = ( 0.5000000 0.2134752 -0.2134752), wk = 0.0024390
k( 100) = ( 0.5000000 0.2188121 -0.2188121), wk = 0.0024390
k( 101) = ( 0.5000000 0.2241490 -0.2241490), wk = 0.0024390
k( 102) = ( 0.5000000 0.2294858 -0.2294858), wk = 0.0024390
k( 103) = ( 0.5000000 0.2348227 -0.2348227), wk = 0.0024390
k( 104) = ( 0.5000000 0.2401596 -0.2401596), wk = 0.0024390
k( 105) = ( 0.7598404 0.5000000 0.2401596), wk = 0.0024390
k( 106) = ( 0.7545376 0.5000000 0.2454625), wk = 0.0024390
k( 107) = ( 0.7492347 0.5000000 0.2507653), wk = 0.0024390
k( 108) = ( 0.7439318 0.5000000 0.2560682), wk = 0.0024390
k( 109) = ( 0.7386289 0.5000000 0.2613710), wk = 0.0024390
k( 110) = ( 0.7333261 0.5000000 0.2666739), wk = 0.0024390
k( 111) = ( 0.7280232 0.5000000 0.2719768), wk = 0.0024390
k( 112) = ( 0.7227204 0.5000000 0.2772796), wk = 0.0024390
k( 113) = ( 0.7174175 0.5000000 0.2825825), wk = 0.0024390
k( 114) = ( 0.7121146 0.5000000 0.2878854), wk = 0.0024390
k( 115) = ( 0.7068118 0.5000000 0.2931882), wk = 0.0024390
k( 116) = ( 0.7015089 0.5000000 0.2984911), wk = 0.0024390
k( 117) = ( 0.6962060 0.5000000 0.3037940), wk = 0.0024390
k( 118) = ( 0.6909032 0.5000000 0.3090968), wk = 0.0024390
k( 119) = ( 0.6856003 0.5000000 0.3143997), wk = 0.0024390
k( 120) = ( 0.6802974 0.5000000 0.3197026), wk = 0.0024390
k( 121) = ( 0.6749946 0.5000000 0.3250054), wk = 0.0024390
k( 122) = ( 0.6696917 0.5000000 0.3303083), wk = 0.0024390
k( 123) = ( 0.6643888 0.5000000 0.3356112), wk = 0.0024390
k( 124) = ( 0.6590860 0.5000000 0.3409140), wk = 0.0024390
k( 125) = ( 0.6537831 0.5000000 0.3462169), wk = 0.0024390
k( 126) = ( 0.6484802 0.5000000 0.3515198), wk = 0.0024390
k( 127) = ( 0.6431774 0.5000000 0.3568226), wk = 0.0024390
k( 128) = ( 0.6378745 0.5000000 0.3621255), wk = 0.0024390
k( 129) = ( 0.6325716 0.5000000 0.3674284), wk = 0.0024390
k( 130) = ( 0.6272688 0.5000000 0.3727312), wk = 0.0024390
k( 131) = ( 0.6219659 0.5000000 0.3780341), wk = 0.0024390
k( 132) = ( 0.6166630 0.5000000 0.3833370), wk = 0.0024390
k( 133) = ( 0.6113602 0.5000000 0.3886398), wk = 0.0024390
k( 134) = ( 0.6060573 0.5000000 0.3939427), wk = 0.0024390
k( 135) = ( 0.6007545 0.5000000 0.3992456), wk = 0.0024390
k( 136) = ( 0.5954516 0.5000000 0.4045484), wk = 0.0024390
k( 137) = ( 0.5901487 0.5000000 0.4098513), wk = 0.0024390
k( 138) = ( 0.5848459 0.5000000 0.4151542), wk = 0.0024390
k( 139) = ( 0.5795430 0.5000000 0.4204570), wk = 0.0024390
k( 140) = ( 0.5742401 0.5000000 0.4257599), wk = 0.0024390
k( 141) = ( 0.5689372 0.5000000 0.4310628), wk = 0.0024390
k( 142) = ( 0.5636344 0.5000000 0.4363656), wk = 0.0024390
k( 143) = ( 0.5583315 0.5000000 0.4416685), wk = 0.0024390
k( 144) = ( 0.5530287 0.5000000 0.4469713), wk = 0.0024390
k( 145) = ( 0.5477258 0.5000000 0.4522742), wk = 0.0024390
k( 146) = ( 0.5424229 0.5000000 0.4575771), wk = 0.0024390
k( 147) = ( 0.5371201 0.5000000 0.4628799), wk = 0.0024390
k( 148) = ( 0.5318172 0.5000000 0.4681828), wk = 0.0024390
k( 149) = ( 0.5265143 0.5000000 0.4734857), wk = 0.0024390
k( 150) = ( 0.5212115 0.5000000 0.4787885), wk = 0.0024390
k( 151) = ( 0.5159086 0.5000000 0.4840914), wk = 0.0024390
k( 152) = ( 0.5106057 0.5000000 0.4893943), wk = 0.0024390
k( 153) = ( 0.5053029 0.5000000 0.4946971), wk = 0.0024390
k( 154) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024390
k( 155) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024390
k( 156) = ( 0.4907407 0.4907407 0.4907407), wk = 0.0024390
k( 157) = ( 0.4814815 0.4814815 0.4814815), wk = 0.0024390
k( 158) = ( 0.4722222 0.4722222 0.4722222), wk = 0.0024390
k( 159) = ( 0.4629630 0.4629630 0.4629630), wk = 0.0024390
k( 160) = ( 0.4537037 0.4537037 0.4537037), wk = 0.0024390
k( 161) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0024390
k( 162) = ( 0.4351852 0.4351852 0.4351852), wk = 0.0024390
k( 163) = ( 0.4259259 0.4259259 0.4259259), wk = 0.0024390
k( 164) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0024390
k( 165) = ( 0.4074074 0.4074074 0.4074074), wk = 0.0024390
k( 166) = ( 0.3981481 0.3981482 0.3981481), wk = 0.0024390
k( 167) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0024390
k( 168) = ( 0.3796296 0.3796296 0.3796296), wk = 0.0024390
k( 169) = ( 0.3703704 0.3703704 0.3703704), wk = 0.0024390
k( 170) = ( 0.3611111 0.3611111 0.3611111), wk = 0.0024390
k( 171) = ( 0.3518519 0.3518519 0.3518519), wk = 0.0024390
k( 172) = ( 0.3425926 0.3425926 0.3425926), wk = 0.0024390
k( 173) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0024390
k( 174) = ( 0.3240741 0.3240741 0.3240741), wk = 0.0024390
k( 175) = ( 0.3148148 0.3148148 0.3148148), wk = 0.0024390
k( 176) = ( 0.3055556 0.3055556 0.3055556), wk = 0.0024390
k( 177) = ( 0.2962963 0.2962963 0.2962963), wk = 0.0024390
k( 178) = ( 0.2870370 0.2870370 0.2870370), wk = 0.0024390
k( 179) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0024390
k( 180) = ( 0.2685185 0.2685185 0.2685185), wk = 0.0024390
k( 181) = ( 0.2592593 0.2592593 0.2592593), wk = 0.0024390
k( 182) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024390
k( 183) = ( 0.2407407 0.2407407 0.2407407), wk = 0.0024390
k( 184) = ( 0.2314815 0.2314815 0.2314815), wk = 0.0024390
k( 185) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0024390
k( 186) = ( 0.2129630 0.2129630 0.2129630), wk = 0.0024390
k( 187) = ( 0.2037037 0.2037037 0.2037037), wk = 0.0024390
k( 188) = ( 0.1944444 0.1944444 0.1944444), wk = 0.0024390
k( 189) = ( 0.1851852 0.1851852 0.1851852), wk = 0.0024390
k( 190) = ( 0.1759259 0.1759259 0.1759259), wk = 0.0024390
k( 191) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0024390
k( 192) = ( 0.1574074 0.1574074 0.1574074), wk = 0.0024390
k( 193) = ( 0.1481482 0.1481482 0.1481482), wk = 0.0024390
k( 194) = ( 0.1388889 0.1388889 0.1388889), wk = 0.0024390
k( 195) = ( 0.1296296 0.1296296 0.1296296), wk = 0.0024390
k( 196) = ( 0.1203704 0.1203704 0.1203704), wk = 0.0024390
k( 197) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0024390
k( 198) = ( 0.1018518 0.1018519 0.1018519), wk = 0.0024390
k( 199) = ( 0.0925926 0.0925926 0.0925926), wk = 0.0024390
k( 200) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0024390
k( 201) = ( 0.0740741 0.0740741 0.0740741), wk = 0.0024390
k( 202) = ( 0.0648148 0.0648148 0.0648148), wk = 0.0024390
k( 203) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0024390
k( 204) = ( 0.0462963 0.0462963 0.0462963), wk = 0.0024390
k( 205) = ( 0.0370370 0.0370370 0.0370370), wk = 0.0024390
k( 206) = ( 0.0277778 0.0277778 0.0277778), wk = 0.0024390
k( 207) = ( 0.0185185 0.0185185 0.0185185), wk = 0.0024390
k( 208) = ( 0.0092593 0.0092593 0.0092593), wk = 0.0024390
k( 209) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024390
k( 210) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024390
k( 211) = ( 0.0053635 -0.0000000 -0.0053635), wk = 0.0024390
k( 212) = ( 0.0107270 0.0000000 -0.0107270), wk = 0.0024390
k( 213) = ( 0.0160904 0.0000000 -0.0160904), wk = 0.0024390
k( 214) = ( 0.0214539 0.0000000 -0.0214539), wk = 0.0024390
k( 215) = ( 0.0268174 -0.0000000 -0.0268174), wk = 0.0024390
k( 216) = ( 0.0321808 0.0000000 -0.0321808), wk = 0.0024390
k( 217) = ( 0.0375443 0.0000000 -0.0375443), wk = 0.0024390
k( 218) = ( 0.0429078 0.0000000 -0.0429078), wk = 0.0024390
k( 219) = ( 0.0482713 -0.0000000 -0.0482713), wk = 0.0024390
k( 220) = ( 0.0536348 0.0000000 -0.0536348), wk = 0.0024390
k( 221) = ( 0.0589982 -0.0000000 -0.0589982), wk = 0.0024390
k( 222) = ( 0.0643617 0.0000000 -0.0643617), wk = 0.0024390
k( 223) = ( 0.0697252 0.0000000 -0.0697252), wk = 0.0024390
k( 224) = ( 0.0750887 0.0000000 -0.0750887), wk = 0.0024390
k( 225) = ( 0.0804521 0.0000000 -0.0804521), wk = 0.0024390
k( 226) = ( 0.0858156 0.0000000 -0.0858156), wk = 0.0024390
k( 227) = ( 0.0911791 -0.0000000 -0.0911791), wk = 0.0024390
k( 228) = ( 0.0965426 -0.0000000 -0.0965426), wk = 0.0024390
k( 229) = ( 0.1019060 -0.0000000 -0.1019060), wk = 0.0024390
k( 230) = ( 0.1072695 -0.0000000 -0.1072695), wk = 0.0024390
k( 231) = ( 0.1126330 -0.0000000 -0.1126330), wk = 0.0024390
k( 232) = ( 0.1179965 -0.0000000 -0.1179965), wk = 0.0024390
k( 233) = ( 0.1233599 -0.0000000 -0.1233599), wk = 0.0024390
k( 234) = ( 0.1287234 -0.0000000 -0.1287234), wk = 0.0024390
k( 235) = ( 0.1340869 0.0000000 -0.1340869), wk = 0.0024390
k( 236) = ( 0.1394504 0.0000000 -0.1394504), wk = 0.0024390
k( 237) = ( 0.1448138 0.0000000 -0.1448138), wk = 0.0024390
k( 238) = ( 0.1501773 0.0000000 -0.1501773), wk = 0.0024390
k( 239) = ( 0.1555408 0.0000000 -0.1555408), wk = 0.0024390
k( 240) = ( 0.1609043 0.0000000 -0.1609043), wk = 0.0024390
k( 241) = ( 0.1662677 0.0000000 -0.1662677), wk = 0.0024390
k( 242) = ( 0.1716312 0.0000000 -0.1716312), wk = 0.0024390
k( 243) = ( 0.1769947 0.0000000 -0.1769947), wk = 0.0024390
k( 244) = ( 0.1823582 -0.0000000 -0.1823582), wk = 0.0024390
k( 245) = ( 0.1877216 0.0000000 -0.1877216), wk = 0.0024390
k( 246) = ( 0.1930851 0.0000000 -0.1930851), wk = 0.0024390
k( 247) = ( 0.1984486 0.0000000 -0.1984486), wk = 0.0024390
k( 248) = ( 0.2038121 -0.0000000 -0.2038121), wk = 0.0024390
k( 249) = ( 0.2091755 0.0000000 -0.2091755), wk = 0.0024390
k( 250) = ( 0.2145390 -0.0000000 -0.2145390), wk = 0.0024390
k( 251) = ( 0.2199025 -0.0000000 -0.2199025), wk = 0.0024390
k( 252) = ( 0.2252660 -0.0000000 -0.2252660), wk = 0.0024390
k( 253) = ( 0.2306294 0.0000000 -0.2306294), wk = 0.0024390
k( 254) = ( 0.2359929 0.0000000 -0.2359929), wk = 0.0024390
k( 255) = ( 0.2413564 -0.0000000 -0.2413564), wk = 0.0024390
k( 256) = ( 0.2467199 -0.0000000 -0.2467199), wk = 0.0024390
k( 257) = ( 0.2520833 -0.0000000 -0.2520833), wk = 0.0024390
k( 258) = ( 0.2574468 0.0000000 -0.2574468), wk = 0.0024390
k( 259) = ( 0.2628103 0.0000000 -0.2628103), wk = 0.0024390
k( 260) = ( 0.2681738 0.0000000 -0.2681738), wk = 0.0024390
k( 261) = ( 0.2735372 -0.0000000 -0.2735372), wk = 0.0024390
k( 262) = ( 0.2789007 0.0000000 -0.2789007), wk = 0.0024390
k( 263) = ( 0.2842642 0.0000000 -0.2842642), wk = 0.0024390
k( 264) = ( 0.2896277 0.0000000 -0.2896277), wk = 0.0024390
k( 265) = ( 0.2949911 0.0000000 -0.2949911), wk = 0.0024390
k( 266) = ( 0.3003546 0.0000000 -0.3003546), wk = 0.0024390
k( 267) = ( 0.3057181 -0.0000000 -0.3057181), wk = 0.0024390
k( 268) = ( 0.3110816 -0.0000000 -0.3110816), wk = 0.0024390
k( 269) = ( 0.3164450 0.0000000 -0.3164450), wk = 0.0024390
k( 270) = ( 0.3218085 0.0000000 -0.3218085), wk = 0.0024390
k( 271) = ( 0.3271720 -0.0000000 -0.3271720), wk = 0.0024390
k( 272) = ( 0.3325355 0.0000000 -0.3325355), wk = 0.0024390
k( 273) = ( 0.3378989 0.0000000 -0.3378989), wk = 0.0024390
k( 274) = ( 0.3432624 0.0000000 -0.3432624), wk = 0.0024390
k( 275) = ( 0.3486259 0.0000000 -0.3486259), wk = 0.0024390
k( 276) = ( 0.3539894 0.0000000 -0.3539894), wk = 0.0024390
k( 277) = ( 0.3593528 0.0000000 -0.3593528), wk = 0.0024390
k( 278) = ( 0.3647163 -0.0000000 -0.3647163), wk = 0.0024390
k( 279) = ( 0.3700798 0.0000000 -0.3700798), wk = 0.0024390
k( 280) = ( 0.6299202 0.3700798 -0.0000000), wk = 0.0024390
k( 281) = ( 0.6247234 0.3752766 -0.0000000), wk = 0.0024390
k( 282) = ( 0.6195266 0.3804734 -0.0000000), wk = 0.0024390
k( 283) = ( 0.6143298 0.3856702 -0.0000000), wk = 0.0024390
k( 284) = ( 0.6091330 0.3908670 -0.0000000), wk = 0.0024390
k( 285) = ( 0.6039362 0.3960638 -0.0000000), wk = 0.0024390
k( 286) = ( 0.5987394 0.4012606 -0.0000000), wk = 0.0024390
k( 287) = ( 0.5935426 0.4064575 -0.0000000), wk = 0.0024390
k( 288) = ( 0.5883457 0.4116543 0.0000000), wk = 0.0024390
k( 289) = ( 0.5831489 0.4168511 -0.0000000), wk = 0.0024390
k( 290) = ( 0.5779521 0.4220479 -0.0000000), wk = 0.0024390
k( 291) = ( 0.5727553 0.4272447 0.0000000), wk = 0.0024390
k( 292) = ( 0.5675585 0.4324415 -0.0000000), wk = 0.0024390
k( 293) = ( 0.5623617 0.4376383 -0.0000000), wk = 0.0024390
k( 294) = ( 0.5571649 0.4428351 0.0000000), wk = 0.0024390
k( 295) = ( 0.5519681 0.4480319 -0.0000000), wk = 0.0024390
k( 296) = ( 0.5467713 0.4532287 -0.0000000), wk = 0.0024390
k( 297) = ( 0.5415745 0.4584255 0.0000000), wk = 0.0024390
k( 298) = ( 0.5363777 0.4636223 0.0000000), wk = 0.0024390
k( 299) = ( 0.5311809 0.4688192 -0.0000000), wk = 0.0024390
k( 300) = ( 0.5259840 0.4740160 -0.0000000), wk = 0.0024390
k( 301) = ( 0.5207872 0.4792128 -0.0000000), wk = 0.0024390
k( 302) = ( 0.5155904 0.4844096 -0.0000000), wk = 0.0024390
k( 303) = ( 0.5103936 0.4896064 0.0000000), wk = 0.0024390
k( 304) = ( 0.5051968 0.4948032 0.0000000), wk = 0.0024390
k( 305) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024390
k( 306) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024390
k( 307) = ( 0.5059055 0.5059055 0.0109163), wk = 0.0024390
k( 308) = ( 0.5118109 0.5118109 0.0218327), wk = 0.0024390
k( 309) = ( 0.5177164 0.5177164 0.0327490), wk = 0.0024390
k( 310) = ( 0.5236219 0.5236219 0.0436654), wk = 0.0024390
k( 311) = ( 0.5295273 0.5295273 0.0545817), wk = 0.0024390
k( 312) = ( 0.5354328 0.5354328 0.0654981), wk = 0.0024390
k( 313) = ( 0.5413383 0.5413383 0.0764144), wk = 0.0024390
k( 314) = ( 0.5472437 0.5472437 0.0873308), wk = 0.0024390
k( 315) = ( 0.5531492 0.5531492 0.0982471), wk = 0.0024390
k( 316) = ( 0.5590546 0.5590546 0.1091635), wk = 0.0024390
k( 317) = ( 0.5649601 0.5649601 0.1200798), wk = 0.0024390
k( 318) = ( 0.5708656 0.5708656 0.1309961), wk = 0.0024390
k( 319) = ( 0.5767710 0.5767710 0.1419125), wk = 0.0024390
k( 320) = ( 0.5826765 0.5826765 0.1528288), wk = 0.0024390
k( 321) = ( 0.5885820 0.5885820 0.1637452), wk = 0.0024390
k( 322) = ( 0.5944874 0.5944874 0.1746615), wk = 0.0024390
k( 323) = ( 0.6003929 0.6003929 0.1855779), wk = 0.0024390
k( 324) = ( 0.6062983 0.6062984 0.1964942), wk = 0.0024390
k( 325) = ( 0.6122038 0.6122038 0.2074105), wk = 0.0024390
k( 326) = ( 0.6181093 0.6181093 0.2183269), wk = 0.0024390
k( 327) = ( 0.6240147 0.6240147 0.2292432), wk = 0.0024390
k( 328) = ( 0.6299202 0.6299202 0.2401596), wk = 0.0024390
k( 329) = ( 0.6299202 0.6299202 0.2401596), wk = 0.0024390
k( 330) = ( 0.6268269 0.6268269 0.2463463), wk = 0.0024390
k( 331) = ( 0.6237335 0.6237335 0.2525329), wk = 0.0024390
k( 332) = ( 0.6206402 0.6206402 0.2587196), wk = 0.0024390
k( 333) = ( 0.6175468 0.6175469 0.2649063), wk = 0.0024390
k( 334) = ( 0.6144535 0.6144535 0.2710930), wk = 0.0024390
k( 335) = ( 0.6113602 0.6113602 0.2772796), wk = 0.0024390
k( 336) = ( 0.6082668 0.6082668 0.2834663), wk = 0.0024390
k( 337) = ( 0.6051735 0.6051735 0.2896530), wk = 0.0024390
k( 338) = ( 0.6020802 0.6020802 0.2958397), wk = 0.0024390
k( 339) = ( 0.5989868 0.5989868 0.3020264), wk = 0.0024390
k( 340) = ( 0.5958935 0.5958935 0.3082130), wk = 0.0024390
k( 341) = ( 0.5928001 0.5928002 0.3143997), wk = 0.0024390
k( 342) = ( 0.5897068 0.5897068 0.3205864), wk = 0.0024390
k( 343) = ( 0.5866135 0.5866135 0.3267731), wk = 0.0024390
k( 344) = ( 0.5835201 0.5835201 0.3329597), wk = 0.0024390
k( 345) = ( 0.5804268 0.5804268 0.3391464), wk = 0.0024390
k( 346) = ( 0.5773335 0.5773335 0.3453331), wk = 0.0024390
k( 347) = ( 0.5742401 0.5742401 0.3515198), wk = 0.0024390
k( 348) = ( 0.5711468 0.5711468 0.3577064), wk = 0.0024390
k( 349) = ( 0.5680534 0.5680534 0.3638931), wk = 0.0024390
k( 350) = ( 0.5649601 0.5649601 0.3700798), wk = 0.0024390
k( 351) = ( 0.5618668 0.5618668 0.3762665), wk = 0.0024390
k( 352) = ( 0.5587734 0.5587734 0.3824532), wk = 0.0024390
k( 353) = ( 0.5556801 0.5556801 0.3886398), wk = 0.0024390
k( 354) = ( 0.5525868 0.5525868 0.3948265), wk = 0.0024390
k( 355) = ( 0.5494934 0.5494934 0.4010132), wk = 0.0024390
k( 356) = ( 0.5464001 0.5464001 0.4071999), wk = 0.0024390
