Program PWSCF v.5.4.0 starts on 11Feb2017 at 5:58:16
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 & OpenMP), running on 72 processor cores
Number of MPI processes: 36
Threads/MPI process: 2
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:
./Li2AlRh.save/
file Rh.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 5S renormalized
Subspace diagonalization in iterative solution of the eigenvalue problem:
one sub-group per band group 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 50 50 14 1429 1429 214
Max 51 51 15 1434 1434 217
Sum 1813 1813 511 51493 51493 7727
bravais-lattice index = 14
lattice parameter (alat) = 8.0321 a.u.
unit-cell volume = 366.4179 (a.u.)^3
number of atoms/cell = 4
number of atomic types = 3
number of electrons = 26.00
number of Kohn-Sham states= 34
kinetic-energy cutoff = 103.0000 Ry
charge density cutoff = 412.0000 Ry
Exchange-correlation = PBE ( 1 4 3 4 0 0)
Non magnetic calculation with spin-orbit
celldm(1)= 8.032127 celldm(2)= 1.000000 celldm(3)= 1.000000
celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000
crystal axes: (cart. coord. in units of alat)
a(1) = ( 1.000000 0.000000 0.000000 )
a(2) = ( 0.500000 0.866025 0.000000 )
a(3) = ( 0.500000 0.288675 0.816497 )
reciprocal axes: (cart. coord. in units 2 pi/alat)
b(1) = ( 1.000000 -0.577350 -0.408248 )
b(2) = ( 0.000000 1.154701 -0.408248 )
b(3) = ( 0.000000 0.000000 1.224745 )
PseudoPot. # 1 for Li read from file:
/users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF
MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0
Pseudo is Ultrasoft, Zval = 3.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1017 points, 6 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 1
l(6) = 1
Q(r) pseudized with 0 coefficients
PseudoPot. # 2 for Rh read from file:
/users/gautes/Pseudo/Rh.rel-pbe-spn-rrkjus_psl.1.0.0.UPF
MD5 check sum: 05b2c48bcc7a2cf2a48258d60087199c
Pseudo is Ultrasoft + core correction, Zval = 17.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1233 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
PseudoPot. # 3 for Al read from file:
/users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF
MD5 check sum: d344aa71f13a435d235890da883ec65e
Pseudo is Ultrasoft + core correction, Zval = 3.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1135 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
Li 3.00 6.94100 Li( 1.00)
Rh 17.00 102.90550 Rh( 1.00)
Al 3.00 26.98150 Al( 1.00)
6 Sym. Ops. (no 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 = 2 120 deg rotation - cryst. axis [0,0,1]
cryst. s( 2) = ( -1 1 0 )
( -1 0 0 )
( -1 0 1 )
cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 )
( 0.8660254 -0.5000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 3 120 deg rotation - cryst. axis [0,0,-1]
cryst. s( 3) = ( 0 -1 0 )
( 1 -1 0 )