k( 357) = ( 0.5433067 0.5433067 0.4133865), wk = 0.0024390
k( 358) = ( 0.5402134 0.5402134 0.4195732), wk = 0.0024390
k( 359) = ( 0.5371201 0.5371201 0.4257599), wk = 0.0024390
k( 360) = ( 0.5340267 0.5340267 0.4319466), wk = 0.0024390
k( 361) = ( 0.5309334 0.5309334 0.4381332), wk = 0.0024390
k( 362) = ( 0.5278400 0.5278400 0.4443199), wk = 0.0024390
k( 363) = ( 0.5247467 0.5247467 0.4505066), wk = 0.0024390
k( 364) = ( 0.5216534 0.5216534 0.4566933), wk = 0.0024390
k( 365) = ( 0.5185600 0.5185600 0.4628799), wk = 0.0024390
k( 366) = ( 0.5154667 0.5154667 0.4690666), wk = 0.0024390
k( 367) = ( 0.5123733 0.5123733 0.4752533), wk = 0.0024390
k( 368) = ( 0.5092800 0.5092800 0.4814400), wk = 0.0024390
k( 369) = ( 0.5061867 0.5061867 0.4876267), wk = 0.0024390
k( 370) = ( 0.5030933 0.5030933 0.4938133), wk = 0.0024390
k( 371) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024390
k( 372) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0024390
k( 373) = ( 0.5068379 0.0097389 0.0097389), wk = 0.0024390
k( 374) = ( 0.5136758 0.0194779 0.0194779), wk = 0.0024390
k( 375) = ( 0.5205137 0.0292168 0.0292168), wk = 0.0024390
k( 376) = ( 0.5273516 0.0389558 0.0389558), wk = 0.0024390
k( 377) = ( 0.5341895 0.0486947 0.0486947), wk = 0.0024390
k( 378) = ( 0.5410274 0.0584337 0.0584336), wk = 0.0024390
k( 379) = ( 0.5478653 0.0681726 0.0681726), wk = 0.0024390
k( 380) = ( 0.5547032 0.0779115 0.0779115), wk = 0.0024390
k( 381) = ( 0.5615412 0.0876505 0.0876505), wk = 0.0024390
k( 382) = ( 0.5683791 0.0973894 0.0973894), wk = 0.0024390
k( 383) = ( 0.5752170 0.1071284 0.1071284), wk = 0.0024390
k( 384) = ( 0.5820549 0.1168673 0.1168673), wk = 0.0024390
k( 385) = ( 0.5888928 0.1266063 0.1266063), wk = 0.0024390
k( 386) = ( 0.5957307 0.1363452 0.1363452), wk = 0.0024390
k( 387) = ( 0.6025686 0.1460841 0.1460841), wk = 0.0024390
k( 388) = ( 0.6094065 0.1558231 0.1558231), wk = 0.0024390
k( 389) = ( 0.6162444 0.1655620 0.1655620), wk = 0.0024390
k( 390) = ( 0.6230823 0.1753010 0.1753010), wk = 0.0024390
k( 391) = ( 0.6299202 0.1850399 0.1850399), wk = 0.0024390
k( 392) = ( 0.6367581 0.1947788 0.1947788), wk = 0.0024390
k( 393) = ( 0.6435960 0.2045178 0.2045178), wk = 0.0024390
k( 394) = ( 0.6504339 0.2142567 0.2142567), wk = 0.0024390
k( 395) = ( 0.6572718 0.2239957 0.2239957), wk = 0.0024390
k( 396) = ( 0.6641097 0.2337346 0.2337346), wk = 0.0024390
k( 397) = ( 0.6709476 0.2434736 0.2434735), wk = 0.0024390
k( 398) = ( 0.6777855 0.2532125 0.2532125), wk = 0.0024390
k( 399) = ( 0.6846235 0.2629514 0.2629514), wk = 0.0024390
k( 400) = ( 0.6914614 0.2726904 0.2726904), wk = 0.0024390
k( 401) = ( 0.6982993 0.2824293 0.2824293), wk = 0.0024390
k( 402) = ( 0.7051372 0.2921683 0.2921683), wk = 0.0024390
k( 403) = ( 0.7119751 0.3019072 0.3019072), wk = 0.0024390
k( 404) = ( 0.7188130 0.3116461 0.3116461), wk = 0.0024390
k( 405) = ( 0.7256509 0.3213851 0.3213851), wk = 0.0024390
k( 406) = ( 0.7324888 0.3311240 0.3311240), wk = 0.0024390
k( 407) = ( 0.7393267 0.3408630 0.3408630), wk = 0.0024390
k( 408) = ( 0.7461646 0.3506019 0.3506019), wk = 0.0024390
k( 409) = ( 0.7530025 0.3603409 0.3603408), wk = 0.0024390
k( 410) = ( 0.7598404 0.3700798 0.3700798), wk = 0.0024390
Dense grid: 7463 G-vectors FFT dimensions: ( 27, 27, 27)
Smooth grid: 5451 G-vectors FFT dimensions: ( 25, 25, 25)
Largest allocated arrays est. size (Mb) dimensions
Kohn-Sham Wavefunctions 0.01 Mb ( 48, 18)
NL pseudopotentials 0.02 Mb ( 24, 68)
Each V/rho on FFT grid 0.01 Mb ( 729)
Each G-vector array 0.00 Mb ( 207)
G-vector shells 0.00 Mb ( 182)
Largest temporary arrays est. size (Mb) dimensions
Auxiliary wavefunctions 0.05 Mb ( 48, 72)
Each subspace H/S matrix 0.00 Mb ( 18, 18)
Each <psi_i|beta_j> matrix 0.04 Mb ( 68, 2, 18)
The potential is recalculated from file :
./P.save/charge-density.dat
Starting wfc are 16 randomized atomic wfcs + 2 random wfc
Band Structure Calculation
Davidson diagonalization with overlap
Computing kpt #: 1
total cpu time spent up to now is 6.0 secs
Computing kpt #: 2
total cpu time spent up to now is 6.2 secs
Computing kpt #: 3
total cpu time spent up to now is 6.3 secs
Computing kpt #: 4
total cpu time spent up to now is 6.3 secs
Computing kpt #: 5
total cpu time spent up to now is 6.4 secs
Computing kpt #: 6
total cpu time spent up to now is 6.5 secs
Computing kpt #: 7
total cpu time spent up to now is 6.6 secs
Computing kpt #: 8
total cpu time spent up to now is 6.7 secs
Computing kpt #: 9
total cpu time spent up to now is 6.8 secs
Computing kpt #: 10
total cpu time spent up to now is 6.8 secs
Computing kpt #: 11
total cpu time spent up to now is 6.9 secs
Computing kpt #: 12
total cpu time spent up to now is 7.0 secs
Computing kpt #: 13
total cpu time spent up to now is 7.1 secs
Computing kpt #: 14
total cpu time spent up to now is 7.1 secs
Computing kpt #: 15
total cpu time spent up to now is 7.2 secs
Computing kpt #: 16
total cpu time spent up to now is 7.3 secs
Computing kpt #: 17
total cpu time spent up to now is 7.3 secs
Computing kpt #: 18
total cpu time spent up to now is 7.4 secs
Computing kpt #: 19
total cpu time spent up to now is 7.5 secs
Computing kpt #: 20
total cpu time spent up to now is 7.5 secs
Computing kpt #: 21
total cpu time spent up to now is 7.6 secs
Computing kpt #: 22
total cpu time spent up to now is 7.7 secs
Computing kpt #: 23
total cpu time spent up to now is 7.7 secs
Computing kpt #: 24
total cpu time spent up to now is 7.8 secs
Computing kpt #: 25
total cpu time spent up to now is 7.8 secs
Computing kpt #: 26
total cpu time spent up to now is 7.9 secs
Computing kpt #: 27
total cpu time spent up to now is 8.0 secs
Computing kpt #: 28
total cpu time spent up to now is 8.0 secs
Computing kpt #: 29
total cpu time spent up to now is 8.1 secs
Computing kpt #: 30
total cpu time spent up to now is 8.2 secs
Computing kpt #: 31
total cpu time spent up to now is 8.2 secs
Computing kpt #: 32
total cpu time spent up to now is 8.3 secs
Computing kpt #: 33
total cpu time spent up to now is 8.4 secs
Computing kpt #: 34
total cpu time spent up to now is 8.5 secs
Computing kpt #: 35
total cpu time spent up to now is 8.5 secs
Computing kpt #: 36
total cpu time spent up to now is 8.6 secs
Computing kpt #: 37
total cpu time spent up to now is 8.7 secs
Computing kpt #: 38
total cpu time spent up to now is 8.8 secs
Computing kpt #: 39
total cpu time spent up to now is 8.9 secs
Computing kpt #: 40
total cpu time spent up to now is 8.9 secs
Computing kpt #: 41
total cpu time spent up to now is 9.0 secs
Computing kpt #: 42
total cpu time spent up to now is 9.1 secs
Computing kpt #: 43
total cpu time spent up to now is 9.2 secs
Computing kpt #: 44
total cpu time spent up to now is 9.3 secs
Computing kpt #: 45
total cpu time spent up to now is 9.4 secs
Computing kpt #: 46
total cpu time spent up to now is 9.5 secs
Computing kpt #: 47
total cpu time spent up to now is 9.6 secs
Computing kpt #: 48
total cpu time spent up to now is 9.6 secs
Computing kpt #: 49
total cpu time spent up to now is 9.7 secs
Computing kpt #: 50
total cpu time spent up to now is 9.8 secs
Computing kpt #: 51
total cpu time spent up to now is 9.9 secs
Computing kpt #: 52
total cpu time spent up to now is 10.0 secs
Computing kpt #: 53
total cpu time spent up to now is 10.1 secs
Computing kpt #: 54
total cpu time spent up to now is 10.3 secs
Computing kpt #: 55
total cpu time spent up to now is 10.4 secs
Computing kpt #: 56
total cpu time spent up to now is 10.4 secs
Computing kpt #: 57
total cpu time spent up to now is 10.5 secs
Computing kpt #: 58
total cpu time spent up to now is 10.6 secs
Computing kpt #: 59
total cpu time spent up to now is 10.7 secs
Computing kpt #: 60
total cpu time spent up to now is 10.8 secs
Computing kpt #: 61
total cpu time spent up to now is 10.9 secs
Computing kpt #: 62
total cpu time spent up to now is 11.0 secs
Computing kpt #: 63
total cpu time spent up to now is 11.1 secs
Computing kpt #: 64
total cpu time spent up to now is 11.2 secs
Computing kpt #: 65
total cpu time spent up to now is 11.3 secs
Computing kpt #: 66
total cpu time spent up to now is 11.4 secs
Computing kpt #: 67
total cpu time spent up to now is 11.4 secs
Computing kpt #: 68
total cpu time spent up to now is 11.5 secs
Computing kpt #: 69
total cpu time spent up to now is 11.6 secs
Computing kpt #: 70
total cpu time spent up to now is 11.7 secs
Computing kpt #: 71
total cpu time spent up to now is 11.8 secs
Computing kpt #: 72
total cpu time spent up to now is 11.9 secs
Computing kpt #: 73
total cpu time spent up to now is 12.0 secs
Computing kpt #: 74
total cpu time spent up to now is 12.1 secs
Computing kpt #: 75
total cpu time spent up to now is 12.1 secs
Computing kpt #: 76
total cpu time spent up to now is 12.2 secs
Computing kpt #: 77
total cpu time spent up to now is 12.3 secs
Computing kpt #: 78
total cpu time spent up to now is 12.4 secs
Computing kpt #: 79
total cpu time spent up to now is 12.5 secs
Computing kpt #: 80
total cpu time spent up to now is 12.5 secs
Computing kpt #: 81
total cpu time spent up to now is 12.6 secs
Computing kpt #: 82
total cpu time spent up to now is 12.7 secs
Computing kpt #: 83
total cpu time spent up to now is 12.8 secs
Computing kpt #: 84
total cpu time spent up to now is 12.8 secs
Computing kpt #: 85
total cpu time spent up to now is 12.9 secs
Computing kpt #: 86
total cpu time spent up to now is 13.0 secs
Computing kpt #: 87
total cpu time spent up to now is 13.1 secs
Computing kpt #: 88
total cpu time spent up to now is 13.1 secs
Computing kpt #: 89
total cpu time spent up to now is 13.2 secs
Computing kpt #: 90
total cpu time spent up to now is 13.3 secs
Computing kpt #: 91
total cpu time spent up to now is 13.4 secs
Computing kpt #: 92
total cpu time spent up to now is 13.4 secs
Computing kpt #: 93
total cpu time spent up to now is 13.5 secs
Computing kpt #: 94
total cpu time spent up to now is 13.6 secs
Computing kpt #: 95
total cpu time spent up to now is 13.6 secs
Computing kpt #: 96
total cpu time spent up to now is 13.7 secs
Computing kpt #: 97
total cpu time spent up to now is 13.8 secs
Computing kpt #: 98
total cpu time spent up to now is 13.9 secs
Computing kpt #: 99
total cpu time spent up to now is 14.0 secs
Computing kpt #: 100
total cpu time spent up to now is 14.0 secs
Computing kpt #: 101
total cpu time spent up to now is 14.1 secs
Computing kpt #: 102
total cpu time spent up to now is 14.2 secs
Computing kpt #: 103
total cpu time spent up to now is 14.2 secs
Computing kpt #: 104
total cpu time spent up to now is 14.3 secs
Computing kpt #: 105
total cpu time spent up to now is 14.4 secs
Computing kpt #: 106
total cpu time spent up to now is 14.4 secs
Computing kpt #: 107
total cpu time spent up to now is 14.5 secs
Computing kpt #: 108
total cpu time spent up to now is 14.6 secs
Computing kpt #: 109
total cpu time spent up to now is 14.6 secs
Computing kpt #: 110
total cpu time spent up to now is 14.7 secs
Computing kpt #: 111
total cpu time spent up to now is 14.8 secs
Computing kpt #: 112
total cpu time spent up to now is 14.9 secs
Computing kpt #: 113
total cpu time spent up to now is 14.9 secs
Computing kpt #: 114
total cpu time spent up to now is 15.0 secs
Computing kpt #: 115
total cpu time spent up to now is 15.1 secs
Computing kpt #: 116
total cpu time spent up to now is 15.1 secs
Computing kpt #: 117
total cpu time spent up to now is 15.2 secs
Computing kpt #: 118
total cpu time spent up to now is 15.3 secs
Computing kpt #: 119
total cpu time spent up to now is 15.3 secs
Computing kpt #: 120
total cpu time spent up to now is 15.4 secs
Computing kpt #: 121
total cpu time spent up to now is 15.5 secs
Computing kpt #: 122
total cpu time spent up to now is 15.6 secs
Computing kpt #: 123
total cpu time spent up to now is 15.6 secs
Computing kpt #: 124
total cpu time spent up to now is 15.7 secs
Computing kpt #: 125
total cpu time spent up to now is 15.8 secs
Computing kpt #: 126
total cpu time spent up to now is 15.9 secs
Computing kpt #: 127
total cpu time spent up to now is 15.9 secs
Computing kpt #: 128
total cpu time spent up to now is 16.0 secs
Computing kpt #: 129
total cpu time spent up to now is 16.1 secs
Computing kpt #: 130
total cpu time spent up to now is 16.1 secs
Computing kpt #: 131
total cpu time spent up to now is 16.2 secs
Computing kpt #: 132
total cpu time spent up to now is 16.3 secs
Computing kpt #: 133
total cpu time spent up to now is 16.4 secs
Computing kpt #: 134
total cpu time spent up to now is 16.4 secs
Computing kpt #: 135
total cpu time spent up to now is 16.5 secs
Computing kpt #: 136
total cpu time spent up to now is 16.5 secs
Computing kpt #: 137
total cpu time spent up to now is 16.6 secs
Computing kpt #: 138
total cpu time spent up to now is 16.7 secs
Computing kpt #: 139
total cpu time spent up to now is 16.7 secs
Computing kpt #: 140
total cpu time spent up to now is 16.8 secs
Computing kpt #: 141
total cpu time spent up to now is 16.9 secs
Computing kpt #: 142
total cpu time spent up to now is 16.9 secs
Computing kpt #: 143
total cpu time spent up to now is 17.0 secs
Computing kpt #: 144
total cpu time spent up to now is 17.1 secs
Computing kpt #: 145
total cpu time spent up to now is 17.1 secs
Computing kpt #: 146
total cpu time spent up to now is 17.2 secs
Computing kpt #: 147
total cpu time spent up to now is 17.3 secs
Computing kpt #: 148
total cpu time spent up to now is 17.3 secs
Computing kpt #: 149
total cpu time spent up to now is 17.4 secs
Computing kpt #: 150
total cpu time spent up to now is 17.5 secs
Computing kpt #: 151
total cpu time spent up to now is 17.6 secs
Computing kpt #: 152
total cpu time spent up to now is 17.6 secs
Computing kpt #: 153
total cpu time spent up to now is 17.7 secs
Computing kpt #: 154
total cpu time spent up to now is 17.8 secs
Computing kpt #: 155
total cpu time spent up to now is 17.9 secs
Computing kpt #: 156
total cpu time spent up to now is 17.9 secs
Computing kpt #: 157
total cpu time spent up to now is 18.0 secs
Computing kpt #: 158
total cpu time spent up to now is 18.0 secs
Computing kpt #: 159
total cpu time spent up to now is 18.1 secs
Computing kpt #: 160
total cpu time spent up to now is 18.2 secs
Computing kpt #: 161
total cpu time spent up to now is 18.2 secs
Computing kpt #: 162
total cpu time spent up to now is 18.3 secs
Computing kpt #: 163
total cpu time spent up to now is 18.4 secs
Computing kpt #: 164
total cpu time spent up to now is 18.4 secs
Computing kpt #: 165
total cpu time spent up to now is 18.5 secs
Computing kpt #: 166
total cpu time spent up to now is 18.6 secs
Computing kpt #: 167
total cpu time spent up to now is 18.6 secs
Computing kpt #: 168
total cpu time spent up to now is 18.7 secs
Computing kpt #: 169
total cpu time spent up to now is 18.8 secs
Computing kpt #: 170
total cpu time spent up to now is 18.9 secs
Computing kpt #: 171
total cpu time spent up to now is 19.0 secs
Computing kpt #: 172
total cpu time spent up to now is 19.1 secs
Computing kpt #: 173
total cpu time spent up to now is 19.2 secs
Computing kpt #: 174
total cpu time spent up to now is 19.3 secs
Computing kpt #: 175
total cpu time spent up to now is 19.4 secs
Computing kpt #: 176
total cpu time spent up to now is 19.5 secs
Computing kpt #: 177
total cpu time spent up to now is 19.6 secs
Computing kpt #: 178
total cpu time spent up to now is 19.7 secs
Computing kpt #: 179
total cpu time spent up to now is 19.9 secs
Computing kpt #: 180
total cpu time spent up to now is 20.0 secs
Computing kpt #: 181
total cpu time spent up to now is 20.1 secs
Computing kpt #: 182
total cpu time spent up to now is 20.2 secs
Computing kpt #: 183
total cpu time spent up to now is 20.8 secs
Computing kpt #: 184
total cpu time spent up to now is 20.9 secs
Computing kpt #: 185
total cpu time spent up to now is 21.0 secs
Computing kpt #: 186
total cpu time spent up to now is 21.1 secs
Computing kpt #: 187
total cpu time spent up to now is 21.2 secs
Computing kpt #: 188
total cpu time spent up to now is 21.2 secs
Computing kpt #: 189
total cpu time spent up to now is 21.3 secs
Computing kpt #: 190
total cpu time spent up to now is 21.4 secs
Computing kpt #: 191
total cpu time spent up to now is 21.5 secs
Computing kpt #: 192
total cpu time spent up to now is 21.6 secs
Computing kpt #: 193
total cpu time spent up to now is 21.7 secs
Computing kpt #: 194
total cpu time spent up to now is 21.8 secs
Computing kpt #: 195
total cpu time spent up to now is 21.8 secs
Computing kpt #: 196
total cpu time spent up to now is 21.9 secs
Computing kpt #: 197
total cpu time spent up to now is 22.0 secs
Computing kpt #: 198
total cpu time spent up to now is 22.1 secs
Computing kpt #: 199
total cpu time spent up to now is 22.2 secs
Computing kpt #: 200
total cpu time spent up to now is 22.3 secs
Computing kpt #: 201
total cpu time spent up to now is 22.4 secs
Computing kpt #: 202
total cpu time spent up to now is 22.5 secs
Computing kpt #: 203
total cpu time spent up to now is 22.6 secs
Computing kpt #: 204
total cpu time spent up to now is 22.6 secs
Computing kpt #: 205
total cpu time spent up to now is 22.7 secs
Computing kpt #: 206
total cpu time spent up to now is 22.8 secs
Computing kpt #: 207
total cpu time spent up to now is 22.9 secs
Computing kpt #: 208
total cpu time spent up to now is 23.0 secs
Computing kpt #: 209
total cpu time spent up to now is 23.1 secs
Computing kpt #: 210
total cpu time spent up to now is 23.2 secs
Computing kpt #: 211
total cpu time spent up to now is 23.3 secs
Computing kpt #: 212
total cpu time spent up to now is 23.4 secs
Computing kpt #: 213
total cpu time spent up to now is 23.5 secs
Computing kpt #: 214
total cpu time spent up to now is 23.6 secs
Computing kpt #: 215
total cpu time spent up to now is 23.6 secs
Computing kpt #: 216
total cpu time spent up to now is 23.7 secs
Computing kpt #: 217
total cpu time spent up to now is 23.8 secs
Computing kpt #: 218
total cpu time spent up to now is 23.9 secs
Computing kpt #: 219
total cpu time spent up to now is 23.9 secs
Computing kpt #: 220
total cpu time spent up to now is 24.0 secs
Computing kpt #: 221
total cpu time spent up to now is 24.1 secs
Computing kpt #: 222
total cpu time spent up to now is 24.2 secs
Computing kpt #: 223
total cpu time spent up to now is 24.2 secs
Computing kpt #: 224
total cpu time spent up to now is 24.3 secs
Computing kpt #: 225
total cpu time spent up to now is 24.4 secs
Computing kpt #: 226
total cpu time spent up to now is 24.4 secs
Computing kpt #: 227
total cpu time spent up to now is 24.5 secs
Computing kpt #: 228
total cpu time spent up to now is 24.6 secs
Computing kpt #: 229
total cpu time spent up to now is 24.7 secs
Computing kpt #: 230
total cpu time spent up to now is 24.7 secs
Computing kpt #: 231
total cpu time spent up to now is 24.8 secs
Computing kpt #: 232
total cpu time spent up to now is 24.9 secs
Computing kpt #: 233
total cpu time spent up to now is 24.9 secs
Computing kpt #: 234
total cpu time spent up to now is 25.0 secs
Computing kpt #: 235
total cpu time spent up to now is 25.1 secs
Computing kpt #: 236
total cpu time spent up to now is 25.1 secs
Computing kpt #: 237
total cpu time spent up to now is 25.2 secs
Computing kpt #: 238
total cpu time spent up to now is 25.2 secs
Computing kpt #: 239
total cpu time spent up to now is 25.3 secs
Computing kpt #: 240
total cpu time spent up to now is 25.4 secs
Computing kpt #: 241
total cpu time spent up to now is 25.4 secs
Computing kpt #: 242
total cpu time spent up to now is 25.5 secs
Computing kpt #: 243
total cpu time spent up to now is 25.5 secs
Computing kpt #: 244
total cpu time spent up to now is 25.6 secs
Computing kpt #: 245
total cpu time spent up to now is 25.6 secs
Computing kpt #: 246
total cpu time spent up to now is 25.7 secs
Computing kpt #: 247
total cpu time spent up to now is 25.7 secs
Computing kpt #: 248
total cpu time spent up to now is 25.8 secs
Computing kpt #: 249
total cpu time spent up to now is 25.9 secs
Computing kpt #: 250
total cpu time spent up to now is 25.9 secs
Computing kpt #: 251
total cpu time spent up to now is 26.0 secs
Computing kpt #: 252
total cpu time spent up to now is 26.0 secs
Computing kpt #: 253
total cpu time spent up to now is 26.1 secs
Computing kpt #: 254
total cpu time spent up to now is 26.1 secs
Computing kpt #: 255
total cpu time spent up to now is 26.2 secs
Computing kpt #: 256
total cpu time spent up to now is 26.2 secs
Computing kpt #: 257
total cpu time spent up to now is 26.3 secs
Computing kpt #: 258
total cpu time spent up to now is 26.4 secs
Computing kpt #: 259
total cpu time spent up to now is 26.4 secs
Computing kpt #: 260
total cpu time spent up to now is 26.5 secs
Computing kpt #: 261
total cpu time spent up to now is 26.5 secs
Computing kpt #: 262
total cpu time spent up to now is 26.6 secs
Computing kpt #: 263
total cpu time spent up to now is 26.7 secs
Computing kpt #: 264
total cpu time spent up to now is 26.7 secs
Computing kpt #: 265
total cpu time spent up to now is 26.8 secs
Computing kpt #: 266
total cpu time spent up to now is 26.9 secs
Computing kpt #: 267
total cpu time spent up to now is 26.9 secs
Computing kpt #: 268
total cpu time spent up to now is 27.0 secs
Computing kpt #: 269
total cpu time spent up to now is 27.1 secs
Computing kpt #: 270
total cpu time spent up to now is 27.1 secs
Computing kpt #: 271
total cpu time spent up to now is 27.2 secs
Computing kpt #: 272
total cpu time spent up to now is 27.3 secs
Computing kpt #: 273
total cpu time spent up to now is 27.4 secs
Computing kpt #: 274
total cpu time spent up to now is 27.4 secs
Computing kpt #: 275
total cpu time spent up to now is 27.5 secs
Computing kpt #: 276
total cpu time spent up to now is 27.5 secs
Computing kpt #: 277
total cpu time spent up to now is 27.6 secs
Computing kpt #: 278
total cpu time spent up to now is 27.7 secs
Computing kpt #: 279
total cpu time spent up to now is 27.7 secs
Computing kpt #: 280
total cpu time spent up to now is 27.8 secs
Computing kpt #: 281
total cpu time spent up to now is 27.9 secs
Computing kpt #: 282
total cpu time spent up to now is 27.9 secs
Computing kpt #: 283
total cpu time spent up to now is 28.0 secs
Computing kpt #: 284
total cpu time spent up to now is 28.1 secs
Computing kpt #: 285
total cpu time spent up to now is 28.1 secs
Computing kpt #: 286
total cpu time spent up to now is 28.2 secs
Computing kpt #: 287
total cpu time spent up to now is 28.3 secs
Computing kpt #: 288
total cpu time spent up to now is 28.3 secs
Computing kpt #: 289
total cpu time spent up to now is 28.4 secs
Computing kpt #: 290
total cpu time spent up to now is 28.4 secs
Computing kpt #: 291
total cpu time spent up to now is 28.5 secs
Computing kpt #: 292
total cpu time spent up to now is 28.6 secs
Computing kpt #: 293
total cpu time spent up to now is 28.6 secs
Computing kpt #: 294
total cpu time spent up to now is 28.7 secs
Computing kpt #: 295
total cpu time spent up to now is 28.8 secs
Computing kpt #: 296
total cpu time spent up to now is 28.8 secs
Computing kpt #: 297
total cpu time spent up to now is 28.9 secs
Computing kpt #: 298
total cpu time spent up to now is 29.0 secs
Computing kpt #: 299
total cpu time spent up to now is 29.0 secs
Computing kpt #: 300
total cpu time spent up to now is 29.1 secs
Computing kpt #: 301
total cpu time spent up to now is 29.2 secs
Computing kpt #: 302
total cpu time spent up to now is 29.2 secs
Computing kpt #: 303
total cpu time spent up to now is 29.3 secs
Computing kpt #: 304
total cpu time spent up to now is 29.4 secs
Computing kpt #: 305
total cpu time spent up to now is 29.5 secs
Computing kpt #: 306
total cpu time spent up to now is 29.6 secs
Computing kpt #: 307
total cpu time spent up to now is 29.6 secs
Computing kpt #: 308
total cpu time spent up to now is 29.7 secs
Computing kpt #: 309
total cpu time spent up to now is 29.8 secs
Computing kpt #: 310
total cpu time spent up to now is 29.9 secs
Computing kpt #: 311
total cpu time spent up to now is 30.0 secs
Computing kpt #: 312
total cpu time spent up to now is 30.0 secs
Computing kpt #: 313
total cpu time spent up to now is 30.1 secs
Computing kpt #: 314
total cpu time spent up to now is 30.2 secs
Computing kpt #: 315
total cpu time spent up to now is 30.3 secs
Computing kpt #: 316
total cpu time spent up to now is 30.3 secs
Computing kpt #: 317
total cpu time spent up to now is 30.4 secs
Computing kpt #: 318
total cpu time spent up to now is 30.5 secs
Computing kpt #: 319
total cpu time spent up to now is 30.5 secs
Computing kpt #: 320
total cpu time spent up to now is 30.6 secs
Computing kpt #: 321
total cpu time spent up to now is 30.7 secs
Computing kpt #: 322
total cpu time spent up to now is 30.8 secs
Computing kpt #: 323
total cpu time spent up to now is 30.8 secs
Computing kpt #: 324
total cpu time spent up to now is 30.9 secs
Computing kpt #: 325
total cpu time spent up to now is 31.0 secs
Computing kpt #: 326
total cpu time spent up to now is 31.0 secs
Computing kpt #: 327
total cpu time spent up to now is 31.1 secs
Computing kpt #: 328
total cpu time spent up to now is 31.2 secs
Computing kpt #: 329
total cpu time spent up to now is 31.2 secs
Computing kpt #: 330
total cpu time spent up to now is 31.3 secs
Computing kpt #: 331
total cpu time spent up to now is 31.4 secs
Computing kpt #: 332
total cpu time spent up to now is 31.4 secs
Computing kpt #: 333
total cpu time spent up to now is 31.5 secs
Computing kpt #: 334
total cpu time spent up to now is 31.6 secs
Computing kpt #: 335
total cpu time spent up to now is 31.6 secs
Computing kpt #: 336
total cpu time spent up to now is 31.7 secs
Computing kpt #: 337
total cpu time spent up to now is 31.8 secs
Computing kpt #: 338
total cpu time spent up to now is 31.8 secs
Computing kpt #: 339
total cpu time spent up to now is 31.9 secs
Computing kpt #: 340
total cpu time spent up to now is 32.0 secs
Computing kpt #: 341
total cpu time spent up to now is 32.0 secs
Computing kpt #: 342
total cpu time spent up to now is 32.1 secs
Computing kpt #: 343
total cpu time spent up to now is 32.2 secs
Computing kpt #: 344
total cpu time spent up to now is 32.2 secs
Computing kpt #: 345
total cpu time spent up to now is 32.3 secs
Computing kpt #: 346
total cpu time spent up to now is 32.4 secs
Computing kpt #: 347
total cpu time spent up to now is 32.4 secs
Computing kpt #: 348
total cpu time spent up to now is 32.5 secs
Computing kpt #: 349
total cpu time spent up to now is 32.6 secs
Computing kpt #: 350
total cpu time spent up to now is 32.6 secs
Computing kpt #: 351
total cpu time spent up to now is 32.7 secs
Computing kpt #: 352
total cpu time spent up to now is 32.8 secs
Computing kpt #: 353
total cpu time spent up to now is 32.8 secs
Computing kpt #: 354
total cpu time spent up to now is 32.9 secs
Computing kpt #: 355
total cpu time spent up to now is 33.0 secs
Computing kpt #: 356
total cpu time spent up to now is 33.0 secs
Computing kpt #: 357
total cpu time spent up to now is 33.1 secs
Computing kpt #: 358
total cpu time spent up to now is 33.1 secs
Computing kpt #: 359
total cpu time spent up to now is 33.2 secs
Computing kpt #: 360
total cpu time spent up to now is 33.3 secs
Computing kpt #: 361
total cpu time spent up to now is 33.3 secs
Computing kpt #: 362
total cpu time spent up to now is 33.4 secs
Computing kpt #: 363
total cpu time spent up to now is 33.5 secs
Computing kpt #: 364
total cpu time spent up to now is 33.5 secs
Computing kpt #: 365
total cpu time spent up to now is 33.6 secs
Computing kpt #: 366
total cpu time spent up to now is 33.7 secs
Computing kpt #: 367
total cpu time spent up to now is 33.8 secs
Computing kpt #: 368
total cpu time spent up to now is 33.8 secs
Computing kpt #: 369
total cpu time spent up to now is 33.9 secs
Computing kpt #: 370
total cpu time spent up to now is 34.0 secs
Computing kpt #: 371
total cpu time spent up to now is 34.1 secs
Computing kpt #: 372
total cpu time spent up to now is 34.1 secs
Computing kpt #: 373
total cpu time spent up to now is 34.2 secs
Computing kpt #: 374
total cpu time spent up to now is 34.3 secs
Computing kpt #: 375
total cpu time spent up to now is 34.4 secs
Computing kpt #: 376
total cpu time spent up to now is 34.5 secs
Computing kpt #: 377
total cpu time spent up to now is 34.5 secs
Computing kpt #: 378
total cpu time spent up to now is 34.6 secs
Computing kpt #: 379
total cpu time spent up to now is 34.7 secs
Computing kpt #: 380
total cpu time spent up to now is 34.7 secs
Computing kpt #: 381
total cpu time spent up to now is 34.8 secs
Computing kpt #: 382
total cpu time spent up to now is 34.9 secs
Computing kpt #: 383
total cpu time spent up to now is 34.9 secs
Computing kpt #: 384
total cpu time spent up to now is 35.0 secs
Computing kpt #: 385
total cpu time spent up to now is 35.0 secs
Computing kpt #: 386
total cpu time spent up to now is 35.1 secs
Computing kpt #: 387
total cpu time spent up to now is 35.2 secs
Computing kpt #: 388
total cpu time spent up to now is 35.2 secs
Computing kpt #: 389
total cpu time spent up to now is 35.4 secs
Computing kpt #: 390
total cpu time spent up to now is 35.4 secs
Computing kpt #: 391
total cpu time spent up to now is 35.5 secs
Computing kpt #: 392
total cpu time spent up to now is 35.6 secs
Computing kpt #: 393
total cpu time spent up to now is 35.6 secs
Computing kpt #: 394
total cpu time spent up to now is 35.7 secs
Computing kpt #: 395
total cpu time spent up to now is 35.7 secs
Computing kpt #: 396
total cpu time spent up to now is 35.8 secs
Computing kpt #: 397
total cpu time spent up to now is 35.9 secs
Computing kpt #: 398
total cpu time spent up to now is 35.9 secs
Computing kpt #: 399
total cpu time spent up to now is 36.0 secs
Computing kpt #: 400
total cpu time spent up to now is 36.0 secs
Computing kpt #: 401
total cpu time spent up to now is 36.1 secs
Computing kpt #: 402
total cpu time spent up to now is 36.2 secs
Computing kpt #: 403
total cpu time spent up to now is 36.2 secs
Computing kpt #: 404
total cpu time spent up to now is 36.3 secs
Computing kpt #: 405
total cpu time spent up to now is 36.4 secs
Computing kpt #: 406
total cpu time spent up to now is 36.4 secs
Computing kpt #: 407
total cpu time spent up to now is 36.5 secs
Computing kpt #: 408
total cpu time spent up to now is 36.6 secs
Computing kpt #: 409
total cpu time spent up to now is 36.7 secs
Computing kpt #: 410
total cpu time spent up to now is 36.7 secs
ethr = 1.00E-07, avg # of iterations = 17.3
total cpu time spent up to now is 36.7 secs
End of band structure calculation
k = 0.0000 0.0000 0.0000 ( 683 PWs) bands (ev):
-6.1352 -6.1352 7.6938 7.6938 7.7458 7.7458 9.1971 9.1971
9.6695 9.6695 12.2315 12.2315 13.5939 13.5939 13.6227 13.6227
18.1112 18.1112
k = 0.0088-0.0056-0.0039 ( 680 PWs) bands (ev):
-6.1339 -6.1339 7.6853 7.6853 7.7387 7.7387 9.1941 9.1941
9.6782 9.6782 12.2384 12.2384 13.5957 13.5957 13.6245 13.6245
18.0954 18.0954
k = 0.0175-0.0113-0.0078 ( 680 PWs) bands (ev):
-6.1299 -6.1299 7.6531 7.6531 7.7250 7.7250 9.1855 9.1855