( 0 -1 1 )
cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 )
( -0.8660254 -0.5000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 4 inv. 180 deg rotation - cart. axis [1,0,0]
cryst. s( 4) = ( -1 0 0 )
( -1 1 0 )
( -1 0 1 )
cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0]
cryst. s( 5) = ( 0 1 0 )
( 1 0 0 )
( 0 0 1 )
cart. s( 5) = ( 0.5000000 0.8660254 0.0000000 )
( 0.8660254 -0.5000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0]
cryst. s( 6) = ( 1 -1 0 )
( 0 -1 0 )
( 0 -1 1 )
cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 )
( -0.8660254 -0.5000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
double point group C_3v (3m)
there are 6 classes and 3 irreducible representations
the character table:
E -E 2C3 -2C3 3s_v -3s_v
G_4 2.00 -2.00 1.00 -1.00 0.00 0.00
G_5 1.00 -1.00 -1.00 1.00 0.00 0.00
G_6 1.00 -1.00 -1.00 1.00 0.00 0.00
imaginary part
E -E 2C3 -2C3 3s_v -3s_v
G_4 0.00 0.00 0.00 0.00 0.00 0.00
G_5 0.00 0.00 0.00 0.00 1.00 -1.00
G_6 0.00 0.00 0.00 0.00 -1.00 1.00
the symmetry operations in each class and the name of the first element:
E 1
identity
-E -1
identity E
2C3 2 3
120 deg rotation - cryst. axis [0,0,1]
-2C3 -2 -3
120 deg rotation - cryst. axis [0,0,1] E
3s_v 4 5 -6
inv. 180 deg rotation - cart. axis [1,0,0]
3s_v 6 -4 -5
inv. 180 deg rotation - cryst. axis [1,1,0]
Cartesian axes
number of k points= 352 Fermi-Dirac smearing, width (Ry)= 0.0010
cart. coord. in units 2pi/alat
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409
k( 2) = ( 0.0094340 -0.0054467 0.0077028), wk = 0.0028409
k( 3) = ( 0.0188679 -0.0108934 0.0154056), wk = 0.0028409
k( 4) = ( 0.0283019 -0.0163401 0.0231084), wk = 0.0028409
k( 5) = ( 0.0377359 -0.0217868 0.0308112), wk = 0.0028409
k( 6) = ( 0.0471698 -0.0272335 0.0385140), wk = 0.0028409
k( 7) = ( 0.0566038 -0.0326802 0.0462168), wk = 0.0028409
k( 8) = ( 0.0660377 -0.0381269 0.0539196), wk = 0.0028409
k( 9) = ( 0.0754717 -0.0435736 0.0616224), wk = 0.0028409
k( 10) = ( 0.0849057 -0.0490203 0.0693252), wk = 0.0028409
k( 11) = ( 0.0943396 -0.0544670 0.0770280), wk = 0.0028409
k( 12) = ( 0.1037736 -0.0599137 0.0847308), wk = 0.0028409
k( 13) = ( 0.1132076 -0.0653604 0.0924336), wk = 0.0028409
k( 14) = ( 0.1226415 -0.0708071 0.1001364), wk = 0.0028409
k( 15) = ( 0.1320755 -0.0762538 0.1078392), wk = 0.0028409
k( 16) = ( 0.1415094 -0.0817005 0.1155420), wk = 0.0028409
k( 17) = ( 0.1509434 -0.0871472 0.1232448), wk = 0.0028409
k( 18) = ( 0.1603774 -0.0925939 0.1309476), wk = 0.0028409
k( 19) = ( 0.1698113 -0.0980406 0.1386504), wk = 0.0028409
k( 20) = ( 0.1792453 -0.1034873 0.1463532), wk = 0.0028409
k( 21) = ( 0.1886792 -0.1089340 0.1540560), wk = 0.0028409
k( 22) = ( 0.1981132 -0.1143807 0.1617588), wk = 0.0028409
k( 23) = ( 0.2075472 -0.1198274 0.1694616), wk = 0.0028409
k( 24) = ( 0.2169811 -0.1252741 0.1771644), wk = 0.0028409