9.7031 9.7031 12.2587 12.2587 13.6003 13.6003 13.6306 13.6306
18.0474 18.0475
k = 0.0263-0.0169-0.0117 ( 678 PWs) bands (ev):
-6.1233 -6.1233 7.5911 7.5911 7.7130 7.7130 9.1721 9.1721
9.7416 9.7416 12.2917 12.2917 13.6068 13.6068 13.6423 13.6423
17.9714 17.9714
k = 0.0351-0.0226-0.0156 ( 677 PWs) bands (ev):
-6.1141 -6.1141 7.5039 7.5039 7.7013 7.7013 9.1547 9.1547
9.7905 9.7905 12.3363 12.3363 13.6147 13.6147 13.6606 13.6606
17.8759 17.8759
k = 0.0439-0.0282-0.0196 ( 677 PWs) bands (ev):
-6.1022 -6.1022 7.3964 7.3964 7.6882 7.6882 9.1342 9.1342
9.8466 9.8466 12.3907 12.3907 13.6247 13.6247 13.6853 13.6853
17.7683 17.7683
k = 0.0526-0.0339-0.0235 ( 675 PWs) bands (ev):
-6.0877 -6.0877 7.2725 7.2725 7.6732 7.6732 9.1110 9.1110
9.9072 9.9072 12.4528 12.4528 13.6386 13.6386 13.7159 13.7159
17.6538 17.6538
k = 0.0614-0.0395-0.0274 ( 675 PWs) bands (ev):
-6.0706 -6.0706 7.1351 7.1351 7.6561 7.6561 9.0856 9.0856
9.9702 9.9702 12.5198 12.5198 13.6581 13.6581 13.7519 13.7519
17.5359 17.5359
k = 0.0702-0.0451-0.0313 ( 676 PWs) bands (ev):
-6.0508 -6.0508 6.9868 6.9868 7.6369 7.6369 9.0583 9.0583
10.0341 10.0341 12.5887 12.5887 13.6855 13.6855 13.7927 13.7927
17.4168 17.4168
k = 0.0789-0.0508-0.0352 ( 674 PWs) bands (ev):
-6.0284 -6.0284 6.8294 6.8294 7.6157 7.6157 9.0296 9.0296
10.0977 10.0977 12.6561 12.6561 13.7233 13.7233 13.8379 13.8379
17.2974 17.2974
k = 0.0877-0.0564-0.0391 ( 674 PWs) bands (ev):
-6.0034 -6.0034 6.6647 6.6647 7.5927 7.5927 8.9996 8.9996
10.1603 10.1603 12.7184 12.7184 13.7738 13.7738 13.8868 13.8868
17.1677 17.1677
k = 0.0965-0.0621-0.0430 ( 678 PWs) bands (ev):
-5.9758 -5.9758 6.4938 6.4938 7.5679 7.5679 8.9688 8.9688
10.2213 10.2213 12.7726 12.7726 13.8392 13.8392 13.9390 13.9390
17.0217 17.0217
k = 0.1053-0.0677-0.0469 ( 678 PWs) bands (ev):
-5.9455 -5.9455 6.3180 6.3180 7.5416 7.5416 8.9373 8.9373
10.2803 10.2803 12.8167 12.8167 13.9203 13.9203 13.9937 13.9937
16.8723 16.8723
k = 0.1140-0.0733-0.0508 ( 682 PWs) bands (ev):
-5.9127 -5.9127 6.1379 6.1379 7.5138 7.5138 8.9055 8.9055
10.3372 10.3372 12.8500 12.8500 14.0159 14.0159 14.0512 14.0512
16.7219 16.7219
k = 0.1228-0.0790-0.0547 ( 682 PWs) bands (ev):
-5.8772 -5.8772 5.9544 5.9544 7.4848 7.4848 8.8736 8.8736
10.3918 10.3918 12.8729 12.8729 14.1008 14.1008 14.1344 14.1344
16.5718 16.5718
k = 0.1316-0.0846-0.0587 ( 684 PWs) bands (ev):
-5.8391 -5.8391 5.7682 5.7682 7.4546 7.4546 8.8417 8.8417
10.4439 10.4439 12.8866 12.8866 14.1583 14.1583 14.2565 14.2565
16.4227 16.4227
k = 0.1404-0.0903-0.0626 ( 686 PWs) bands (ev):
-5.7985 -5.7985 5.5796 5.5796 7.4236 7.4236 8.8101 8.8101
10.4935 10.4935 12.8925 12.8925 14.2117 14.2117 14.3906 14.3906
16.2757 16.2757
k = 0.1491-0.0959-0.0665 ( 686 PWs) bands (ev):
-5.7552 -5.7552 5.3893 5.3893 7.3917 7.3917 8.7788 8.7788
10.5406 10.5406 12.8920 12.8920 14.2609 14.2609 14.5323 14.5323
16.1321 16.1321
k = 0.1579-0.1016-0.0704 ( 685 PWs) bands (ev):
-5.7094 -5.7094 5.1975 5.1975 7.3592 7.3592 8.7482 8.7482
10.5851 10.5851 12.8864 12.8864 14.3044 14.3044 14.6783 14.6783
15.9936 15.9936
k = 0.1667-0.1072-0.0743 ( 683 PWs) bands (ev):
-5.6610 -5.6610 5.0046 5.0046 7.3262 7.3262 8.7181 8.7181
10.6271 10.6271 12.8765 12.8765 14.3402 14.3402 14.8240 14.8240
15.8637 15.8637
k = 0.1754-0.1128-0.0782 ( 683 PWs) bands (ev):
-5.6100 -5.6100 4.8109 4.8109 7.2929 7.2929 8.6889 8.6889
10.6666 10.6666 12.8632 12.8632 14.3670 14.3670 14.9609 14.9609
15.7502 15.7502
k = 0.1842-0.1185-0.0821 ( 681 PWs) bands (ev):
-5.5565 -5.5565 4.6167 4.6167 7.2593 7.2593 8.6605 8.6605
10.7036 10.7036 12.8469 12.8469 14.3832 14.3832 15.0694 15.0694
15.6717 15.6717
k = 0.1930-0.1241-0.0860 ( 685 PWs) bands (ev):
-5.5005 -5.5005 4.4222 4.4222 7.2256 7.2256 8.6330 8.6330
10.7383 10.7383 12.8283 12.8283 14.3882 14.3882 15.1125 15.1125
15.6648 15.6648
k = 0.2018-0.1298-0.0899 ( 681 PWs) bands (ev):
-5.4419 -5.4419 4.2276 4.2276 7.1919 7.1919 8.6065 8.6065
10.7706 10.7706 12.8075 12.8075 14.3818 14.3818 15.0736 15.0736
15.7456 15.7456
k = 0.2105-0.1354-0.0938 ( 681 PWs) bands (ev):
-5.3808 -5.3808 4.0332 4.0332 7.1584 7.1584 8.5810 8.5810
10.8008 10.8008 12.7847 12.7847 14.3645 14.3645 14.9852 14.9852
15.8811 15.8811
k = 0.2193-0.1411-0.0978 ( 681 PWs) bands (ev):
-5.3172 -5.3172 3.8391 3.8391 7.1250 7.1250 8.5567 8.5567
10.8288 10.8288 12.7602 12.7602 14.3376 14.3376 14.8768 14.8768
16.0418 16.0418
k = 0.2281-0.1467-0.1017 ( 683 PWs) bands (ev):
-5.2511 -5.2511 3.6454 3.6454 7.0920 7.0920 8.5334 8.5334
10.8550 10.8550 12.7341 12.7341 14.3022 14.3022 14.7610 14.7610
16.2146 16.2146
k = 0.2368-0.1523-0.1056 ( 683 PWs) bands (ev):
-5.1825 -5.1825 3.4524 3.4524 7.0594 7.0594 8.5112 8.5112
10.8793 10.8793 12.7064 12.7064 14.2600 14.2600 14.6431 14.6431
16.3942 16.3942
k = 0.2456-0.1580-0.1095 ( 685 PWs) bands (ev):
-5.1114 -5.1114 3.2601 3.2601 7.0273 7.0273 8.4902 8.4902
10.9020 10.9020 12.6773 12.6773 14.2125 14.2125 14.5253 14.5253
16.5780 16.5780
k = 0.2544-0.1636-0.1134 ( 682 PWs) bands (ev):
-5.0380 -5.0380 3.0688 3.0688 6.9957 6.9957 8.4703 8.4703
10.9232 10.9232 12.6469 12.6469 14.1608 14.1608 14.4090 14.4090
16.7645 16.7645
k = 0.2632-0.1693-0.1173 ( 682 PWs) bands (ev):
-4.9621 -4.9621 2.8784 2.8784 6.9648 6.9648 8.4515 8.4515
10.9430 10.9430 12.6151 12.6151 14.1063 14.1063 14.2948 14.2948
16.9529 16.9529
k = 0.2719-0.1749-0.1212 ( 680 PWs) bands (ev):
-4.8838 -4.8838 2.6892 2.6892 6.9346 6.9346 8.4339 8.4339
10.9618 10.9618 12.5820 12.5820 14.0499 14.0499 14.1831 14.1831
17.1426 17.1426
k = 0.2807-0.1806-0.1251 ( 678 PWs) bands (ev):
-4.8032 -4.8032 2.5013 2.5013 6.9051 6.9051 8.4175 8.4175
10.9796 10.9796 12.5478 12.5478 13.9922 13.9922 14.0745 14.0745
17.3330 17.3330
k = 0.2895-0.1862-0.1290 ( 678 PWs) bands (ev):
-4.7203 -4.7203 2.3147 2.3147 6.8765 6.8765 8.4021 8.4021
10.9965 10.9965 12.5126 12.5126 13.9334 13.9334 13.9697 13.9697
17.5237 17.5237
k = 0.2982-0.1918-0.1330 ( 678 PWs) bands (ev):
-4.6351 -4.6351 2.1296 2.1296 6.8487 6.8487 8.3879 8.3879
11.0128 11.0128 12.4764 12.4764 13.8615 13.8615 13.8816 13.8816
17.7142 17.7142
k = 0.3070-0.1975-0.1369 ( 682 PWs) bands (ev):
-4.5476 -4.5476 1.9461 1.9461 6.8219 6.8219 8.3747 8.3747
11.0286 11.0286 12.4394 12.4394 13.7650 13.7650 13.8220 13.8220
17.9037 17.9037
k = 0.3158-0.2031-0.1408 ( 684 PWs) bands (ev):
-4.4579 -4.4579 1.7643 1.7643 6.7960 6.7960 8.3626 8.3626
11.0441 11.0441 12.4016 12.4016 13.6697 13.6697 13.7658 13.7658
18.0897 18.0897
k = 0.3246-0.2088-0.1447 ( 684 PWs) bands (ev):
-4.3661 -4.3661 1.5844 1.5844 6.7711 6.7711 8.3514 8.3514
11.0594 11.0594 12.3632 12.3632 13.5778 13.5778 13.7113 13.7113
18.2699 18.2699
k = 0.3333-0.2144-0.1486 ( 680 PWs) bands (ev):
-4.2723 -4.2723 1.4063 1.4063 6.7472 6.7472 8.3413 8.3413
11.0746 11.0746 12.3243 12.3243 13.4895 13.4895 13.6585 13.6585
18.4518 18.4518
k = 0.3421-0.2200-0.1525 ( 680 PWs) bands (ev):
-4.1764 -4.1764 1.2304 1.2304 6.7244 6.7244 8.3320 8.3320
11.0898 11.0898 12.2851 12.2851 13.4050 13.4050 13.6075 13.6075
18.6375 18.6375
k = 0.3509-0.2257-0.1564 ( 680 PWs) bands (ev):
-4.0787 -4.0787 1.0566 1.0566 6.7027 6.7027 8.3237 8.3237
11.1051 11.1051 12.2457 12.2457 13.3244 13.3244 13.5587 13.5587
18.8248 18.8248
k = 0.3596-0.2313-0.1603 ( 682 PWs) bands (ev):
-3.9792 -3.9792 0.8852 0.8852 6.6821 6.6821 8.3162 8.3162
11.1207 11.1207 12.2063 12.2063 13.2478 13.2478 13.5121 13.5121
19.0046 19.0046
k = 0.3684-0.2370-0.1642 ( 680 PWs) bands (ev):
-3.8780 -3.8780 0.7163 0.7163 6.6627 6.6627 8.3095 8.3095
11.1365 11.1365 12.1670 12.1670 13.1752 13.1752 13.4678 13.4678
19.1772 19.1772
k = 0.3772-0.2426-0.1681 ( 682 PWs) bands (ev):
-3.7754 -3.7754 0.5502 0.5502 6.6444 6.6444 8.3035 8.3035
11.1527 11.1527 12.1279 12.1279 13.1069 13.1069 13.4260 13.4260
19.3449 19.3449
k = 0.3860-0.2483-0.1721 ( 686 PWs) bands (ev):
-3.6715 -3.6715 0.3871 0.3871 6.6273 6.6273 8.2982 8.2982
11.1692 11.1692 12.0893 12.0893 13.0427 13.0427 13.3868 13.3868
19.5079 19.5079
k = 0.3947-0.2539-0.1760 ( 688 PWs) bands (ev):
-3.5666 -3.5666 0.2273 0.2273 6.6114 6.6114 8.2936 8.2936
11.1861 11.1861 12.0512 12.0512 12.9829 12.9829 13.3502 13.3502
19.6659 19.6659
k = 0.4035-0.2595-0.1799 ( 686 PWs) bands (ev):
-3.4611 -3.4611 0.0711 0.0711 6.5967 6.5967 8.2896 8.2896
11.2034 11.2034 12.0140 12.0140 12.9275 12.9275 13.3163 13.3163
19.8190 19.8190
k = 0.4123-0.2652-0.1838 ( 684 PWs) bands (ev):
-3.3554 -3.3554 -0.0810 -0.0810 6.5833 6.5833 8.2861 8.2861
11.2209 11.2209 11.9777 11.9777 12.8766 12.8766 13.2852 13.2852
19.9666 19.9666
k = 0.4211-0.2708-0.1877 ( 685 PWs) bands (ev):
-3.2500 -3.2500 -0.2283 -0.2283 6.5711 6.5711 8.2832 8.2832
11.2386 11.2386 11.9427 11.9427 12.8303 12.8303 13.2569 13.2569
20.1083 20.1083
k = 0.4298-0.2765-0.1916 ( 688 PWs) bands (ev):
-3.1458 -3.1458 -0.3701 -0.3701 6.5601 6.5601 8.2807 8.2807
11.2564 11.2564 11.9091 11.9091 12.7886 12.7886 13.2315 13.2315
20.2432 20.2432
k = 0.4386-0.2821-0.1955 ( 690 PWs) bands (ev):
-3.0439 -3.0439 -0.5053 -0.5053 6.5505 6.5505 8.2785 8.2785
11.2740 11.2740 11.8774 11.8774 12.7517 12.7517 13.2089 13.2089
20.3700 20.3700
k = 0.4474-0.2878-0.1994 ( 692 PWs) bands (ev):
-2.9456 -2.9456 -0.6324 -0.6324 6.5421 6.5421 8.2768 8.2768
11.2911 11.2911 11.8478 11.8478 12.7195 12.7195 13.1894 13.1894
20.4872 20.4872
k = 0.4561-0.2934-0.2033 ( 690 PWs) bands (ev):
-2.8528 -2.8528 -0.7496 -0.7496 6.5350 6.5350 8.2754 8.2754
11.3072 11.3072 11.8210 11.8210 12.6922 12.6922 13.1728 13.1728
20.5928 20.5928
k = 0.4649-0.2990-0.2073 ( 690 PWs) bands (ev):
-2.7684 -2.7684 -0.8540 -0.8540 6.5291 6.5291 8.2743 8.2743
11.3220 11.3220 11.7974 11.7974 12.6698 12.6698 13.1592 13.1592
20.6843 20.6843
k = 0.4737-0.3047-0.2112 ( 690 PWs) bands (ev):
-2.6956 -2.6956 -0.9423 -0.9423 6.5246 6.5246 8.2735 8.2735
11.3347 11.3347 11.7778 11.7778 12.6523 12.6523 13.1485 13.1485
20.7593 20.7593
k = 0.4825-0.3103-0.2151 ( 690 PWs) bands (ev):
-2.6387 -2.6387 -1.0103 -1.0103 6.5214 6.5214 8.2729 8.2729
11.3445 11.3445 11.7630 11.7630 12.6398 12.6398 13.1410 13.1410
20.8152 20.8152
k = 0.4912-0.3160-0.2190 ( 690 PWs) bands (ev):
-2.6022 -2.6022 -1.0535 -1.0535 6.5194 6.5194 8.2726 8.2726
11.3508 11.3508 11.7538 11.7538 12.6322 12.6322 13.1364 13.1364
20.8497 20.8497
k = 0.5000-0.3216-0.2229 ( 688 PWs) bands (ev):
-2.5895 -2.5895 -1.0684 -1.0684 6.5188 6.5188 8.2724 8.2724
11.3530 11.3530 11.7506 11.7506 12.6297 12.6297 13.1349 13.1349
20.8614 20.8614
k = 0.5000-0.3216-0.2229 ( 688 PWs) bands (ev):
-2.5895 -2.5895 -1.0684 -1.0684 6.5188 6.5188 8.2724 8.2724
11.3530 11.3530 11.7506 11.7506 12.6297 12.6297 13.1349 13.1349
20.8614 20.8614
k = 0.5000-0.3153-0.2320 ( 688 PWs) bands (ev):
-2.5882 -2.5882 -1.0677 -1.0677 6.5073 6.5073 8.2758 8.2758
11.3649 11.3649 11.7201 11.7201 12.6308 12.6308 13.1657 13.1657
20.8557 20.8557
k = 0.5000-0.3089-0.2412 ( 690 PWs) bands (ev):
-2.5841 -2.5841 -1.0656 -1.0656 6.4733 6.4733 8.2857 8.2857
11.4006 11.4006 11.6355 11.6355 12.6342 12.6342 13.2509 13.2509
20.8383 20.8383
k = 0.5000-0.3026-0.2504 ( 692 PWs) bands (ev):
-2.5774 -2.5774 -1.0622 -1.0622 6.4185 6.4185 8.3012 8.3012
11.4589 11.4589 11.5120 11.5120 12.6399 12.6399 13.3757 13.3757
20.8086 20.8086
k = 0.5000-0.2962-0.2595 ( 690 PWs) bands (ev):
-2.5679 -2.5679 -1.0574 -1.0574 6.3449 6.3449 8.3213 8.3213
11.3618 11.3618 11.5404 11.5404 12.6480 12.6480 13.5261 13.5261
20.7658 20.7658
k = 0.5000-0.2899-0.2687 ( 690 PWs) bands (ev):
-2.5557 -2.5557 -1.0512 -1.0512 6.2550 6.2550 8.3451 8.3451
11.1964 11.1964 11.6414 11.6414 12.6586 12.6586 13.6927 13.6927
20.7089 20.7089
k = 0.5000-0.2835-0.2778 ( 690 PWs) bands (ev):
-2.5408 -2.5408 -1.0438 -1.0438 6.1515 6.1515 8.3714 8.3714
11.0209 11.0209 11.7614 11.7614 12.6714 12.6714 13.8693 13.8693
20.6373 20.6373
k = 0.5000-0.2772-0.2870 ( 690 PWs) bands (ev):
-2.5232 -2.5232 -1.0351 -1.0351 6.0367 6.0367 8.3997 8.3997
10.8390 10.8390 11.8986 11.8986 12.6867 12.6867 14.0523 14.0523
20.5509 20.5509
k = 0.5000-0.2708-0.2961 ( 692 PWs) bands (ev):
-2.5029 -2.5029 -1.0253 -1.0253 5.9129 5.9129 8.4294 8.4294
10.6531 10.6531 12.0514 12.0514 12.7043 12.7043 14.2391 14.2391
20.4504 20.4504
k = 0.5000-0.2645-0.3053 ( 696 PWs) bands (ev):
-2.4800 -2.4800 -1.0143 -1.0143 5.7819 5.7819 8.4602 8.4602
10.4647 10.4647 12.2180 12.2180 12.7242 12.7242 14.4282 14.4282
20.3368 20.3368
k = 0.5000-0.2582-0.3145 ( 698 PWs) bands (ev):
-2.4543 -2.4543 -1.0023 -1.0023 5.6455 5.6455 8.4920 8.4920
10.2748 10.2748 12.3971 12.3971 12.7464 12.7464 14.6183 14.6183
20.2120 20.2120
k = 0.5000-0.2518-0.3236 ( 694 PWs) bands (ev):
-2.4259 -2.4259 -0.9894 -0.9894 5.5051 5.5051 8.5248 8.5248
10.0842 10.0842 12.5872 12.5872 12.7709 12.7709 14.8084 14.8084
20.0777 20.0777
k = 0.5000-0.2455-0.3328 ( 698 PWs) bands (ev):
-2.3948 -2.3948 -0.9757 -0.9757 5.3618 5.3618 8.5585 8.5585
9.8934 9.8934 12.7854 12.7854 12.7995 12.7995 14.9979 14.9979
19.9358 19.9358
k = 0.5000-0.2391-0.3419 ( 696 PWs) bands (ev):
-2.3611 -2.3611 -0.9613 -0.9613 5.2169 5.2169 8.5931 8.5931
9.7028 9.7028 12.8262 12.8262 12.9966 12.9966 15.1860 15.1860
19.7882 19.7882
k = 0.5000-0.2328-0.3511 ( 694 PWs) bands (ev):
-2.3247 -2.3247 -0.9463 -0.9463 5.0712 5.0712 8.6288 8.6288
9.5127 9.5127 12.8573 12.8573 13.2134 13.2134 15.3721 15.3721
19.6361 19.6361
k = 0.5000-0.2264-0.3602 ( 694 PWs) bands (ev):
-2.2856 -2.2856 -0.9310 -0.9310 4.9255 4.9255 8.6657 8.6657
9.3235 9.3235 12.8906 12.8906 13.4372 13.4372 15.5554 15.5554
19.4811 19.4811
k = 0.5000-0.2201-0.3694 ( 694 PWs) bands (ev):
-2.2438 -2.2438 -0.9154 -0.9154 4.7807 4.7807 8.7037 8.7037
9.1352 9.1352 12.9259 12.9259 13.6675 13.6675 15.7352 15.7352
19.3240 19.3240
k = 0.5000-0.2137-0.3785 ( 696 PWs) bands (ev):
-2.1993 -2.1993 -0.8999 -0.8999 4.6374 4.6374 8.7427 8.7427
8.9483 8.9483 12.9632 12.9632 13.9034 13.9034 15.9106 15.9106
19.1659 19.1659
k = 0.5000-0.2074-0.3877 ( 698 PWs) bands (ev):
-2.1522 -2.1522 -0.8845 -0.8845 4.4962 4.4962 8.7578 8.7578
8.7880 8.7880 13.0026 13.0026 14.1444 14.1444 16.0805 16.0805
19.0075 19.0075
k = 0.5000-0.2010-0.3969 ( 700 PWs) bands (ev):
-2.1025 -2.1025 -0.8697 -0.8697 4.3578 4.3578 8.5771 8.5771
8.8263 8.8263 13.0439 13.0439 14.3900 14.3900 16.2432 16.2432
18.8493 18.8493
k = 0.5000-0.1947-0.4060 ( 698 PWs) bands (ev):
-2.0501 -2.0501 -0.8555 -0.8555 4.2227 4.2227 8.3944 8.3944
8.8694 8.8694 13.0870 13.0870 14.6396 14.6396 16.3969 16.3969
18.6921 18.6921
k = 0.5000-0.1884-0.4152 ( 696 PWs) bands (ev):
-1.9950 -1.9950 -0.8424 -0.8424 4.0915 4.0915 8.2132 8.2132
8.9141 8.9141 13.1319 13.1319 14.8927 14.8927 16.5388 16.5388
18.5364 18.5364
k = 0.5000-0.1820-0.4243 ( 696 PWs) bands (ev):
-1.9374 -1.9374 -0.8307 -0.8307 3.9647 3.9647 8.0337 8.0337
8.9601 8.9601 13.1786 13.1786 15.1487 15.1487 16.6648 16.6648
18.3825 18.3825
k = 0.5000-0.1757-0.4335 ( 694 PWs) bands (ev):
-1.8771 -1.8771 -0.8207 -0.8207 3.8430 3.8430 7.8560 7.8560
9.0076 9.0076 13.2267 13.2267 15.4070 15.4070 16.7701 16.7701
18.2313 18.2313
k = 0.5000-0.1693-0.4426 ( 694 PWs) bands (ev):
-1.8142 -1.8142 -0.8128 -0.8128 3.7267 3.7267 7.6801 7.6801
9.0564 9.0564 13.2764 13.2764 15.6668 15.6668 16.8486 16.8486
18.0834 18.0834
k = 0.5000-0.1630-0.4518 ( 694 PWs) bands (ev):
-1.7487 -1.7487 -0.8074 -0.8074 3.6165 3.6165 7.5062 7.5062
9.1065 9.1065 13.3273 13.3273 15.9269 15.9269 16.8948 16.8948
17.9400 17.9400
k = 0.5000-0.1566-0.4609 ( 696 PWs) bands (ev):
-1.6806 -1.6806 -0.8049 -0.8049 3.5129 3.5129 7.3342 7.3342
9.1579 9.1579 13.3794 13.3794 16.1851 16.1851 16.9058 16.9058
17.8030 17.8030
k = 0.5000-0.1503-0.4701 ( 696 PWs) bands (ev):
-1.6099 -1.6099 -0.8057 -0.8057 3.4165 3.4165 7.1644 7.1644