k( 25) = ( 0.2264151 -0.1307208 0.1848671), wk = 0.0028409
k( 26) = ( 0.2358491 -0.1361675 0.1925700), wk = 0.0028409
k( 27) = ( 0.2452830 -0.1416142 0.2002727), wk = 0.0028409
k( 28) = ( 0.2547170 -0.1470609 0.2079755), wk = 0.0028409
k( 29) = ( 0.2641509 -0.1525076 0.2156783), wk = 0.0028409
k( 30) = ( 0.2735849 -0.1579543 0.2233811), wk = 0.0028409
k( 31) = ( 0.2830189 -0.1634010 0.2310839), wk = 0.0028409
k( 32) = ( 0.2924528 -0.1688477 0.2387867), wk = 0.0028409
k( 33) = ( 0.3018868 -0.1742944 0.2464895), wk = 0.0028409
k( 34) = ( 0.3113207 -0.1797411 0.2541923), wk = 0.0028409
k( 35) = ( 0.3207547 -0.1851878 0.2618951), wk = 0.0028409
k( 36) = ( 0.3301887 -0.1906345 0.2695979), wk = 0.0028409
k( 37) = ( 0.3396226 -0.1960812 0.2773007), wk = 0.0028409
k( 38) = ( 0.3490566 -0.2015279 0.2850035), wk = 0.0028409
k( 39) = ( 0.3584906 -0.2069746 0.2927063), wk = 0.0028409
k( 40) = ( 0.3679245 -0.2124213 0.3004091), wk = 0.0028409
k( 41) = ( 0.3773585 -0.2178680 0.3081119), wk = 0.0028409
k( 42) = ( 0.3867925 -0.2233147 0.3158147), wk = 0.0028409
k( 43) = ( 0.3962264 -0.2287614 0.3235175), wk = 0.0028409
k( 44) = ( 0.4056604 -0.2342081 0.3312203), wk = 0.0028409
k( 45) = ( 0.4150943 -0.2396548 0.3389231), wk = 0.0028409
k( 46) = ( 0.4245283 -0.2451015 0.3466259), wk = 0.0028409
k( 47) = ( 0.4339623 -0.2505482 0.3543287), wk = 0.0028409
k( 48) = ( 0.4433962 -0.2559949 0.3620315), wk = 0.0028409
k( 49) = ( 0.4528302 -0.2614416 0.3697343), wk = 0.0028409
k( 50) = ( 0.4622641 -0.2668883 0.3774371), wk = 0.0028409
k( 51) = ( 0.4716981 -0.2723350 0.3851399), wk = 0.0028409
k( 52) = ( 0.4811321 -0.2777817 0.3928427), wk = 0.0028409
k( 53) = ( 0.4905660 -0.2832284 0.4005455), wk = 0.0028409
k( 54) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028409
k( 55) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028409
k( 56) = ( 0.5000000 -0.2779835 0.4158084), wk = 0.0028409
k( 57) = ( 0.5000000 -0.2672918 0.4233686), wk = 0.0028409
k( 58) = ( 0.5000000 -0.2566001 0.4309288), wk = 0.0028409
k( 59) = ( 0.5000000 -0.2459084 0.4384889), wk = 0.0028409
k( 60) = ( 0.5000000 -0.2352168 0.4460491), wk = 0.0028409
k( 61) = ( 0.5000000 -0.2245251 0.4536092), wk = 0.0028409
k( 62) = ( 0.5000000 -0.2138334 0.4611694), wk = 0.0028409
k( 63) = ( 0.5000000 -0.2031418 0.4687295), wk = 0.0028409
k( 64) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0028409
k( 65) = ( 0.5000000 -0.1817584 0.4838498), wk = 0.0028409
k( 66) = ( 0.5000000 -0.1710667 0.4914100), wk = 0.0028409
k( 67) = ( 0.5000000 -0.1603751 0.4989701), wk = 0.0028409
k( 68) = ( 0.5000000 -0.1496834 0.5065303), wk = 0.0028409
k( 69) = ( 0.5000000 -0.1389917 0.5140904), wk = 0.0028409
k( 70) = ( 0.5000000 -0.1283001 0.5216506), wk = 0.0028409
k( 71) = ( 0.5000000 -0.1176084 0.5292107), wk = 0.0028409