9.2106 9.2106 13.4325 13.4325 16.4373 16.4373 16.8833 16.8833
17.6765 17.6765
k = 0.5000-0.1439-0.4793 ( 696 PWs) bands (ev):
-1.5367 -1.5367 -0.8103 -0.8103 3.3277 3.3277 6.9966 6.9966
9.2645 9.2645 13.4862 13.4862 16.6725 16.6725 16.8332 16.8332
17.5711 17.5711
k = 0.5000-0.1376-0.4884 ( 696 PWs) bands (ev):
-1.4609 -1.4609 -0.8191 -0.8191 3.2470 3.2470 6.8310 6.8310
9.3195 9.3195 13.5403 13.5403 16.7605 16.7605 16.8630 16.8630
17.5165 17.5165
k = 0.5000-0.1312-0.4976 ( 698 PWs) bands (ev):
-1.3826 -1.3826 -0.8323 -0.8323 3.1749 3.1749 6.6676 6.6676
9.3756 9.3756 13.5945 13.5945 16.6758 16.6758 16.9438 16.9438
17.5735 17.5735
k = 0.5000-0.1249-0.5067 ( 698 PWs) bands (ev):
-1.3017 -1.3017 -0.8504 -0.8504 3.1118 3.1118 6.5065 6.5065
9.4327 9.4327 13.6484 13.6484 16.5821 16.5821 16.9096 16.9096
17.7497 17.7497
k = 0.5000-0.1186-0.5159 ( 696 PWs) bands (ev):
-1.2184 -1.2184 -0.8736 -0.8736 3.0579 3.0579 6.3477 6.3477
9.4906 9.4906 13.7014 13.7014 16.4836 16.4836 16.8219 16.8219
17.9829 17.9829
k = 0.5000-0.1122-0.5250 ( 694 PWs) bands (ev):
-1.1327 -1.1327 -0.9020 -0.9020 3.0136 3.0136 6.1913 6.1913
9.5493 9.5493 13.7530 13.7530 16.3837 16.3837 16.7163 16.7163
18.2370 18.2370
k = 0.5000-0.1059-0.5342 ( 692 PWs) bands (ev):
-1.0445 -1.0445 -0.9358 -0.9358 2.9789 2.9789 6.0373 6.0373
9.6088 9.6088 13.8025 13.8025 16.2848 16.2848 16.6052 16.6052
18.4993 18.4993
k = 0.5000-0.0995-0.5434 ( 692 PWs) bands (ev):
-0.9758 -0.9758 -0.9531 -0.9531 2.9539 2.9539 5.8857 5.8857
9.6687 9.6687 13.8489 13.8489 16.1889 16.1889 16.4934 16.4934
18.7643 18.7643
k = 0.5000-0.0932-0.5525 ( 690 PWs) bands (ev):
-1.0198 -1.0198 -0.8606 -0.8606 2.9385 2.9385 5.7367 5.7367
9.7291 9.7291 13.8913 13.8913 16.0979 16.0979 16.3830 16.3830
19.0290 19.0290
k = 0.5000-0.0868-0.5617 ( 690 PWs) bands (ev):
-1.0695 -1.0695 -0.7653 -0.7653 2.9327 2.9327 5.5902 5.5902
9.7897 9.7897 13.9284 13.9284 16.0135 16.0135 16.2752 16.2752
19.2915 19.2915
k = 0.5000-0.0805-0.5708 ( 696 PWs) bands (ev):
-1.1241 -1.1241 -0.6676 -0.6676 2.9360 2.9360 5.4464 5.4464
9.8505 9.8505 13.9589 13.9589 15.9376 15.9376 16.1708 16.1708
19.5498 19.5498
k = 0.5000-0.0741-0.5800 ( 696 PWs) bands (ev):
-1.1833 -1.1833 -0.5676 -0.5676 2.9484 2.9484 5.3052 5.3052
9.9112 9.9112 13.9813 13.9813 15.8718 15.8718 16.0702 16.0702
19.8017 19.8017
k = 0.5000-0.0678-0.5891 ( 698 PWs) bands (ev):
-1.2467 -1.2467 -0.4655 -0.4655 2.9693 2.9693 5.1667 5.1667
9.9716 9.9716 13.9943 13.9943 15.8176 15.8176 15.9740 15.9740
20.0448 20.0448
k = 0.5000-0.0614-0.5983 ( 696 PWs) bands (ev):
-1.3140 -1.3140 -0.3612 -0.3612 2.9985 2.9985 5.0311 5.0311
10.0316 10.0316 13.9965 13.9965 15.7763 15.7763 15.8825 15.8825
20.2699 20.2699
k = 0.5000-0.0551-0.6074 ( 694 PWs) bands (ev):
-1.3846 -1.3846 -0.2548 -0.2548 3.0354 3.0354 4.8984 4.8984
10.0910 10.0910 13.9873 13.9873 15.7483 15.7483 15.7966 15.7966
20.4239 20.4239
k = 0.5000-0.0488-0.6166 ( 694 PWs) bands (ev):
-1.4583 -1.4583 -0.1464 -0.1464 3.0797 3.0797 4.7686 4.7686
10.1495 10.1495 13.9662 13.9662 15.7106 15.7106 15.7395 15.7395
20.5626 20.5626
k = 0.5000-0.0424-0.6258 ( 692 PWs) bands (ev):
-1.5344 -1.5344 -0.0361 -0.0361 3.1309 3.1309 4.6419 4.6419
10.2069 10.2069 13.9337 13.9337 15.6365 15.6365 15.7381 15.7381
20.6990 20.6990
k = 0.5000-0.0361-0.6349 ( 688 PWs) bands (ev):
-1.6128 -1.6128 0.0760 0.0760 3.1886 3.1886 4.5185 4.5185
10.2630 10.2630 13.8905 13.8905 15.5664 15.5664 15.7511 15.7511
20.8331 20.8331
k = 0.7598 0.1058-0.2567 ( 688 PWs) bands (ev):
-1.6128 -1.6128 0.0760 0.0760 3.1886 3.1886 4.5185 4.5185
10.2630 10.2630 13.8905 13.8905 15.5664 15.5664 15.7511 15.7511
20.8331 20.8331
k = 0.7545 0.1092-0.2476 ( 688 PWs) bands (ev):
-1.6923 -1.6923 0.1890 0.1890 3.2519 3.2519 4.3991 4.3991
10.3171 10.3171 13.8384 13.8384 15.5025 15.5025 15.7753 15.7753
20.9638 20.9638
k = 0.7492 0.1126-0.2385 ( 688 PWs) bands (ev):
-1.7732 -1.7732 0.3035 0.3035 3.3208 3.3208 4.2832 4.2832
10.3695 10.3695 13.7784 13.7784 15.4446 15.4446 15.8090 15.8090
21.0910 21.0910
k = 0.7439 0.1160-0.2294 ( 688 PWs) bands (ev):
-1.8551 -1.8551 0.4192 0.4192 3.3949 3.3949 4.1709 4.1709
10.4199 10.4199 13.7121 13.7121 15.3931 15.3931 15.8503 15.8503
21.2136 21.2136
k = 0.7386 0.1194-0.2203 ( 688 PWs) bands (ev):
-1.9377 -1.9377 0.5360 0.5360 3.4738 3.4738 4.0625 4.0625
10.4680 10.4680 13.6409 13.6409 15.3481 15.3481 15.8976 15.8976
21.3289 21.3289
k = 0.7333 0.1228-0.2112 ( 688 PWs) bands (ev):
-2.0207 -2.0207 0.6535 0.6535 3.5573 3.5573 3.9584 3.9584
10.5137 10.5137 13.5658 13.5658 15.3099 15.3099 15.9491 15.9491
21.3941 21.3941
k = 0.7280 0.1262-0.2021 ( 688 PWs) bands (ev):
-2.1038 -2.1038 0.7713 0.7713 3.6450 3.6450 3.8590 3.8590
10.5567 10.5567 13.4880 13.4880 15.2786 15.2786 16.0034 16.0034
21.3872 21.3872
k = 0.7227 0.1296-0.1930 ( 686 PWs) bands (ev):
-2.1869 -2.1869 0.8889 0.8889 3.7350 3.7350 3.7661 3.7661
10.5969 10.5969 13.4082 13.4082 15.2543 15.2543 16.0589 16.0589
21.3580 21.3580
k = 0.7174 0.1330-0.1839 ( 688 PWs) bands (ev):
-2.2696 -2.2696 1.0058 1.0058 3.6749 3.6749 3.8327 3.8327
10.6341 10.6341 13.3273 13.3273 15.2371 15.2371 16.1141 16.1141
21.3106 21.3106
k = 0.7121 0.1365-0.1748 ( 686 PWs) bands (ev):
-2.3518 -2.3518 1.1211 1.1211 3.5927 3.5927 3.9313 3.9313
10.6683 10.6683 13.2458 13.2458 15.2271 15.2271 16.1676 16.1676
21.2477 21.2477
k = 0.7068 0.1399-0.1657 ( 686 PWs) bands (ev):
-2.4332 -2.4332 1.2338 1.2338 3.5179 3.5179 4.0331 4.0331
10.6994 10.6994 13.1642 13.1642 15.2242 15.2242 16.2178 16.2178
21.1720 21.1720
k = 0.7015 0.1433-0.1566 ( 686 PWs) bands (ev):
-2.5138 -2.5138 1.3425 1.3425 3.4518 3.4518 4.1379 4.1379
10.7273 10.7273 13.0828 13.0828 15.2283 15.2283 16.2631 16.2631
21.0853 21.0853
k = 0.6962 0.1467-0.1475 ( 684 PWs) bands (ev):
-2.5934 -2.5934 1.4456 1.4456 3.3961 3.3961 4.2454 4.2454
10.7521 10.7521 13.0021 13.0021 15.2392 15.2392 16.3018 16.3018
20.9896 20.9896
k = 0.6909 0.1501-0.1384 ( 684 PWs) bands (ev):
-2.6718 -2.6718 1.5410 1.5410 3.3530 3.3530 4.3553 4.3553
10.7739 10.7739 12.9222 12.9222 15.2568 15.2568 16.3319 16.3319
20.8863 20.8863
k = 0.6856 0.1535-0.1293 ( 684 PWs) bands (ev):
-2.7489 -2.7489 1.6262 1.6262 3.3248 3.3248 4.4674 4.4674
10.7928 10.7928 12.8435 12.8435 15.2807 15.2807 16.3514 16.3514
20.7767 20.7767
k = 0.6803 0.1569-0.1202 ( 684 PWs) bands (ev):
-2.8246 -2.8246 1.6987 1.6987 3.3141 3.3141 4.5815 4.5815
10.8090 10.8090 12.7660 12.7660 15.3105 15.3105 16.3584 16.3584
20.6620 20.6620
k = 0.6750 0.1603-0.1111 ( 682 PWs) bands (ev):
-2.8988 -2.8988 1.7562 1.7562 3.3232 3.3232 4.6974 4.6974
10.8227 10.8227 12.6899 12.6899 15.3457 15.3457 16.3505 16.3505
20.5433 20.5433
k = 0.6697 0.1637-0.1020 ( 680 PWs) bands (ev):
-2.9715 -2.9715 1.7970 1.7970 3.3536 3.3536 4.8149 4.8149
10.8342 10.8342 12.6155 12.6155 15.3859 15.3859 16.3258 16.3258
20.4216 20.4216
k = 0.6644 0.1672-0.0929 ( 678 PWs) bands (ev):
-3.0425 -3.0425 1.8210 1.8210 3.4056 3.4056 4.9336 4.9336
10.8437 10.8437 12.5427 12.5427 15.4302 15.4302 16.2826 16.2826
20.2979 20.2979
k = 0.6591 0.1706-0.0838 ( 678 PWs) bands (ev):
-3.1117 -3.1117 1.8291 1.8291 3.4779 3.4779 5.0534 5.0534
10.8516 10.8516 12.4717 12.4717 15.4779 15.4779 16.2198 16.2198
20.1732 20.1732
k = 0.6538 0.1740-0.0747 ( 678 PWs) bands (ev):
-3.1791 -3.1791 1.8236 1.8236 3.5685 3.5685 5.1740 5.1740
10.8582 10.8582 12.4026 12.4026 15.5283 15.5283 16.1366 16.1366
20.0485 20.0485
k = 0.6485 0.1774-0.0656 ( 678 PWs) bands (ev):
-3.2447 -3.2447 1.8070 1.8070 3.6746 3.6746 5.2952 5.2952
10.8638 10.8638 12.3355 12.3355 15.5801 15.5801 16.0332 16.0332
19.9250 19.9250
k = 0.6432 0.1808-0.0565 ( 678 PWs) bands (ev):
-3.3083 -3.3083 1.7818 1.7818 3.7938 3.7938 5.4167 5.4167
10.8688 10.8688 12.2703 12.2703 15.6322 15.6322 15.9107 15.9107
19.8040 19.8040
k = 0.6379 0.1842-0.0474 ( 676 PWs) bands (ev):
-3.3700 -3.3700 1.7504 1.7504 3.9236 3.9236 5.5382 5.5382
10.8736 10.8736 12.2072 12.2072 15.6822 15.6822 15.7716 15.7716
19.6868 19.6868
k = 0.6326 0.1876-0.0383 ( 678 PWs) bands (ev):
-3.4296 -3.4296 1.7145 1.7145 4.0621 4.0621 5.6594 5.6594
10.8785 10.8785 12.1463 12.1463 15.6107 15.6107 15.7357 15.7357
19.5749 19.5749
k = 0.6273 0.1910-0.0292 ( 674 PWs) bands (ev):
-3.4872 -3.4872 1.6757 1.6757 4.2078 4.2078 5.7801 5.7801
10.8839 10.8839 12.0875 12.0875 15.4410 15.4410 15.7802 15.7802
19.4701 19.4701
k = 0.6220 0.1944-0.0201 ( 672 PWs) bands (ev):
-3.5426 -3.5426 1.6352 1.6352 4.3592 4.3592 5.8998 5.8998
10.8901 10.8901 12.0309 12.0309 15.2585 15.2585 15.8200 15.8200
19.3742 19.3742
k = 0.6167 0.1979-0.0110 ( 672 PWs) bands (ev):
-3.5959 -3.5959 1.5937 1.5937 4.5155 4.5155 6.0182 6.0182
10.8974 10.8974 11.9765 11.9765 15.0661 15.0661 15.8527 15.8527
19.2891 19.2891
k = 0.6114 0.2013-0.0019 ( 672 PWs) bands (ev):
-3.6470 -3.6470 1.5521 1.5521 4.6758 4.6758 6.1350 6.1350
10.9062 10.9062 11.9244 11.9244 14.8658 14.8658 15.8763 15.8763
19.2168 19.2168
k = 0.6061 0.2047 0.0072 ( 672 PWs) bands (ev):
-3.6959 -3.6959 1.5108 1.5108 4.8394 4.8394 6.2498 6.2498
10.9169 10.9169 11.8745 11.8745 14.6592 14.6592 15.8891 15.8891
19.1592 19.1592
k = 0.6008 0.2081 0.0163 ( 672 PWs) bands (ev):
-3.7426 -3.7426 1.4703 1.4703 5.0057 5.0057 6.3621 6.3621
10.9295 10.9295 11.8270 11.8270 14.4481 14.4481 15.8897 15.8897
19.1180 19.1180
k = 0.5955 0.2115 0.0254 ( 672 PWs) bands (ev):
-3.7870 -3.7870 1.4308 1.4308 5.1741 5.1741 6.4717 6.4717
10.9445 10.9445 11.7818 11.7818 14.2338 14.2338 15.8771 15.8771
19.0944 19.0944
k = 0.5901 0.2149 0.0345 ( 674 PWs) bands (ev):
-3.8291 -3.8291 1.3927 1.3927 5.3442 5.3442 6.5780 6.5780
10.9619 10.9619 11.7390 11.7390 14.0176 14.0176 15.8510 15.8510
19.0891 19.0891
k = 0.5848 0.2183 0.0436 ( 672 PWs) bands (ev):
-3.8689 -3.8689 1.3561 1.3561 5.5153 5.5153 6.6807 6.6807
10.9820 10.9820 11.6985 11.6985 13.8007 13.8007 15.8115 15.8115
19.1023 19.1023
k = 0.5795 0.2217 0.0527 ( 670 PWs) bands (ev):
-3.9064 -3.9064 1.3213 1.3213 5.6869 5.6869 6.7793 6.7793
11.0048 11.0048 11.6604 11.6604 13.5841 13.5841 15.7595 15.7595
19.1333 19.1333
k = 0.5742 0.2251 0.0618 ( 670 PWs) bands (ev):
-3.9416 -3.9416 1.2882 1.2882 5.8585 5.8585 6.8734 6.8734
11.0303 11.0303 11.6246 11.6246 13.3690 13.3690 15.6964 15.6964
19.1813 19.1813
k = 0.5689 0.2286 0.0709 ( 670 PWs) bands (ev):
-3.9744 -3.9744 1.2571 1.2571 6.0293 6.0293 6.9627 6.9627
11.0584 11.0584 11.5913 11.5913 13.1564 13.1564 15.6242 15.6242
19.2449 19.2449
k = 0.5636 0.2320 0.0800 ( 670 PWs) bands (ev):
-4.0048 -4.0048 1.2281 1.2281 6.1986 6.1986 7.0467 7.0467
11.0890 11.0890 11.5604 11.5604 12.9474 12.9474 15.5448 15.5448
19.3225 19.3225
k = 0.5583 0.2354 0.0891 ( 670 PWs) bands (ev):
-4.0328 -4.0328 1.2012 1.2012 6.3655 6.3655 7.1250 7.1250
11.1217 11.1217 11.5319 11.5319 12.7433 12.7433 15.4605 15.4605
19.4127 19.4127
k = 0.5530 0.2388 0.0982 ( 666 PWs) bands (ev):
-4.0584 -4.0584 1.1764 1.1764 6.5289 6.5289 7.1975 7.1975
11.1560 11.1560 11.5058 11.5058 12.5452 12.5452 15.3734 15.3734
19.5137 19.5137
k = 0.5477 0.2422 0.1072 ( 666 PWs) bands (ev):
-4.0816 -4.0816 1.1539 1.1539 6.6876 6.6876 7.2638 7.2638
11.1915 11.1915 11.4821 11.4821 12.3548 12.3548 15.2859 15.2859
19.6243 19.6243
k = 0.5424 0.2456 0.1163 ( 662 PWs) bands (ev):
-4.1024 -4.1024 1.1337 1.1337 6.8400 6.8400 7.3236 7.3236
11.2272 11.2272 11.4608 11.4608 12.1737 12.1737 15.2001 15.2001
19.7429 19.7429
k = 0.5371 0.2490 0.1254 ( 662 PWs) bands (ev):
-4.1208 -4.1208 1.1158 1.1158 6.9841 6.9841 7.3769 7.3769
11.2624 11.2624 11.4418 11.4418 12.0041 12.0041 15.1181 15.1181
19.8684 19.8684
k = 0.5318 0.2524 0.1345 ( 662 PWs) bands (ev):
-4.1367 -4.1367 1.1002 1.1002 7.1178 7.1178 7.4235 7.4235
11.2958 11.2958 11.4250 11.4250 11.8485 11.8485 15.0420 15.0420
19.9995 19.9995
k = 0.5265 0.2558 0.1436 ( 662 PWs) bands (ev):
-4.1502 -4.1502 1.0869 1.0869 7.2384 7.2384 7.4633 7.4633
11.3262 11.3262 11.4104 11.4104 11.7100 11.7100 14.9736 14.9736
20.1351 20.1351
k = 0.5212 0.2592 0.1527 ( 662 PWs) bands (ev):
-4.1613 -4.1613 1.0761 1.0761 7.3427 7.3427 7.4967 7.4967
11.3514 11.3514 11.3980 11.3980 11.5924 11.5924 14.9147 14.9147
20.2741 20.2741
k = 0.5159 0.2627 0.1618 ( 658 PWs) bands (ev):
-4.1699 -4.1699 1.0676 1.0676 7.4268 7.4268 7.5242 7.5242
11.3642 11.3642 11.3911 11.3911 11.5019 11.5019 14.8671 14.8671
20.4146 20.4146
k = 0.5106 0.2661 0.1709 ( 656 PWs) bands (ev):
-4.1760 -4.1760 1.0616 1.0616 7.4863 7.4863 7.5473 7.5473
11.3510 11.3510 11.3959 11.3959 11.4477 11.4477 14.8319 14.8319
20.5536 20.5536
k = 0.5053 0.2695 0.1800 ( 652 PWs) bands (ev):
-4.1797 -4.1797 1.0580 1.0580 7.5180 7.5180 7.5664 7.5664
11.3282 11.3282 11.3977 11.3977 11.4303 11.4303 14.8104 14.8104
20.6808 20.6808
k = 0.5000 0.2729 0.1891 ( 652 PWs) bands (ev):
-4.1809 -4.1809 1.0567 1.0567 7.5270 7.5270 7.5746 7.5746
11.3181 11.3181 11.3967 11.3967 11.4284 11.4284 14.8032 14.8032
20.7481 20.7481
k = 0.5000 0.2729 0.1891 ( 652 PWs) bands (ev):
-4.1809 -4.1809 1.0567 1.0567 7.5270 7.5270 7.5746 7.5746
11.3181 11.3181 11.3967 11.3967 11.4284 11.4284 14.8032 14.8032
20.7481 20.7481
k = 0.4907 0.2678 0.1856 ( 652 PWs) bands (ev):
-4.1837 -4.1837 1.0620 1.0620 7.5270 7.5270 7.5746 7.5746
11.3186 11.3186 11.3984 11.3984 11.4301 11.4301 14.8033 14.8033
20.7427 20.7427
k = 0.4815 0.2628 0.1821 ( 655 PWs) bands (ev):
-4.1921 -4.1921 1.0776 1.0776 7.5271 7.5271 7.5747 7.5747
11.3199 11.3199 11.4033 11.4033 11.4352 11.4352 14.8038 14.8038
20.7266 20.7266
k = 0.4722 0.2577 0.1786 ( 661 PWs) bands (ev):
-4.2060 -4.2060 1.1035 1.1035 7.5272 7.5272 7.5748 7.5748
11.3221 11.3221 11.4115 11.4115 11.4435 11.4435 14.8046 14.8046
20.7001 20.7001
k = 0.4630 0.2527 0.1751 ( 661 PWs) bands (ev):
-4.2251 -4.2251 1.1395 1.1395 7.5274 7.5274 7.5750 7.5750
11.3251 11.3251 11.4230 11.4230 11.4553 11.4553 14.8055 14.8055
20.6638 20.6638
k = 0.4537 0.2476 0.1716 ( 664 PWs) bands (ev):
-4.2493 -4.2493 1.1853 1.1853 7.5277 7.5277 7.5753 7.5753
11.3289 11.3289 11.4378 11.4378 11.4703 11.4703 14.8065 14.8065
20.6182 20.6182
k = 0.4444 0.2426 0.1681 ( 664 PWs) bands (ev):
-4.2782 -4.2782 1.2407 1.2407 7.5280 7.5280 7.5756 7.5756
11.3336 11.3336 11.4559 11.4559 11.4886 11.4886 14.8075 14.8075
20.5642 20.5642
k = 0.4352 0.2375 0.1646 ( 664 PWs) bands (ev):
-4.3115 -4.3115 1.3054 1.3054 7.5284 7.5284 7.5761 7.5761
11.3391 11.3391 11.4772 11.4772 11.5101 11.5101 14.8082 14.8082
20.5027 20.5027
k = 0.4259 0.2325 0.1611 ( 670 PWs) bands (ev):
-4.3489 -4.3489 1.3788 1.3788 7.5290 7.5290 7.5766 7.5766
11.3453 11.3453 11.5017 11.5017 11.5348 11.5348 14.8085 14.8085
20.4346 20.4346
k = 0.4167 0.2274 0.1576 ( 670 PWs) bands (ev):
-4.3900 -4.3900 1.4607 1.4607 7.5296 7.5296 7.5773 7.5773
11.3523 11.3523 11.5294 11.5294 11.5626 11.5626 14.8080 14.8080
20.3610 20.3610
k = 0.4074 0.2224 0.1541 ( 670 PWs) bands (ev):
-4.4343 -4.4343 1.5507 1.5507 7.5304 7.5304 7.5781 7.5781
11.3601 11.3601 11.5601 11.5601 11.5934 11.5934 14.8065 14.8065
20.2829 20.2829
k = 0.3981 0.2173 0.1506 ( 670 PWs) bands (ev):
-4.4815 -4.4815 1.6483 1.6483 7.5313 7.5313 7.5791 7.5791
11.3687 11.3687 11.5938 11.5938 11.6273 11.6273 14.8036 14.8036
20.2011 20.2011
k = 0.3889 0.2122 0.1471 ( 670 PWs) bands (ev):
-4.5312 -4.5312 1.7531 1.7531 7.5324 7.5324 7.5803 7.5803
11.3780 11.3780 11.6304 11.6304 11.6640 11.6640 14.7991 14.7991
20.1104 20.1106
k = 0.3796 0.2072 0.1436 ( 670 PWs) bands (ev):
-4.5831 -4.5831 1.8648 1.8648 7.5337 7.5337 7.5816 7.5816
11.3881 11.3881 11.6699 11.6699 11.7036 11.7036 14.7924 14.7924
19.9927 19.9932
k = 0.3704 0.2021 0.1401 ( 670 PWs) bands (ev):
-4.6367 -4.6367 1.9829 1.9829 7.5352 7.5352 7.5831 7.5831
11.3990 11.3990 11.7121 11.7121 11.7459 11.7459 14.7831 14.7831