k( 72) = ( 0.5000000 -0.1069167 0.5367709), wk = 0.0028409
k( 73) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0028409
k( 74) = ( 0.5000000 -0.0855334 0.5518912), wk = 0.0028409
k( 75) = ( 0.5000000 -0.0748417 0.5594514), wk = 0.0028409
k( 76) = ( 0.5000000 -0.0641500 0.5670115), wk = 0.0028409
k( 77) = ( 0.5000000 -0.0534584 0.5745717), wk = 0.0028409
k( 78) = ( 0.5000000 -0.0427667 0.5821318), wk = 0.0028409
k( 79) = ( 0.5000000 -0.0320750 0.5896920), wk = 0.0028409
k( 80) = ( 0.5000000 -0.0213833 0.5972521), wk = 0.0028409
k( 81) = ( 0.5000000 -0.0106917 0.6048123), wk = 0.0028409
k( 82) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028409
k( 83) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028409
k( 84) = ( 0.4934211 0.0113951 0.6123724), wk = 0.0028409
k( 85) = ( 0.4868421 0.0227901 0.6123724), wk = 0.0028409
k( 86) = ( 0.4802632 0.0341852 0.6123724), wk = 0.0028409
k( 87) = ( 0.4736842 0.0455803 0.6123724), wk = 0.0028409
k( 88) = ( 0.4671053 0.0569754 0.6123724), wk = 0.0028409
k( 89) = ( 0.4605263 0.0683704 0.6123724), wk = 0.0028409
k( 90) = ( 0.4539474 0.0797655 0.6123724), wk = 0.0028409
k( 91) = ( 0.4473684 0.0911606 0.6123724), wk = 0.0028409
k( 92) = ( 0.4407895 0.1025556 0.6123724), wk = 0.0028409
k( 93) = ( 0.4342105 0.1139507 0.6123724), wk = 0.0028409
k( 94) = ( 0.4276316 0.1253458 0.6123724), wk = 0.0028409
k( 95) = ( 0.4210526 0.1367409 0.6123724), wk = 0.0028409
k( 96) = ( 0.4144737 0.1481359 0.6123724), wk = 0.0028409
k( 97) = ( 0.4078947 0.1595310 0.6123724), wk = 0.0028409
k( 98) = ( 0.4013158 0.1709261 0.6123724), wk = 0.0028409
k( 99) = ( 0.3947368 0.1823211 0.6123724), wk = 0.0028409
k( 100) = ( 0.3881579 0.1937162 0.6123724), wk = 0.0028409
k( 101) = ( 0.3815789 0.2051113 0.6123724), wk = 0.0028409
k( 102) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028409
k( 103) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028409
k( 104) = ( 0.3683036 0.2126402 0.6014372), wk = 0.0028409
k( 105) = ( 0.3616071 0.2087740 0.5905020), wk = 0.0028409
k( 106) = ( 0.3549107 0.2049078 0.5795668), wk = 0.0028409
k( 107) = ( 0.3482143 0.2010416 0.5686315), wk = 0.0028409
k( 108) = ( 0.3415179 0.1971754 0.5576963), wk = 0.0028409
k( 109) = ( 0.3348214 0.1933092 0.5467611), wk = 0.0028409
k( 110) = ( 0.3281250 0.1894431 0.5358259), wk = 0.0028409
k( 111) = ( 0.3214286 0.1855769 0.5248907), wk = 0.0028409
k( 112) = ( 0.3147321 0.1817107 0.5139554), wk = 0.0028409
k( 113) = ( 0.3080357 0.1778445 0.5030202), wk = 0.0028409
k( 114) = ( 0.3013393 0.1739783 0.4920850), wk = 0.0028409
k( 115) = ( 0.2946429 0.1701121 0.4811498), wk = 0.0028409
k( 116) = ( 0.2879464 0.1662459 0.4702146), wk = 0.0028409
k( 117) = ( 0.2812500 0.1623798 0.4592793), wk = 0.0028409
k( 118) = ( 0.2745536 0.1585136 0.4483441), wk = 0.0028409
k( 119) = ( 0.2678571 0.1546474 0.4374089), wk = 0.0028409