19.8713 19.8726
k = 0.3611 0.1971 0.1366 ( 670 PWs) bands (ev):
-4.6917 -4.6917 2.1072 2.1072 7.5369 7.5369 7.5849 7.5849
11.4106 11.4106 11.7569 11.7569 11.7908 11.7908 14.7708 14.7708
19.7487 19.7526
k = 0.3519 0.1920 0.1331 ( 670 PWs) bands (ev):
-4.7479 -4.7479 2.2373 2.2373 7.5388 7.5388 7.5869 7.5869
11.4229 11.4229 11.8043 11.8043 11.8382 11.8382 14.7550 14.7550
19.6261 19.6301
k = 0.3426 0.1870 0.1296 ( 670 PWs) bands (ev):
-4.8048 -4.8048 2.3728 2.3728 7.5410 7.5410 7.5891 7.5891
11.4359 11.4359 11.8540 11.8540 11.8880 11.8880 14.7351 14.7351
19.5031 19.5071
k = 0.3333 0.1819 0.1261 ( 670 PWs) bands (ev):
-4.8624 -4.8624 2.5135 2.5135 7.5434 7.5434 7.5916 7.5916
11.4496 11.4496 11.9061 11.9061 11.9402 11.9402 14.7105 14.7105
19.3817 19.3851
k = 0.3241 0.1769 0.1226 ( 667 PWs) bands (ev):
-4.9202 -4.9202 2.6591 2.6591 7.5461 7.5461 7.5944 7.5944
11.4640 11.4640 11.9603 11.9603 11.9944 11.9944 14.6808 14.6808
19.2620 19.2620
k = 0.3148 0.1718 0.1191 ( 667 PWs) bands (ev):
-4.9780 -4.9780 2.8093 2.8093 7.5490 7.5490 7.5974 7.5974
11.4789 11.4789 12.0165 12.0165 12.0507 12.0507 14.6454 14.6454
19.1444 19.1459
k = 0.3056 0.1668 0.1156 ( 667 PWs) bands (ev):
-5.0358 -5.0358 2.9639 2.9639 7.5522 7.5522 7.6007 7.6007
11.4945 11.4945 12.0746 12.0746 12.1088 12.1088 14.6038 14.6038
19.0295 19.0338
k = 0.2963 0.1617 0.1121 ( 667 PWs) bands (ev):
-5.0931 -5.0931 3.1227 3.1227 7.5557 7.5557 7.6043 7.6043
11.5105 11.5105 12.1343 12.1343 12.1686 12.1686 14.5556 14.5556
18.9174 18.9214
k = 0.2870 0.1567 0.1086 ( 667 PWs) bands (ev):
-5.1499 -5.1499 3.2853 3.2853 7.5595 7.5595 7.6082 7.6082
11.5270 11.5270 12.1956 12.1956 12.2299 12.2299 14.5003 14.5003
18.8078 18.8078
k = 0.2778 0.1516 0.1051 ( 667 PWs) bands (ev):
-5.2061 -5.2061 3.4518 3.4518 7.5635 7.5635 7.6123 7.6123
11.5439 11.5439 12.2582 12.2582 12.2925 12.2925 14.4377 14.4377
18.7023 18.7023
k = 0.2685 0.1466 0.1016 ( 667 PWs) bands (ev):
-5.2613 -5.2613 3.6217 3.6217 7.5678 7.5678 7.6167 7.6167
11.5611 11.5611 12.3220 12.3220 12.3563 12.3563 14.3675 14.3675
18.6007 18.6009
k = 0.2593 0.1415 0.0981 ( 679 PWs) bands (ev):
-5.3157 -5.3157 3.7950 3.7950 7.5723 7.5723 7.6213 7.6213
11.5784 11.5784 12.3867 12.3867 12.4211 12.4211 14.2896 14.2896
18.5036 18.5088
k = 0.2500 0.1364 0.0946 ( 679 PWs) bands (ev):
-5.3688 -5.3688 3.9716 3.9716 7.5771 7.5771 7.6262 7.6262
11.5959 11.5959 12.4522 12.4522 12.4865 12.4865 14.2039 14.2039
18.4105 18.4109
k = 0.2407 0.1314 0.0911 ( 679 PWs) bands (ev):
-5.4208 -5.4208 4.1511 4.1511 7.5821 7.5821 7.6313 7.6313
11.6133 11.6133 12.5181 12.5181 12.5524 12.5524 14.1107 14.1107
18.3226 18.3227
k = 0.2315 0.1263 0.0876 ( 679 PWs) bands (ev):
-5.4715 -5.4715 4.3335 4.3335 7.5873 7.5873 7.6367 7.6367
11.6305 11.6305 12.5843 12.5843 12.6186 12.6186 14.0099 14.0099
18.2398 18.2398
k = 0.2222 0.1213 0.0841 ( 680 PWs) bands (ev):
-5.5207 -5.5207 4.5187 4.5187 7.5927 7.5927 7.6422 7.6422
11.6473 11.6473 12.6505 12.6505 12.6848 12.6848 13.9021 13.9021
18.1625 18.1625
k = 0.2130 0.1162 0.0806 ( 677 PWs) bands (ev):
-5.5684 -5.5684 4.7065 4.7065 7.5982 7.5982 7.6478 7.6478
11.6633 11.6633 12.7164 12.7164 12.7506 12.7506 13.7875 13.7875
18.0910 18.0910
k = 0.2037 0.1112 0.0771 ( 674 PWs) bands (ev):
-5.6145 -5.6145 4.8966 4.8966 7.6039 7.6039 7.6536 7.6536
11.6784 11.6784 12.7817 12.7817 12.8159 12.8159 13.6667 13.6667
18.0255 18.0255
k = 0.1944 0.1061 0.0735 ( 674 PWs) bands (ev):
-5.6590 -5.6590 5.0891 5.0891 7.6097 7.6097 7.6595 7.6595
11.6920 11.6920 12.8461 12.8461 12.8804 12.8804 13.5405 13.5405
17.9664 17.9664
k = 0.1852 0.1011 0.0700 ( 680 PWs) bands (ev):
-5.7018 -5.7018 5.2838 5.2838 7.6156 7.6156 7.6655 7.6655
11.7035 11.7035 12.9093 12.9093 12.9436 12.9436 13.4096 13.4096
17.9139 17.9139
k = 0.1759 0.0960 0.0665 ( 680 PWs) bands (ev):
-5.7428 -5.7428 5.4805 5.4805 7.6215 7.6215 7.6715 7.6715
11.7123 11.7123 12.9707 12.9707 13.0054 13.0054 13.2754 13.2754
17.8684 17.8684
k = 0.1667 0.0910 0.0630 ( 674 PWs) bands (ev):
-5.7819 -5.7819 5.6791 5.6791 7.6274 7.6274 7.6775 7.6775
11.7173 11.7173 13.0287 13.0287 13.0654 13.0654 13.1406 13.1406
17.8300 17.8300
k = 0.1574 0.0859 0.0595 ( 680 PWs) bands (ev):
-5.8192 -5.8192 5.8794 5.8794 7.6333 7.6333 7.6835 7.6835
11.7168 11.7168 12.9956 12.9956 13.0943 13.0943 13.1234 13.1234
17.7989 17.7989
k = 0.1481 0.0809 0.0560 ( 683 PWs) bands (ev):
-5.8546 -5.8546 6.0813 6.0813 7.6391 7.6391 7.6895 7.6895
11.7087 11.7087 12.8627 12.8627 13.1475 13.1475 13.1790 13.1790
17.7753 17.7753
k = 0.1389 0.0758 0.0525 ( 683 PWs) bands (ev):
-5.8880 -5.8880 6.2847 6.2847 7.6448 7.6448 7.6953 7.6953
11.6900 11.6900 12.7329 12.7329 13.2003 13.2003 13.2320 13.2320
17.7594 17.7594
k = 0.1296 0.0707 0.0490 ( 683 PWs) bands (ev):
-5.9194 -5.9194 6.4894 6.4894 7.6504 7.6504 7.7009 7.7009
11.6564 11.6564 12.6126 12.6126 13.2505 13.2505 13.2822 13.2822
17.7512 17.7512
k = 0.1204 0.0657 0.0455 ( 683 PWs) bands (ev):
-5.9487 -5.9487 6.6953 6.6953 7.6559 7.6559 7.7064 7.7064
11.6032 11.6032 12.5070 12.5070 13.2977 13.2977 13.3292 13.3292
17.7507 17.7507
k = 0.1111 0.0606 0.0420 ( 686 PWs) bands (ev):
-5.9760 -5.9760 6.9021 6.9021 7.6611 7.6611 7.7117 7.7117
11.5262 11.5262 12.4205 12.4205 13.3417 13.3417 13.3730 13.3730
17.7577 17.7577
k = 0.1019 0.0556 0.0385 ( 680 PWs) bands (ev):
-6.0012 -6.0012 7.1097 7.1097 7.6662 7.6662 7.7167 7.7167
11.4239 11.4239 12.3549 12.3549 13.3824 13.3824 13.4134 13.4134
17.7721 17.7721
k = 0.0926 0.0505 0.0350 ( 686 PWs) bands (ev):
-6.0243 -6.0243 7.3177 7.3177 7.6712 7.6712 7.7214 7.7214
11.2982 11.2982 12.3085 12.3085 13.4196 13.4196 13.4503 13.4503
17.7934 17.7934
k = 0.0833 0.0455 0.0315 ( 686 PWs) bands (ev):
-6.0453 -6.0453 7.5251 7.5251 7.6768 7.6768 7.7258 7.7258
11.1532 11.1532 12.2775 12.2775 13.4531 13.4531 13.4836 13.4836
17.8211 17.8211
k = 0.0741 0.0404 0.0280 ( 680 PWs) bands (ev):
-6.0640 -6.0640 7.6729 7.6729 7.7298 7.7298 7.7418 7.7418
10.9934 10.9934 12.2577 12.2577 13.4831 13.4831 13.5132 13.5132
17.8544 17.8544
k = 0.0648 0.0354 0.0245 ( 680 PWs) bands (ev):
-6.0807 -6.0807 7.6806 7.6806 7.7334 7.7334 7.9463 7.9463
10.8228 10.8228 12.2456 12.2456 13.5094 13.5094 13.5392 13.5392
17.8922 17.8922
k = 0.0556 0.0303 0.0210 ( 680 PWs) bands (ev):
-6.0951 -6.0951 7.6843 7.6843 7.7366 7.7366 8.1538 8.1538
10.6443 10.6443 12.2384 12.2384 13.5320 13.5320 13.5616 13.5616
17.9332 17.9332
k = 0.0463 0.0253 0.0175 ( 680 PWs) bands (ev):
-6.1073 -6.1073 7.6873 7.6873 7.7394 7.7394 8.3603 8.3603
10.4604 10.4604 12.2345 12.2345 13.5511 13.5511 13.5805 13.5805
17.9755 17.9755
k = 0.0370 0.0202 0.0140 ( 680 PWs) bands (ev):
-6.1173 -6.1173 7.6896 7.6896 7.7417 7.7417 8.5646 8.5646
10.2735 10.2735 12.2325 12.2325 13.5666 13.5666 13.5958 13.5958
18.0168 18.0168
k = 0.0278 0.0152 0.0105 ( 680 PWs) bands (ev):
-6.1251 -6.1251 7.6914 7.6914 7.7435 7.7435 8.7645 8.7645
10.0864 10.0864 12.2317 12.2317 13.5786 13.5786 13.6076 13.6076
18.0542 18.0542
k = 0.0185 0.0101 0.0070 ( 680 PWs) bands (ev):
-6.1307 -6.1307 7.6927 7.6927 7.7448 7.7448 8.9548 8.9548
9.9050 9.9050 12.2315 12.2315 13.5871 13.5871 13.6160 13.6160
18.0845 18.0845
k = 0.0093 0.0051 0.0035 ( 680 PWs) bands (ev):
-6.1341 -6.1341 7.6935 7.6935 7.7455 7.7455 9.1189 9.1189
9.7461 9.7461 12.2315 12.2315 13.5922 13.5922 13.6210 13.6210
18.1043 18.1043
k = 0.0000 0.0000 0.0000 ( 683 PWs) bands (ev):
-6.1352 -6.1352 7.6938 7.6938 7.7458 7.7458 9.1971 9.1971
9.6695 9.6695 12.2315 12.2315 13.5939 13.5939 13.6227 13.6227
18.1112 18.1112
k = 0.0000 0.0000 0.0000 ( 683 PWs) bands (ev):
-6.1352 -6.1352 7.6938 7.6938 7.7458 7.7458 9.1971 9.1971
9.6695 9.6695 12.2315 12.2315 13.5939 13.5939 13.6227 13.6227
18.1112 18.1112
k = 0.0054-0.0034-0.0092 ( 680 PWs) bands (ev):
-6.1338 -6.1338 7.6844 7.6844 7.7378 7.7378 9.2038 9.2038
9.6693 9.6693 12.2392 12.2392 13.5959 13.5959 13.6251 13.6251
18.0937 18.0937
k = 0.0107-0.0069-0.0184 ( 678 PWs) bands (ev):
-6.1298 -6.1298 7.6497 7.6497 7.7215 7.7215 9.2230 9.2230
9.6688 9.6688 12.2619 12.2619 13.6000 13.6000 13.6342 13.6342
18.0375 18.0375
k = 0.0161-0.0103-0.0276 ( 678 PWs) bands (ev):
-6.1230 -6.1230 7.5845 7.5845 7.7049 7.7049 9.2521 9.2521
9.6680 9.6680 12.2988 12.2988 13.6028 13.6028 13.6539 13.6539
17.9467 17.9467
k = 0.0215-0.0138-0.0368 ( 676 PWs) bands (ev):
-6.1135 -6.1135 7.4941 7.4941 7.6866 7.6866 9.2881 9.2881
9.6670 9.6670 12.3484 12.3484 13.6037 13.6037 13.6853 13.6853
17.8315 17.8315
k = 0.0268-0.0172-0.0460 ( 676 PWs) bands (ev):
-6.1013 -6.1013 7.3843 7.3843 7.6649 7.6649 9.3280 9.3280
9.6659 9.6659 12.4087 12.4087 13.6037 13.6037 13.7283 13.7283
17.6998 17.6998
k = 0.0322-0.0207-0.0552 ( 676 PWs) bands (ev):
-6.0864 -6.0864 7.2593 7.2593 7.6390 7.6390 9.3695 9.3695
9.6649 9.6649 12.4773 12.4773 13.6033 13.6033 13.7834 13.7834
17.5573 17.5573
k = 0.0375-0.0241-0.0644 ( 676 PWs) bands (ev):
-6.0688 -6.0688 7.1222 7.1222 7.6085 7.6085 9.4110 9.4110
9.6643 9.6643 12.5519 12.5519 13.6028 13.6028 13.8513 13.8513
17.4077 17.4077
k = 0.0429-0.0276-0.0736 ( 676 PWs) bands (ev):
-6.0485 -6.0485 6.9757 6.9757 7.5732 7.5732 9.4515 9.4515
9.6641 9.6641 12.6299 12.6299 13.6024 13.6024 13.9327 13.9327
17.2539 17.2539
k = 0.0483-0.0310-0.0828 ( 678 PWs) bands (ev):
-6.0256 -6.0256 6.8218 6.8218 7.5332 7.5332 9.4902 9.4902
9.6646 9.6646 12.7089 12.7089 13.6023 13.6023 14.0279 14.0279
17.0979 17.0979
k = 0.0536-0.0345-0.0920 ( 680 PWs) bands (ev):
-5.9999 -5.9999 6.6620 6.6620 7.4882 7.4882 9.5269 9.5269
9.6660 9.6660 12.7873 12.7873 13.6024 13.6024 14.1368 14.1368
16.9414 16.9414
k = 0.0590-0.0379-0.1012 ( 682 PWs) bands (ev):
-5.9715 -5.9715 6.4976 6.4976 7.4384 7.4384 9.5615 9.5615
9.6684 9.6684 12.8637 12.8637 13.6028 13.6028 14.2585 14.2585
16.7854 16.7854
k = 0.0644-0.0414-0.1104 ( 680 PWs) bands (ev):
-5.9404 -5.9404 6.3297 6.3297 7.3837 7.3837 9.5940 9.5940
9.6720 9.6720 12.9374 12.9374 13.6035 13.6035 14.3911 14.3911
16.6310 16.6310
k = 0.0697-0.0448-0.1196 ( 680 PWs) bands (ev):
-5.9067 -5.9067 6.1591 6.1591 7.3242 7.3242 9.6244 9.6244
9.6770 9.6770 13.0084 13.0084 13.6045 13.6045 14.5317 14.5317
16.4792 16.4792
k = 0.0751-0.0483-0.1288 ( 680 PWs) bands (ev):
-5.8703 -5.8703 5.9864 5.9864 7.2599 7.2599 9.6524 9.6524
9.6836 9.6836 13.0769 13.0769 13.6055 13.6055 14.6758 14.6758
16.3309 16.3309
k = 0.0805-0.0517-0.1380 ( 680 PWs) bands (ev):
-5.8312 -5.8312 5.8124 5.8124 7.1912 7.1912 9.6769 9.6769
9.6933 9.6933 13.1433 13.1433 13.6063 13.6063 14.8169 14.8169
16.1869 16.1869
k = 0.0858-0.0552-0.1472 ( 680 PWs) bands (ev):
-5.7894 -5.7894 5.6374 5.6374 7.1180 7.1180 9.6937 9.6937
9.7100 9.7100 13.2081 13.2081 13.6066 13.6066 14.9455 14.9455
16.0482 16.0482
k = 0.0912-0.0586-0.1564 ( 682 PWs) bands (ev):
-5.7450 -5.7450 5.4619 5.4619 7.0407 7.0407 9.7055 9.7055
9.7312 9.7312 13.2719 13.2719 13.6060 13.6060 15.0483 15.0483
15.9155 15.9155
k = 0.0965-0.0621-0.1656 ( 682 PWs) bands (ev):
-5.6980 -5.6980 5.2863 5.2863 6.9593 6.9593 9.7171 9.7171
9.7518 9.7518 13.3353 13.3353 13.6041 13.6041 15.1113 15.1113
15.7900 15.7900
k = 0.1019-0.0655-0.1748 ( 682 PWs) bands (ev):
-5.6483 -5.6483 5.1108 5.1108 6.8743 6.8743 9.7293 9.7293
9.7709 9.7709 13.3985 13.3985 13.6001 13.6001 15.1266 15.1266
15.6727 15.6727
k = 0.1073-0.0690-0.1840 ( 684 PWs) bands (ev):
-5.5959 -5.5959 4.9357 4.9357 6.7859 6.7859 9.7421 9.7421
9.7880 9.7880 13.4619 13.4619 13.5937 13.5937 15.0988 15.0988
15.5647 15.5647
k = 0.1126-0.0724-0.1932 ( 682 PWs) bands (ev):
-5.5410 -5.5410 4.7613 4.7613 6.6943 6.6943 9.7554 9.7554
9.8029 9.8029 13.5244 13.5244 13.5853 13.5853 15.0403 15.0403
15.4672 15.4672
k = 0.1180-0.0759-0.2024 ( 684 PWs) bands (ev):
-5.4834 -5.4834 4.5877 4.5877 6.5997 6.5997 9.7690 9.7690
9.8154 9.8154 13.5603 13.5603 13.6003 13.6003 14.9633 14.9633
15.3813 15.3813
k = 0.1234-0.0793-0.2116 ( 684 PWs) bands (ev):
-5.4232 -5.4232 4.4151 4.4151 6.5026 6.5026 9.7824 9.7824
9.8254 9.8254 13.5454 13.5454 13.6627 13.6627 14.8766 14.8766
15.3081 15.3081
k = 0.1287-0.0828-0.2208 ( 680 PWs) bands (ev):
-5.3604 -5.3604 4.2436 4.2436 6.4032 6.4032 9.7954 9.7954
9.8324 9.8324 13.5217 13.5217 13.7302 13.7302 14.7863 14.7863
15.2482 15.2482
k = 0.1341-0.0862-0.2300 ( 682 PWs) bands (ev):
-5.2951 -5.2951 4.0735 4.0735 6.3017 6.3017 9.8075 9.8075
9.8363 9.8363 13.4924 13.4924 13.7997 13.7997 14.6959 14.6959
15.2021 15.2021
k = 0.1395-0.0897-0.2392 ( 678 PWs) bands (ev):
-5.2272 -5.2272 3.9048 3.9048 6.1984 6.1984 9.8183 9.8183
9.8368 9.8368 13.4583 13.4583 13.8711 13.8711 14.6082 14.6082
15.1700 15.1700
k = 0.1448-0.0931-0.2484 ( 682 PWs) bands (ev):
-5.1567 -5.1567 3.7376 3.7376 6.0936 6.0936 9.8270 9.8270
9.8340 9.8340 13.4203 13.4203 13.9443 13.9443 14.5248 14.5248
15.1514 15.1514
k = 0.1502-0.0966-0.2576 ( 682 PWs) bands (ev):
-5.0837 -5.0837 3.5720 3.5720 5.9875 5.9875 9.8255 9.8255
9.8350 9.8350 13.3796 13.3796 14.0192 14.0192 14.4472 14.4472
15.1458 15.1458
k = 0.1555-0.1000-0.2668 ( 682 PWs) bands (ev):
-5.0081 -5.0081 3.4082 3.4082 5.8805 5.8805 9.8143 9.8143
9.8388 9.8388 13.3376 13.3376 14.0958 14.0958 14.3765 14.3765
15.1522 15.1522
k = 0.1609-0.1035-0.2760 ( 680 PWs) bands (ev):
-4.9301 -4.9301 3.2461 3.2461 5.7726 5.7726 9.7984 9.7984
9.8396 9.8396 13.2959 13.2959 14.1729 14.1729 14.3147 14.3147
15.1696 15.1696
k = 0.1663-0.1069-0.2853 ( 680 PWs) bands (ev):
-4.8495 -4.8495 3.0859 3.0859 5.6642 5.6642 9.7777 9.7777
9.8365 9.8365 13.2561 13.2561 14.2316 14.2316 14.2812 14.2812
15.1971 15.1971
k = 0.1716-0.1104-0.2945 ( 676 PWs) bands (ev):
-4.7665 -4.7665 2.9276 2.9276 5.5554 5.5554 9.7523 9.7523
9.8291 9.8291 13.2196 13.2196 14.2018 14.2018 14.3467 14.3467
15.2336 15.2336
k = 0.1770-0.1138-0.3037 ( 674 PWs) bands (ev):
-4.6811 -4.6811 2.7713 2.7713 5.4465 5.4465 9.7219 9.7219
9.8169 9.8169 13.1877 13.1877 14.1645 14.1645 14.4304 14.4304
15.2782 15.2782
k = 0.1824-0.1173-0.3129 ( 676 PWs) bands (ev):
-4.5932 -4.5932 2.6170 2.6170 5.3376 5.3376 9.6866 9.6866
9.7995 9.7995 13.1616 13.1616 14.1347 14.1347 14.5175 14.5175
15.3302 15.3302
k = 0.1877-0.1207-0.3221 ( 676 PWs) bands (ev):
-4.5029 -4.5029 2.4648 2.4648 5.2290 5.2290 9.6465 9.6465
9.7766 9.7766 13.1424 13.1424 14.1134 14.1134 14.6072 14.6072
15.3888 15.3888
k = 0.1931-0.1242-0.3313 ( 678 PWs) bands (ev):
-4.4103 -4.4103 2.3147 2.3147 5.1207 5.1207 9.6016 9.6016
9.7480 9.7480 13.1307 13.1307 14.1008 14.1008 14.6991 14.6991
15.4534 15.4534
k = 0.1984-0.1276-0.3405 ( 682 PWs) bands (ev):
-4.3153 -4.3153 2.1667 2.1667 5.0131 5.0131 9.5521 9.5521
9.7137 9.7137 13.1271 13.1271 14.0970 14.0970 14.7934 14.7934
15.5236 15.5236
k = 0.2038-0.1311-0.3497 ( 682 PWs) bands (ev):
-4.2180 -4.2180 2.0210 2.0210 4.9062 4.9062 9.4984 9.4984
9.6736 9.6736 13.1320 13.1320 14.1017 14.1017 14.8899 14.8899
15.5990 15.5990
k = 0.2092-0.1345-0.3589 ( 684 PWs) bands (ev):
-4.1184 -4.1184 1.8775 1.8775 4.8001 4.8001 9.4406 9.4406
9.6279 9.6279 13.1456 13.1456 14.1147 14.1147 14.9886 14.9886
15.6792 15.6792
k = 0.2145-0.1380-0.3681 ( 686 PWs) bands (ev):
-4.0166 -4.0166 1.7362 1.7362 4.6951 4.6951 9.3790 9.3790
9.5768 9.5768 13.1678 13.1678 14.1359 14.1359 15.0895 15.0895
15.7639 15.7639
k = 0.2199-0.1414-0.3773 ( 682 PWs) bands (ev):
-3.9125 -3.9125 1.5973 1.5973 4.5913 4.5913 9.3141 9.3141
9.5208 9.5208 13.1987 13.1987 14.1648 14.1648 15.1926 15.1926
15.8528 15.8528
k = 0.2253-0.1449-0.3865 ( 684 PWs) bands (ev):
-3.8063 -3.8063 1.4606 1.4606 4.4888 4.4888 9.2462 9.2462
9.4600 9.4600 13.2379 13.2379 14.2012 14.2012 15.2979 15.2979
15.9457 15.9457
k = 0.2306-0.1483-0.3957 ( 680 PWs) bands (ev):
-3.6980 -3.6980 1.3264 1.3264 4.3877 4.3877 9.1756 9.1756
9.3952 9.3952 13.2852 13.2852 14.2447 14.2447 15.4054 15.4054
16.0424 16.0424
k = 0.2360-0.1518-0.4049 ( 684 PWs) bands (ev):
-3.5877 -3.5877 1.1945 1.1945 4.2882 4.2882 9.1026 9.1026
9.3265 9.3265 13.3403 13.3403 14.2949 14.2949 15.5151 15.5151
16.1428 16.1428
k = 0.2414-0.1552-0.4141 ( 684 PWs) bands (ev):
-3.4754 -3.4754 1.0650 1.0650 4.1904 4.1904 9.0278 9.0278
9.2546 9.2546 13.4028 13.4028 14.3516 14.3516 15.6269 15.6269
16.2467 16.2467
k = 0.2467-0.1587-0.4233 ( 684 PWs) bands (ev):
-3.3611 -3.3611 0.9379 0.9379 4.0945 4.0945 8.9513 8.9513
9.1800 9.1800 13.4723 13.4723 14.4142 14.4142 15.7409 15.7409
16.3539 16.3539
k = 0.2521-0.1621-0.4325 ( 684 PWs) bands (ev):
-3.2449 -3.2449 0.8132 0.8132 4.0005 4.0005 8.8736 8.8736
9.1029 9.1029 13.5484 13.5484 14.4826 14.4826 15.8569 15.8569
16.4644 16.4644
k = 0.2574-0.1656-0.4417 ( 690 PWs) bands (ev):
-3.1270 -3.1270 0.6910 0.6910 3.9086 3.9086 8.7949 8.7949
9.0239 9.0239 13.6309 13.6309 14.5564 14.5564 15.9751 15.9751
16.5779 16.5779
k = 0.2628-0.1690-0.4509 ( 690 PWs) bands (ev):
-3.0073 -3.0073 0.5713 0.5713 3.8189 3.8189 8.7156 8.7156
8.9434 8.9434 13.7194 13.7194 14.6352 14.6352 16.0954 16.0954
16.6943 16.6943
k = 0.2682-0.1725-0.4601 ( 692 PWs) bands (ev):
-2.8861 -2.8861 0.4541 0.4541 3.7315 3.7315 8.6359 8.6359
8.8616 8.8616 13.8135 13.8135 14.7188 14.7188 16.2177 16.2177
16.8135 16.8135
k = 0.2735-0.1759-0.4693 ( 690 PWs) bands (ev):
-2.7633 -2.7633 0.3393 0.3393 3.6467 3.6467 8.5560 8.5560
8.7790 8.7790 13.9130 13.9130 14.8069 14.8069 16.3420 16.3420
16.9353 16.9353
k = 0.2789-0.1794-0.4785 ( 690 PWs) bands (ev):
-2.6391 -2.6391 0.2271 0.2271 3.5645 3.5645 8.4762 8.4762
8.6958 8.6958 14.0176 14.0176 14.8992 14.8992 16.4683 16.4683
17.0592 17.0592
k = 0.2843-0.1828-0.4877 ( 690 PWs) bands (ev):
-2.5137 -2.5137 0.1174 0.1174 3.4851 3.4851 8.3967 8.3967
8.6122 8.6122 14.1270 14.1270 14.9955 14.9955 16.5966 16.5966
17.1848 17.1848
k = 0.2896-0.1863-0.4969 ( 692 PWs) bands (ev):
-2.3872 -2.3872 0.0103 0.0103 3.4087 3.4087 8.3177 8.3177
8.5286 8.5286 14.2410 14.2410 15.0955 15.0955 16.7269 16.7269
17.3109 17.3109
k = 0.2950-0.1897-0.5061 ( 692 PWs) bands (ev):
-2.2597 -2.2597 -0.0942 -0.0942 3.3354 3.3354 8.2394 8.2394
8.4451 8.4451 14.3594 14.3594 15.1991 15.1991 16.8590 16.8590
17.4348 17.4348
k = 0.3004-0.1932-0.5153 ( 692 PWs) bands (ev):
-2.1314 -2.1314 -0.1962 -0.1962 3.2655 3.2655 8.1619 8.1619
8.3618 8.3618 14.4820 14.4820 15.3059 15.3059 16.9930 16.9930
17.5478 17.5478
k = 0.3057-0.1966-0.5245 ( 694 PWs) bands (ev):
-2.0026 -2.0026 -0.2956 -0.2956 3.1990 3.1990 8.0854 8.0854
8.2790 8.2790 14.6087 14.6087 15.4159 15.4159 17.1288 17.1288
17.6090 17.6090
k = 0.3111-0.2001-0.5337 ( 692 PWs) bands (ev):
-1.8735 -1.8735 -0.3924 -0.3924 3.1364 3.1364 8.0100 8.0100
8.1968 8.1968 14.7392 14.7392 15.5286 15.5286 17.2659 17.2659
17.5009 17.5009
k = 0.3164-0.2035-0.5429 ( 692 PWs) bands (ev):
-1.7442 -1.7442 -0.4866 -0.4866 3.0778 3.0778 7.9358 7.9358
8.1152 8.1152 14.8733 14.8733 15.6441 15.6441 17.2595 17.2595
17.4076 17.4076
k = 0.3218-0.2070-0.5521 ( 686 PWs) bands (ev):
-1.6152 -1.6152 -0.5782 -0.5782 3.0235 3.0235 7.8630 7.8630
8.0344 8.0344 15.0109 15.0109 15.7620 15.7620 16.9895 16.9895
17.5476 17.5476
k = 0.3272-0.2104-0.5613 ( 686 PWs) bands (ev):
-1.4868 -1.4868 -0.6672 -0.6672 2.9738 2.9738 7.7916 7.7916
7.9544 7.9544 15.1517 15.1517 15.8822 15.8822 16.7107 16.7107
17.6901 17.6901
k = 0.3325-0.2139-0.5705 ( 684 PWs) bands (ev):
-1.3592 -1.3592 -0.7535 -0.7535 2.9291 2.9291 7.7218 7.7218
7.8754 7.8754 15.2950 15.2950 16.0044 16.0044 16.4305 16.4305
17.8343 17.8343
k = 0.3379-0.2173-0.5797 ( 688 PWs) bands (ev):
-1.2330 -1.2330 -0.8372 -0.8372 2.8897 2.8897 7.6535 7.6535
7.7973 7.7973 15.4391 15.4391 16.1243 16.1243 16.1569 16.1569
17.9800 17.9800
k = 0.3433-0.2208-0.5889 ( 688 PWs) bands (ev):
-1.1087 -1.1087 -0.9182 -0.9182 2.8562 2.8562 7.5870 7.5870
7.7201 7.7201 15.5734 15.5734 15.8881 15.8881 16.2553 16.2553
18.1272 18.1272
k = 0.3486-0.2242-0.5981 ( 688 PWs) bands (ev):
-0.9978 -0.9978 -0.9853 -0.9853 2.8288 2.8288 7.5222 7.5222
7.6439 7.6439 15.5399 15.5399 15.7974 15.7974 16.3825 16.3825
18.2757 18.2757
k = 0.3540-0.2277-0.6073 ( 688 PWs) bands (ev):
-1.0724 -1.0724 -0.8672 -0.8672 2.8083 2.8083 7.4592 7.4592
7.5687 7.5687 15.2881 15.2881 15.9303 15.9303 16.5112 16.5112
18.4254 18.4254
k = 0.3594-0.2311-0.6165 ( 688 PWs) bands (ev):
-1.1454 -1.1454 -0.7514 -0.7514 2.7950 2.7950 7.3981 7.3981
7.4944 7.4944 15.0193 15.0193 16.0861 16.0861 16.6409 16.6409
18.5762 18.5762
k = 0.3647-0.2346-0.6257 ( 688 PWs) bands (ev):
-1.2157 -1.2157 -0.6397 -0.6397 2.7895 2.7895 7.3389 7.3389
7.4210 7.4210 14.7505 14.7505 16.2481 16.2481 16.7715 16.7715
18.7281 18.7281
k = 0.3701-0.2380-0.6349 ( 688 PWs) bands (ev):
-1.2834 -1.2834 -0.5328 -0.5328 2.7925 2.7925 7.2816 7.2816
7.3485 7.3485 14.4843 14.4843 16.4141 16.4141 16.9027 16.9027
18.8808 18.8808
k = 0.6299 0.0348-0.4458 ( 688 PWs) bands (ev):
-1.2834 -1.2834 -0.5328 -0.5328 2.7925 2.7925 7.2816 7.2816
7.3485 7.3485 14.4843 14.4843 16.4141 16.4141 16.9027 16.9027
18.8808 18.8808
k = 0.6247 0.0444-0.4458 ( 690 PWs) bands (ev):
-1.3464 -1.3464 -0.4342 -0.4342 2.8039 2.8039 7.2278 7.2278
7.2791 7.2791 14.2297 14.2297 16.5780 16.5780 17.0302 17.0302
19.0295 19.0295
k = 0.6195 0.0539-0.4458 ( 690 PWs) bands (ev):
-1.4068 -1.4068 -0.3412 -0.3412 2.8243 2.8243 7.1753 7.1753
7.2109 7.2109 13.9789 13.9789 16.7448 16.7448 17.1577 17.1577
19.1787 19.1787
k = 0.6143 0.0634-0.4458 ( 690 PWs) bands (ev):
-1.4647 -1.4647 -0.2543 -0.2543 2.8539 2.8539 7.1227 7.1227
7.1452 7.1452 13.7325 13.7325 16.9142 16.9142 17.2851 17.2851
19.3283 19.3283
k = 0.6091 0.0729-0.4458 ( 684 PWs) bands (ev):
-1.5201 -1.5201 -0.1739 -0.1739 2.8930 2.8930 7.0644 7.0644
7.0876 7.0876 13.4908 13.4908 17.0862 17.0862 17.4120 17.4120
19.4779 19.4779
k = 0.6039 0.0825-0.4458 ( 684 PWs) bands (ev):
-1.5729 -1.5729 -0.1003 -0.1003 2.9420 2.9420 6.9991 6.9991
7.0392 7.0392 13.2543 13.2543 17.2607 17.2607 17.5381 17.5381
19.6275 19.6275
k = 0.5987 0.0920-0.4458 ( 686 PWs) bands (ev):
-1.6232 -1.6232 -0.0336 -0.0336 3.0007 3.0007 6.9316 6.9316
6.9948 6.9948 13.0234 13.0234 17.4375 17.4375 17.6632 17.6632
19.7767 19.7767
k = 0.5935 0.1015-0.4458 ( 686 PWs) bands (ev):
-1.6710 -1.6710 0.0262 0.0262 3.0690 3.0690 6.8634 6.8634
6.9532 6.9532 12.7985 12.7985 17.6164 17.6164 17.7871 17.7871
19.9252 19.9252
k = 0.5883 0.1110-0.4458 ( 686 PWs) bands (ev):
-1.7161 -1.7161 0.0792 0.0792 3.1466 3.1466 6.7943 6.7943
6.9138 6.9138 12.5803 12.5803 17.7970 17.7970 17.9097 17.9097
20.0726 20.0726
k = 0.5831 0.1205-0.4458 ( 688 PWs) bands (ev):
-1.7587 -1.7587 0.1256 0.1256 3.2331 3.2331 6.7244 6.7244
6.8768 6.8768 12.3691 12.3691 17.9770 17.9770 18.0328 18.0328
20.2185 20.2185
k = 0.5780 0.1301-0.4458 ( 688 PWs) bands (ev):
-1.7988 -1.7988 0.1658 0.1658 3.3279 3.3279 6.6533 6.6533
6.8419 6.8419 12.1656 12.1656 18.1330 18.1330 18.1794 18.1794
20.3625 20.3625
k = 0.5728 0.1396-0.4458 ( 692 PWs) bands (ev):
-1.8362 -1.8362 0.2004 0.2004 3.4302 3.4302 6.5808 6.5808
6.8092 6.8092 11.9704 11.9704 18.2522 18.2522 18.3614 18.3614
20.5038 20.5038
k = 0.5676 0.1491-0.4458 ( 692 PWs) bands (ev):
-1.8711 -1.8711 0.2298 0.2298 3.5393 3.5393 6.5066 6.5066
6.7788 6.7788 11.7842 11.7842 18.3631 18.3631 18.5501 18.5501
20.6420 20.6420
k = 0.5624 0.1586-0.4458 ( 692 PWs) bands (ev):
-1.9035 -1.9035 0.2546 0.2546 3.6544 3.6544 6.4302 6.4302
6.7505 6.7505 11.6075 11.6075 18.4689 18.4689 18.7414 18.7414
20.7761 20.7761
k = 0.5572 0.1682-0.4458 ( 692 PWs) bands (ev):
-1.9332 -1.9332 0.2753 0.2753 3.7746 3.7746 6.3514 6.3514
6.7245 6.7245 11.4412 11.4412 18.5695 18.5695 18.9346 18.9346
20.9054 20.9054
k = 0.5520 0.1777-0.4458 ( 692 PWs) bands (ev):
-1.9604 -1.9604 0.2924 0.2924 3.8990 3.8990 6.2698 6.2698
6.7007 6.7007 11.2860 11.2860 18.6645 18.6645 19.1296 19.1296
21.0289 21.0289
k = 0.5468 0.1872-0.4458 ( 692 PWs) bands (ev):
-1.9850 -1.9850 0.3064 0.3064 4.0268 4.0268 6.1850 6.1850
6.6792 6.6792 11.1426 11.1426 18.7532 18.7532 19.3260 19.3260
21.1454 21.1454
k = 0.5416 0.1967-0.4458 ( 690 PWs) bands (ev):
-2.0070 -2.0070 0.3178 0.3178 4.1571 4.1571 6.0969 6.0969
6.6599 6.6599 11.0118 11.0118 18.8351 18.8351 19.5235 19.5235
21.2539 21.2539
k = 0.5364 0.2062-0.4458 ( 688 PWs) bands (ev):
-2.0264 -2.0264 0.3270 0.3270 4.2889 4.2889 6.0051 6.0051
6.6428 6.6428 10.8943 10.8943 18.9094 18.9094 19.7219 19.7219
21.3532 21.3532
k = 0.5312 0.2158-0.4458 ( 686 PWs) bands (ev):
-2.0432 -2.0432 0.3343 0.3343 4.4213 4.4213 5.9097 5.9097
6.6280 6.6280 10.7908 10.7908 18.9755 18.9755 19.9207 19.9207
21.4419 21.4419
k = 0.5260 0.2253-0.4458 ( 686 PWs) bands (ev):
-2.0575 -2.0575 0.3399 0.3399 4.5533 4.5533 5.8106 5.8106
6.6155 6.6155 10.7021 10.7021 19.0328 19.0328 20.1192 20.1192
21.5191 21.5191
k = 0.5208 0.2348-0.4458 ( 682 PWs) bands (ev):
-2.0691 -2.0691 0.3443 0.3443 4.6838 4.6838 5.7083 5.7083
6.6053 6.6053 10.6286 10.6286 19.0805 19.0805 20.3162 20.3162
21.5837 21.5837
k = 0.5156 0.2443-0.4458 ( 682 PWs) bands (ev):
-2.0782 -2.0782 0.3474 0.3474 4.8108 4.8108 5.6039 5.6039
6.5973 6.5973 10.5709 10.5709 19.1183 19.1183 20.5095 20.5095
21.6347 21.6347
k = 0.5104 0.2538-0.4458 ( 682 PWs) bands (ev):
-2.0846 -2.0846 0.3496 0.3496 4.9308 4.9308 5.5004 5.5004
6.5916 6.5916 10.5293 10.5293 19.1456 19.1456 20.6940 20.6940
21.6012 21.6012
k = 0.5052 0.2634-0.4458 ( 684 PWs) bands (ev):
-2.0885 -2.0885 0.3508 0.3508 5.0336 5.0336 5.4077 5.4077
6.5882 6.5882 10.5043 10.5043 19.1622 19.1622 20.8531 20.8531
21.4538 21.4538
k = 0.5000 0.2729-0.4458 ( 684 PWs) bands (ev):
-2.0898 -2.0898 0.3512 0.3512 5.0826 5.0826 5.3621 5.3621
6.5871 6.5871 10.4959 10.4959 19.1677 19.1677 20.9291 20.9291
21.3816 21.3816
k = 0.5000 0.2729-0.4458 ( 684 PWs) bands (ev):
-2.0898 -2.0898 0.3512 0.3512 5.0826 5.0826 5.3621 5.3621
6.5871 6.5871 10.4959 10.4959 19.1677 19.1677 20.9291 20.9291
21.3816 21.3816
k = 0.5059 0.2761-0.4372 ( 682 PWs) bands (ev):
-2.0898 -2.0898 0.3515 0.3515 5.0835 5.0835 5.3480 5.3480
6.6005 6.6005 10.5014 10.5014 19.1459 19.1459 20.9518 20.9518
21.3705 21.3705
k = 0.5118 0.2793-0.4286 ( 682 PWs) bands (ev):
-2.0896 -2.0896 0.3522 0.3522 5.0864 5.0864 5.3076 5.3076
6.6391 6.6391 10.5179 10.5179 19.0838 19.0838 21.0166 21.0166
21.3391 21.3391
k = 0.5177 0.2826-0.4200 ( 682 PWs) bands (ev):
-2.0894 -2.0894 0.3535 0.3535 5.0912 5.0912 5.2456 5.2456
6.6981 6.6981 10.5453 10.5453 18.9888 18.9888 21.1157 21.1157
21.2910 21.2910
k = 0.5236 0.2858-0.4114 ( 682 PWs) bands (ev):
-2.0892 -2.0892 0.3553 0.3553 5.0976 5.0976 5.1678 5.1678
6.7720 6.7720 10.5836 10.5836 18.8697 18.8697 21.2244 21.2244
21.2454 21.2454
k = 0.5295 0.2890-0.4028 ( 682 PWs) bands (ev):
-2.0891 -2.0891 0.3575 0.3575 5.0765 5.0765 5.1085 5.1085
6.8561 6.8561 10.6326 10.6326 18.7336 18.7336 21.1567 21.1567
21.3834 21.3834
k = 0.5354 0.2922-0.3942 ( 682 PWs) bands (ev):
-2.0891 -2.0891 0.3603 0.3603 4.9813 4.9813 5.1180 5.1180
6.9464 6.9464 10.6923 10.6923 18.5861 18.5861 21.0765 21.0765
21.5362 21.5362
k = 0.5413 0.2955-0.3856 ( 682 PWs) bands (ev):
-2.0893 -2.0893 0.3635 0.3635 4.8808 4.8808 5.1304 5.1304
7.0404 7.0404 10.7623 10.7623 18.4310 18.4310 20.9893 20.9893
21.6474 21.6474
k = 0.5472 0.2987-0.3770 ( 682 PWs) bands (ev):
-2.0899 -2.0899 0.3673 0.3673 4.7783 4.7783 5.1449 5.1449
7.1361 7.1361 10.8425 10.8425 18.2710 18.2710 20.8964 20.8964
21.6108 21.6108
k = 0.5531 0.3019-0.3684 ( 680 PWs) bands (ev):
-2.0911 -2.0911 0.3716 0.3716 4.6755 4.6755 5.1612 5.1612
7.2320 7.2320 10.9324 10.9324 18.1079 18.1079 20.7986 20.7986
21.5631 21.5631
k = 0.5591 0.3051-0.3598 ( 680 PWs) bands (ev):
-2.0930 -2.0930 0.3764 0.3764 4.5736 4.5736 5.1795 5.1795
7.3274 7.3274 11.0317 11.0317 17.9431 17.9431 20.6970 20.6970
21.5058 21.5058
k = 0.5650 0.3083-0.3512 ( 682 PWs) bands (ev):
-2.0958 -2.0958 0.3818 0.3818 4.4738 4.4738 5.1996 5.1996
7.4216 7.4216 11.1398 11.1398 17.7775 17.7775 20.5921 20.5921
21.4395 21.4395
k = 0.5709 0.3116-0.3426 ( 682 PWs) bands (ev):
-2.0997 -2.0997 0.3878 0.3878 4.3770 4.3770 5.2216 5.2216
7.5143 7.5143 11.2562 11.2562 17.6119 17.6119 20.4846 20.4846
21.3648 21.3648
k = 0.5768 0.3148-0.3340 ( 682 PWs) bands (ev):
-2.1050 -2.1050 0.3945 0.3945 4.2839 4.2839 5.2454 5.2454
7.6052 7.6052 11.3803 11.3803 17.4468 17.4468 20.3749 20.3749
21.2826 21.2826
k = 0.5827 0.3180-0.3254 ( 684 PWs) bands (ev):
-2.1118 -2.1118 0.4019 0.4019 4.1951 4.1951 5.2710 5.2710
7.6944 7.6944 11.5114 11.5114 17.2826 17.2826 20.2637 20.2637
21.1941 21.1941
k = 0.5886 0.3212-0.3168 ( 684 PWs) bands (ev):
-2.1206 -2.1206 0.4103 0.4103 4.1112 4.1112 5.2985 5.2985
7.7818 7.7818 11.6486 11.6486 17.1196 17.1196 20.1512 20.1512
21.1004 21.1004
k = 0.5945 0.3245-0.3082 ( 684 PWs) bands (ev):
-2.1314 -2.1314 0.4196 0.4196 4.0326 4.0326 5.3277 5.3277
7.8677 7.8677 11.7912 11.7912 16.9581 16.9581 20.0378 20.0378
21.0028 21.0028
k = 0.6004 0.3277-0.2996 ( 683 PWs) bands (ev):
-2.1447 -2.1447 0.4301 0.4301 3.9598 3.9598 5.3586 5.3586
7.9521 7.9521 11.9382 11.9382 16.7984 16.7984 19.9239 19.9239
20.9025 20.9025
k = 0.6063 0.3309-0.2910 ( 685 PWs) bands (ev):
-2.1606 -2.1606 0.4419 0.4419 3.8931 3.8931 5.3913 5.3913
8.0352 8.0352 12.0889 12.0889 16.6407 16.6407 19.8096 19.8096
20.8010 20.8010
k = 0.6122 0.3341-0.2824 ( 686 PWs) bands (ev):
-2.1795 -2.1795 0.4553 0.4553 3.8327 3.8327 5.4256 5.4256
8.1174 8.1174 12.2422 12.2422 16.4850 16.4850 19.6950 19.6950
20.6995 20.6995
k = 0.6181 0.3374-0.2739 ( 687 PWs) bands (ev):
-2.2016 -2.2016 0.4704 0.4704 3.7789 3.7789 5.4616 5.4616
8.1987 8.1987 12.3972 12.3972 16.3316 16.3316 19.5804 19.5804
20.5993 20.5993
k = 0.6240 0.3406-0.2653 ( 687 PWs) bands (ev):
-2.2271 -2.2271 0.4874 0.4874 3.7319 3.7319 5.4992 5.4992
8.2795 8.2795 12.5527 12.5527 16.1805 16.1805 19.4656 19.4656
20.5018 20.5018
k = 0.6299 0.3438-0.2567 ( 687 PWs) bands (ev):
-2.2563 -2.2563 0.5068 0.5068 3.6917 3.6917 5.5384 5.5384
8.3599 8.3599 12.7078 12.7078 16.0319 16.0319 19.3508 19.3508
20.4080 20.4080
k = 0.6299 0.3438-0.2567 ( 687 PWs) bands (ev):
-2.2563 -2.2563 0.5068 0.5068 3.6917 3.6917 5.5384 5.5384
8.3599 8.3599 12.7078 12.7078 16.0319 16.0319 19.3508 19.3508
20.4080 20.4080
k = 0.6268 0.3421-0.2460 ( 687 PWs) bands (ev):
-2.3178 -2.3178 0.6190 0.6190 3.5957 3.5957 5.5671 5.5671
8.4169 8.4169 12.8156 12.8156 15.9338 15.9338 19.2789 19.2789
20.2567 20.2567
k = 0.6237 0.3404-0.2354 ( 687 PWs) bands (ev):
-2.3836 -2.3836 0.7374 0.7374 3.5047 3.5047 5.5979 5.5979
8.4754 8.4754 12.9246 12.9246 15.8308 15.8308 19.1807 19.1807
20.1306 20.1306
k = 0.6206 0.3387-0.2248 ( 688 PWs) bands (ev):
-2.4524 -2.4524 0.8600 0.8600 3.4193 3.4193 5.6308 5.6308
8.5353 8.5353 13.0345 13.0345 15.7232 15.7232 19.0551 19.0551
20.0308 20.0308
k = 0.6175 0.3370-0.2142 ( 686 PWs) bands (ev):
-2.5232 -2.5232 0.9850 0.9850 3.3405 3.3405 5.6659 5.6659
8.5968 8.5968 13.1448 13.1448 15.6109 15.6109 18.9052 18.9052
19.9539 19.9539
k = 0.6145 0.3354-0.2036 ( 686 PWs) bands (ev):
-2.5954 -2.5954 1.1103 1.1103 3.2695 3.2695 5.7030 5.7030
8.6598 8.6598 13.2550 13.2550 15.4941 15.4941 18.7371 18.7371
19.8938 19.8938
k = 0.6114 0.3337-0.1930 ( 686 PWs) bands (ev):
-2.6682 -2.6682 1.2336 1.2336 3.2079 3.2079 5.7422 5.7422
8.7244 8.7244 13.3646 13.3646 15.3731 15.3731 18.5568 18.5568
19.8445 19.8445
k = 0.6083 0.3320-0.1824 ( 686 PWs) bands (ev):
-2.7412 -2.7412 1.3522 1.3522 3.1581 3.1581 5.7834 5.7834
8.7907 8.7907 13.4728 13.4728 15.2481 15.2481 18.3689 18.3689
19.8010 19.8010
k = 0.6052 0.3303-0.1717 ( 686 PWs) bands (ev):
-2.8139 -2.8139 1.4628 1.4628 3.1227 3.1227 5.8266 5.8266
8.8587 8.8587 13.5788 13.5788 15.1193 15.1193 18.1772 18.1772
19.7597 19.7597
k = 0.6021 0.3286-0.1611 ( 686 PWs) bands (ev):
-2.8861 -2.8861 1.5615 1.5615 3.1054 3.1054 5.8717 5.8717
8.9283 8.9283 13.6818 13.6818 14.9873 14.9873 17.9842 17.9842
19.7182 19.7182
k = 0.5990 0.3269-0.1505 ( 684 PWs) bands (ev):
-2.9573 -2.9573 1.6443 1.6443 3.1099 3.1099 5.9187 5.9187
8.9997 8.9997 13.7807 13.7807 14.8523 14.8523 17.7921 17.7921
19.6749 19.6749
k = 0.5959 0.3252-0.1399 ( 682 PWs) bands (ev):
-3.0274 -3.0274 1.7077 1.7077 3.1393 3.1393 5.9676 5.9676
9.0728 9.0728 13.8740 13.8740 14.7148 14.7148 17.6026 17.6026
19.6285 19.6285
k = 0.5928 0.3235-0.1293 ( 680 PWs) bands (ev):
-3.0963 -3.0963 1.7499 1.7499 3.1952 3.1952 6.0182 6.0182
9.1476 9.1476 13.9603 13.9603 14.5752 14.5752 17.4174 17.4174
19.5785 19.5785
k = 0.5897 0.3219-0.1187 ( 680 PWs) bands (ev):
-3.1637 -3.1637 1.7714 1.7714 3.2768 3.2768 6.0706 6.0706
9.2241 9.2241 14.0374 14.0374 14.4339 14.4339 17.2382 17.2382
19.5247 19.5247
k = 0.5866 0.3202-0.1081 ( 681 PWs) bands (ev):
-3.2294 -3.2294 1.7749 1.7749 3.3813 3.3813 6.1247 6.1247
9.3023 9.3023 14.1030 14.1030 14.2916 14.2916 17.0668 17.0668
19.4675 19.4675
k = 0.5835 0.3185-0.0974 ( 681 PWs) bands (ev):
-3.2934 -3.2934 1.7639 1.7639 3.5050 3.5050 6.1803 6.1803
9.3821 9.3821 14.1358 14.1358 14.1675 14.1675 16.9052 16.9052
19.4073 19.4073
k = 0.5804 0.3168-0.0868 ( 675 PWs) bands (ev):
-3.3556 -3.3556 1.7420 1.7420 3.6441 3.6441 6.2375 6.2375
9.4637 9.4637 14.0011 14.0011 14.1936 14.1936 16.7553 16.7553
19.3454 19.3454
k = 0.5773 0.3151-0.0762 ( 672 PWs) bands (ev):
-3.4159 -3.4159 1.7125 1.7125 3.7950 3.7950 6.2961 6.2961
9.5468 9.5468 13.8572 13.8572 14.2093 14.2093 16.6191 16.6191
19.2830 19.2830
k = 0.5742 0.3134-0.0656 ( 672 PWs) bands (ev):
-3.4742 -3.4742 1.6778 1.6778 3.9553 3.9553 6.3560 6.3560
9.6314 9.6314 13.7131 13.7131 14.2033 14.2033 16.4979 16.4979
19.2221 19.2221
k = 0.5711 0.3117-0.0550 ( 672 PWs) bands (ev):
-3.5305 -3.5305 1.6397 1.6397 4.1229 4.1229 6.4171 6.4171
9.7176 9.7176 13.5696 13.5696 14.1734 14.1734 16.3923 16.3923
19.1647 19.1647
k = 0.5681 0.3100-0.0444 ( 670 PWs) bands (ev):
-3.5846 -3.5846 1.5997 1.5997 4.2960 4.2960 6.4792 6.4792
9.8050 9.8050 13.4270 13.4270 14.1188 14.1188 16.3016 16.3016
19.1130 19.1130
k = 0.5650 0.3083-0.0338 ( 671 PWs) bands (ev):
-3.6366 -3.6366 1.5588 1.5588 4.4735 4.4735 6.5423 6.5423
9.8938 9.8938 13.2858 13.2858 14.0405 14.0405 16.2233 16.2233
19.0695 19.0695
k = 0.5619 0.3067-0.0232 ( 671 PWs) bands (ev):
-3.6863 -3.6863 1.5178 1.5178 4.6544 4.6544 6.6061 6.6061
9.9837 9.9837 13.1463 13.1463 13.9405 13.9405 16.1544 16.1544
19.0364 19.0364
k = 0.5588 0.3050-0.0125 ( 671 PWs) bands (ev):
-3.7338 -3.7338 1.4772 1.4772 4.8378 4.8378 6.6706 6.6706
10.0746 10.0746 13.0089 13.0089 13.8216 13.8216 16.0906 16.0906
19.0159 19.0159
k = 0.5557 0.3033-0.0019 ( 671 PWs) bands (ev):
-3.7791 -3.7791 1.4374 1.4374 5.0230 5.0230 6.7354 6.7354
10.1662 10.1662 12.8740 12.8740 13.6872 13.6872 16.0283 16.0283
19.0096 19.0096
k = 0.5526 0.3016 0.0087 ( 669 PWs) bands (ev):
-3.8220 -3.8220 1.3989 1.3989 5.2094 5.2094 6.8003 6.8003
10.2585 10.2585 12.7419 12.7419 13.5406 13.5406 15.9642 15.9642
19.0187 19.0187
k = 0.5495 0.2999 0.0193 ( 669 PWs) bands (ev):
-3.8626 -3.8626 1.3618 1.3618 5.3961 5.3961 6.8652 6.8652
10.3510 10.3510 12.6132 12.6132 13.3846 13.3846 15.8961 15.8961
19.0437 19.0437
k = 0.5464 0.2982 0.0299 ( 671 PWs) bands (ev):
-3.9008 -3.9008 1.3264 1.3264 5.5828 5.5828 6.9296 6.9296
10.4436 10.4436 12.4881 12.4881 13.2218 13.2218 15.8227 15.8227
19.0846 19.0846
k = 0.5433 0.2965 0.0405 ( 673 PWs) bands (ev):
-3.9367 -3.9367 1.2928 1.2928 5.7685 5.7685 6.9934 6.9934
10.5358 10.5358 12.3672 12.3672 13.0545 13.0545 15.7437 15.7437
19.1406 19.1406
k = 0.5402 0.2948 0.0511 ( 670 PWs) bands (ev):
-3.9701 -3.9701 1.2611 1.2611 5.9526 5.9526 7.0560 7.0560
10.6272 10.6272 12.2509 12.2509 12.8847 12.8847 15.6596 15.6596
19.2109 19.2109
k = 0.5371 0.2932 0.0618 ( 670 PWs) bands (ev):
-4.0011 -4.0011 1.2316 1.2316 6.1343 6.1343 7.1173 7.1173
10.7174 10.7174 12.1397 12.1397 12.7141 12.7141 15.5714 15.5714
19.2941 19.2941
k = 0.5340 0.2915 0.0724 ( 668 PWs) bands (ev):
-4.0297 -4.0297 1.2041 1.2041 6.3126 6.3126 7.1766 7.1766
10.8056 10.8056 12.0341 12.0341 12.5444 12.5444 15.4806 15.4806
19.3888 19.3888
k = 0.5309 0.2898 0.0830 ( 668 PWs) bands (ev):
-4.0559 -4.0559 1.1789 1.1789 6.4863 6.4863 7.2335 7.2335
10.8914 10.8914 11.9347 11.9347 12.3774 12.3774 15.3887 15.3887
19.4937 19.4937
k = 0.5278 0.2881 0.0936 ( 668 PWs) bands (ev):
-4.0796 -4.0796 1.1559 1.1559 6.6541 6.6541 7.2876 7.2876
10.9738 10.9738 11.8420 11.8420 12.2147 12.2147 15.2976 15.2976
19.6075 19.6075
k = 0.5247 0.2864 0.1042 ( 668 PWs) bands (ev):
-4.1008 -4.1008 1.1353 1.1353 6.8144 6.8144 7.3383 7.3383
11.0519 11.0519 11.7567 11.7567 12.0584 12.0584 15.2090 15.2090
19.7289 19.7289
k = 0.5217 0.2847 0.1148 ( 667 PWs) bands (ev):
-4.1196 -4.1196 1.1170 1.1170 6.9654 6.9654 7.3851 7.3851
11.1248 11.1248 11.6794 11.6794 11.9106 11.9106 15.1248 15.1248
19.8567 19.8567
k = 0.5186 0.2830 0.1254 ( 667 PWs) bands (ev):
-4.1358 -4.1358 1.1011 1.1011 7.1048 7.1048 7.4274 7.4274
11.1912 11.1912 11.6108 11.6108 11.7738 11.7738 15.0469 15.0469
19.9899 19.9899
k = 0.5155 0.2813 0.1361 ( 665 PWs) bands (ev):
-4.1496 -4.1496 1.0876 1.0876 7.2298 7.2298 7.4647 7.4647
11.2496 11.2496 11.5512 11.5512 11.6511 11.6511 14.9770 14.9770
20.1274 20.1274
k = 0.5124 0.2796 0.1467 ( 661 PWs) bands (ev):
-4.1609 -4.1609 1.0765 1.0765 7.3375 7.3375 7.4968 7.4968
11.2985 11.2985 11.5006 11.5006 11.5465 11.5465 14.9170 14.9170
20.2680 20.2680
k = 0.5093 0.2780 0.1573 ( 661 PWs) bands (ev):
-4.1697 -4.1697 1.0679 1.0679 7.4242 7.4242 7.5239 7.5239
11.3343 11.3343 11.4516 11.4516 11.4735 11.4735 14.8684 14.8684
20.4102 20.4102
k = 0.5062 0.2763 0.1679 ( 652 PWs) bands (ev):
-4.1759 -4.1759 1.0617 1.0617 7.4853 7.4853 7.5470 7.5470
11.3463 11.3463 11.4070 11.4070 11.4424 11.4424 14.8325 14.8325
20.5507 20.5507
k = 0.5031 0.2746 0.1785 ( 652 PWs) bands (ev):
-4.1797 -4.1797 1.0580 1.0580 7.5178 7.5178 7.5662 7.5662
11.3284 11.3284 11.3979 11.3979 11.4302 11.4302 14.8106 14.8106
20.6796 20.6796
k = 0.5000 0.2729 0.1891 ( 652 PWs) bands (ev):
-4.1809 -4.1809 1.0567 1.0567 7.5270 7.5270 7.5746 7.5746
11.3181 11.3181 11.3967 11.3967 11.4284 11.4284 14.8032 14.8032
20.7481 20.7481
k = 0.5000-0.3216-0.2229 ( 688 PWs) bands (ev):
-2.5895 -2.5895 -1.0684 -1.0684 6.5188 6.5188 8.2724 8.2724
11.3530 11.3530 11.7506 11.7506 12.6297 12.6297 13.1349 13.1349
20.8614 20.8614
k = 0.5068-0.3144-0.2179 ( 688 PWs) bands (ev):
-2.5889 -2.5889 -1.0673 -1.0673 6.5173 6.5173 8.2605 8.2605
11.3213 11.3213 11.7781 11.7781 12.6489 12.6489 13.1381 13.1381
20.8369 20.8369
k = 0.5137-0.3072-0.2129 ( 688 PWs) bands (ev):
-2.5868 -2.5868 -1.0638 -1.0638 6.5131 6.5131 8.2253 8.2253
11.2444 11.2444 11.8430 11.8430 12.7053 12.7053 13.1479 13.1479
20.7692 20.7692
k = 0.5205-0.3001-0.2080 ( 685 PWs) bands (ev):
-2.5834 -2.5834 -1.0581 -1.0581 6.5061 6.5061 8.1680 8.1680
11.1467 11.1467 11.9227 11.9227 12.7958 12.7958 13.1641 13.1641
20.6705 20.6705
k = 0.5274-0.2929-0.2030 ( 684 PWs) bands (ev):
-2.5787 -2.5787 -1.0501 -1.0501 6.4963 6.4963 8.0905 8.0905
11.0404 11.0404 12.0074 12.0074 12.9161 12.9161 13.1866 13.1866
20.5523 20.5523
k = 0.5342-0.2857-0.1980 ( 682 PWs) bands (ev):
-2.5727 -2.5727 -1.0398 -1.0398 6.4839 6.4839 7.9950 7.9950
10.9308 10.9308 12.0942 12.0942 13.0612 13.0612 13.2155 13.2155
20.4226 20.4226
k = 0.5410-0.2785-0.1930 ( 684 PWs) bands (ev):
-2.5654 -2.5654 -1.0272 -1.0272 6.4690 6.4690 7.8841 7.8841
10.8205 10.8205 12.1825 12.1825 13.2258 13.2258 13.2514 13.2514
20.2865 20.2865
k = 0.5479-0.2713-0.1881 ( 682 PWs) bands (ev):
-2.5569 -2.5569 -1.0124 -1.0124 6.4516 6.4516 7.7601 7.7601
10.7109 10.7109 12.2721 12.2721 13.2910 13.2910 13.4093 13.4093
20.1474 20.1474
k = 0.5547-0.2642-0.1831 ( 680 PWs) bands (ev):
-2.5471 -2.5471 -0.9952 -0.9952 6.4319 6.4319 7.6253 7.6253
10.6025 10.6025 12.3628 12.3628 13.3378 13.3378 13.6050 13.6050
20.0076 20.0076
k = 0.5615-0.2570-0.1781 ( 679 PWs) bands (ev):
-2.5362 -2.5362 -0.9758 -0.9758 6.4100 6.4100 7.4818 7.4818
10.4959 10.4959 12.4539 12.4539 13.3901 13.3901 13.8122 13.8122
19.8689 19.8689
k = 0.5684-0.2498-0.1731 ( 681 PWs) bands (ev):
-2.5242 -2.5242 -0.9542 -0.9542 6.3862 6.3862 7.3315 7.3315
10.3912 10.3912 12.5450 12.5450 13.4478 13.4478 14.0290 14.0290
19.7325 19.7325
k = 0.5752-0.2426-0.1681 ( 683 PWs) bands (ev):
-2.5111 -2.5111 -0.9303 -0.9303 6.3605 6.3605 7.1759 7.1759
10.2886 10.2886 12.6352 12.6352 13.5107 13.5107 14.2540 14.2540
19.5996 19.5996
k = 0.5821-0.2354-0.1632 ( 683 PWs) bands (ev):
-2.4971 -2.4971 -0.9041 -0.9041 6.3332 6.3332 7.0163 7.0163
10.1881 10.1881 12.7239 12.7239 13.5784 13.5784 14.4862 14.4862
19.4712 19.4712
k = 0.5889-0.2283-0.1582 ( 683 PWs) bands (ev):
-2.4821 -2.4821 -0.8757 -0.8757 6.3043 6.3043 6.8541 6.8541
10.0897 10.0897 12.8102 12.8102 13.6507 13.6507 14.7247 14.7247
19.3482 19.3482
k = 0.5957-0.2211-0.1532 ( 685 PWs) bands (ev):
-2.4663 -2.4663 -0.8451 -0.8451 6.2742 6.2742 6.6902 6.6902
9.9935 9.9935 12.8933 12.8933 13.7274 13.7274 14.9686 14.9686
19.2314 19.2314
k = 0.6026-0.2139-0.1482 ( 683 PWs) bands (ev):
-2.4499 -2.4499 -0.8123 -0.8123 6.2429 6.2429 6.5255 6.5255
9.8996 9.8996 12.9723 12.9723 13.8082 13.8082 15.2174 15.2174
19.1218 19.1218
k = 0.6094-0.2067-0.1433 ( 687 PWs) bands (ev):
-2.4328 -2.4328 -0.7773 -0.7773 6.2106 6.2106 6.3608 6.3608
9.8078 9.8078 13.0466 13.0466 13.8927 13.8927 15.4704 15.4704
19.0201 19.0201
k = 0.6162-0.1995-0.1383 ( 689 PWs) bands (ev):
-2.4152 -2.4152 -0.7401 -0.7401 6.1765 6.1765 6.1976 6.1976
9.7182 9.7182 13.1151 13.1151 13.9807 13.9807 15.7272 15.7272
18.9273 18.9273
k = 0.6231-0.1923-0.1333 ( 689 PWs) bands (ev):
-2.3972 -2.3972 -0.7008 -0.7008 6.0334 6.0334 6.1442 6.1442
9.6309 9.6309 13.1772 13.1772 14.0719 14.0719 15.9874 15.9874
18.8440 18.8440
k = 0.6299-0.1852-0.1283 ( 689 PWs) bands (ev):
-2.3790 -2.3790 -0.6593 -0.6593 5.8724 5.8724 6.1100 6.1100
9.5457 9.5457 13.2320 13.2320 14.1659 14.1659 16.2506 16.2506
18.7711 18.7711
k = 0.6368-0.1780-0.1234 ( 689 PWs) bands (ev):
-2.3607 -2.3607 -0.6156 -0.6156 5.7136 5.7136 6.0755 6.0755
9.4628 9.4628 13.2788 13.2788 14.2624 14.2624 16.5163 16.5163
18.7092 18.7092
k = 0.6436-0.1708-0.1184 ( 689 PWs) bands (ev):
-2.3425 -2.3425 -0.5698 -0.5698 5.5576 5.5576 6.0408 6.0408
9.3821 9.3821 13.3171 13.3171 14.3611 14.3611 16.7843 16.7843
18.6589 18.6589
k = 0.6504-0.1636-0.1134 ( 685 PWs) bands (ev):
-2.3246 -2.3246 -0.5220 -0.5220 5.4047 5.4047 6.0062 6.0062
9.3036 9.3036 13.3463 13.3463 14.4617 14.4617 17.0541 17.0541
18.6208 18.6208
k = 0.6573-0.1564-0.1084 ( 685 PWs) bands (ev):
-2.3070 -2.3070 -0.4721 -0.4721 5.2554 5.2554 5.9716 5.9716
9.2274 9.2274 13.3659 13.3659 14.5638 14.5638 17.3256 17.3256
18.5950 18.5950
k = 0.6641-0.1493-0.1034 ( 683 PWs) bands (ev):
-2.2902 -2.2902 -0.4201 -0.4201 5.1102 5.1102 5.9373 5.9373
9.1535 9.1535 13.3759 13.3759 14.6670 14.6670 17.5984 17.5984
18.5817 18.5817
k = 0.6709-0.1421-0.0985 ( 681 PWs) bands (ev):
-2.2742 -2.2742 -0.3660 -0.3660 4.9692 4.9692 5.9034 5.9034
9.0818 9.0818 13.3761 13.3761 14.7710 14.7710 17.8720 17.8720
18.5809 18.5809
k = 0.6778-0.1349-0.0935 ( 681 PWs) bands (ev):
-2.2593 -2.2593 -0.3100 -0.3100 4.8330 4.8330 5.8699 5.8699
9.0124 9.0124 13.3667 13.3667 14.8754 14.8754 18.1461 18.1461
18.5925 18.5925
k = 0.6846-0.1277-0.0885 ( 677 PWs) bands (ev):
-2.2457 -2.2457 -0.2520 -0.2520 4.7019 4.7019 5.8370 5.8370
8.9452 8.9452 13.3479 13.3479 14.9799 14.9799 18.4194 18.4194
18.6168 18.6168
k = 0.6915-0.1205-0.0835 ( 677 PWs) bands (ev):
-2.2337 -2.2337 -0.1921 -0.1921 4.5763 4.5763 5.8048 5.8048
8.8804 8.8804 13.3203 13.3203 15.0840 15.0840 18.6393 18.6393
18.7056 18.7056
k = 0.6983-0.1134-0.0786 ( 677 PWs) bands (ev):
-2.2235 -2.2235 -0.1302 -0.1302 4.4564 4.4564 5.7734 5.7734
8.8178 8.8178 13.2843 13.2843 15.1875 15.1875 18.6903 18.6903
18.9731 18.9731
k = 0.7051-0.1062-0.0736 ( 677 PWs) bands (ev):
-2.2154 -2.2154 -0.0664 -0.0664 4.3427 4.3427 5.7428 5.7428
8.7575 8.7575 13.2407 13.2407 15.2900 15.2900 18.7444 18.7444
19.2460 19.2460
k = 0.7120-0.0990-0.0686 ( 676 PWs) bands (ev):
-2.2096 -2.2096 -0.0008 -0.0008 4.2355 4.2355 5.7132 5.7132
8.6996 8.6996 13.1903 13.1903 15.3910 15.3910 18.8061 18.8061
19.5181 19.5181
k = 0.7188-0.0918-0.0636 ( 678 PWs) bands (ev):
-2.2065 -2.2065 0.0666 0.0666 4.1351 4.1351 5.6846 5.6846
8.6440 8.6440 13.1337 13.1337 15.4903 15.4903 18.8746 18.8746
19.7883 19.7883
k = 0.7257-0.0846-0.0586 ( 680 PWs) bands (ev):
-2.2063 -2.2063 0.1358 0.1358 4.0418 4.0418 5.6571 5.6571
8.5907 8.5907 13.0717 13.0717 15.5875 15.5875 18.9486 18.9486
20.0552 20.0552
k = 0.7325-0.0774-0.0537 ( 680 PWs) bands (ev):
-2.2092 -2.2092 0.2067 0.2067 3.9560 3.9560 5.6308 5.6308
8.5398 8.5398 13.0052 13.0052 15.6822 15.6822 19.0270 19.0270
20.3142 20.3142
k = 0.7393-0.0703-0.0487 ( 682 PWs) bands (ev):
-2.2154 -2.2154 0.2793 0.2793 3.8778 3.8778 5.6057 5.6057
8.4913 8.4913 12.9349 12.9349 15.7743 15.7743 19.1080 19.1080
20.5115 20.5115
k = 0.7462-0.0631-0.0437 ( 685 PWs) bands (ev):
-2.2252 -2.2252 0.3535 0.3535 3.8075 3.8075 5.5819 5.5819
8.4451 8.4451 12.8614 12.8614 15.8634 15.8634 19.1903 19.1903
20.5042 20.5042
k = 0.7530-0.0559-0.0387 ( 687 PWs) bands (ev):
-2.2388 -2.2388 0.4294 0.4294 3.7454 3.7454 5.5595 5.5595
8.4013 8.4013 12.7855 12.7855 15.9494 15.9494 19.2719 19.2719
20.4563 20.4563
k = 0.7598-0.0487-0.0338 ( 687 PWs) bands (ev):
-2.2563 -2.2563 0.5068 0.5068 3.6917 3.6917 5.5384 5.5384
8.3599 8.3599 12.7078 12.7078 16.0319 16.0319 19.3508 19.3508
20.4080 20.4080
Writing output data file P.save
init_run : 0.08s CPU 4.06s WALL ( 1 calls)
electrons : 29.83s CPU 30.88s WALL ( 1 calls)
Called by init_run:
wfcinit : 0.00s CPU 0.01s WALL ( 1 calls)
potinit : 0.00s CPU 0.03s WALL ( 1 calls)
Called by electrons:
c_bands : 29.82s CPU 30.87s WALL ( 1 calls)
v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls)
v_h : 0.00s CPU 0.00s WALL ( 1 calls)
v_xc : 0.00s CPU 0.00s WALL ( 1 calls)
newd : 0.02s CPU 0.02s WALL ( 1 calls)
Called by c_bands:
init_us_2 : 0.01s CPU 0.01s WALL ( 410 calls)
cegterg : 27.27s CPU 28.01s WALL ( 501 calls)
Called by sum_band:
Called by *egterg:
h_psi : 11.05s CPU 11.48s WALL ( 8019 calls)
s_psi : 0.72s CPU 0.68s WALL ( 8019 calls)
g_psi : 0.01s CPU 0.02s WALL ( 7108 calls)
cdiaghg : 14.57s CPU 15.01s WALL ( 7518 calls)
cegterg:over : 0.66s CPU 0.77s WALL ( 7108 calls)
cegterg:upda : 0.58s CPU 0.60s WALL ( 7108 calls)
cegterg:last : 0.32s CPU 0.31s WALL ( 1335 calls)
cdiaghg:chol : 0.78s CPU 0.82s WALL ( 7518 calls)
cdiaghg:inve : 0.15s CPU 0.18s WALL ( 7518 calls)
cdiaghg:para : 1.09s CPU 1.10s WALL ( 15036 calls)
Called by h_psi:
h_psi:vloc : 9.57s CPU 9.91s WALL ( 8019 calls)
h_psi:vnl : 1.45s CPU 1.54s WALL ( 8019 calls)
add_vuspsi : 0.78s CPU 0.88s WALL ( 8019 calls)
General routines
calbec : 0.66s CPU 0.64s WALL ( 8019 calls)
fft : 0.00s CPU 0.00s WALL ( 19 calls)
ffts : 0.00s CPU 0.00s WALL ( 4 calls)
fftw : 9.20s CPU 9.45s WALL ( 311944 calls)
interpolate : 0.00s CPU 0.00s WALL ( 4 calls)
davcio : 0.05s CPU 0.15s WALL ( 820 calls)
Parallel routines
fft_scatter : 5.11s CPU 5.36s WALL ( 311967 calls)
PWSCF : 0m35.78s CPU 1m 4.40s WALL
This run was terminated on: 21: 3:34 5Jan2017
=------------------------------------------------------------------------------=
JOB DONE.
=------------------------------------------------------------------------------=