k( 120) = ( 0.2611607 0.1507812 0.4264737), wk = 0.0028409
k( 121) = ( 0.2544643 0.1469150 0.4155384), wk = 0.0028409
k( 122) = ( 0.2477679 0.1430488 0.4046032), wk = 0.0028409
k( 123) = ( 0.2410714 0.1391827 0.3936680), wk = 0.0028409
k( 124) = ( 0.2343750 0.1353165 0.3827328), wk = 0.0028409
k( 125) = ( 0.2276786 0.1314503 0.3717975), wk = 0.0028409
k( 126) = ( 0.2209821 0.1275841 0.3608623), wk = 0.0028409
k( 127) = ( 0.2142857 0.1237179 0.3499271), wk = 0.0028409
k( 128) = ( 0.2075893 0.1198517 0.3389919), wk = 0.0028409
k( 129) = ( 0.2008929 0.1159855 0.3280567), wk = 0.0028409
k( 130) = ( 0.1941964 0.1121194 0.3171214), wk = 0.0028409
k( 131) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0028409
k( 132) = ( 0.1808036 0.1043870 0.2952510), wk = 0.0028409
k( 133) = ( 0.1741071 0.1005208 0.2843158), wk = 0.0028409
k( 134) = ( 0.1674107 0.0966546 0.2733806), wk = 0.0028409
k( 135) = ( 0.1607143 0.0927884 0.2624453), wk = 0.0028409
k( 136) = ( 0.1540179 0.0889223 0.2515101), wk = 0.0028409
k( 137) = ( 0.1473214 0.0850561 0.2405749), wk = 0.0028409
k( 138) = ( 0.1406250 0.0811899 0.2296397), wk = 0.0028409
k( 139) = ( 0.1339286 0.0773237 0.2187044), wk = 0.0028409
k( 140) = ( 0.1272321 0.0734575 0.2077692), wk = 0.0028409
k( 141) = ( 0.1205357 0.0695913 0.1968340), wk = 0.0028409
k( 142) = ( 0.1138393 0.0657251 0.1858988), wk = 0.0028409
k( 143) = ( 0.1071429 0.0618590 0.1749635), wk = 0.0028409
k( 144) = ( 0.1004464 0.0579928 0.1640283), wk = 0.0028409
k( 145) = ( 0.0937500 0.0541266 0.1530931), wk = 0.0028409
k( 146) = ( 0.0870536 0.0502604 0.1421579), wk = 0.0028409
k( 147) = ( 0.0803571 0.0463942 0.1312227), wk = 0.0028409
k( 148) = ( 0.0736607 0.0425280 0.1202874), wk = 0.0028409
k( 149) = ( 0.0669643 0.0386619 0.1093522), wk = 0.0028409
k( 150) = ( 0.0602679 0.0347957 0.0984170), wk = 0.0028409
k( 151) = ( 0.0535714 0.0309295 0.0874818), wk = 0.0028409
k( 152) = ( 0.0468750 0.0270633 0.0765466), wk = 0.0028409
k( 153) = ( 0.0401786 0.0231971 0.0656113), wk = 0.0028409
k( 154) = ( 0.0334821 0.0193309 0.0546761), wk = 0.0028409
k( 155) = ( 0.0267857 0.0154647 0.0437409), wk = 0.0028409
k( 156) = ( 0.0200893 0.0115986 0.0328057), wk = 0.0028409
k( 157) = ( 0.0133929 0.0077324 0.0218704), wk = 0.0028409
k( 158) = ( 0.0066964 0.0038662 0.0109352), wk = 0.0028409
k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409
k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409
k( 161) = ( 0.0108696 0.0062755 0.0044375), wk = 0.0028409
k( 162) = ( 0.0217391 0.0125511 0.0088750), wk = 0.0028409
k( 163) = ( 0.0326087 0.0188266 0.0133124), wk = 0.0028409
k( 164) = ( 0.0434783 0.0251022 0.0177499), wk = 0.0028409
k( 165) = ( 0.0543478 0.0313777 0.0221874), wk = 0.0028409
k( 166) = ( 0.0652174 0.0376533 0.0266249), wk = 0.0028409
k( 167) = ( 0.0760870 0.0439288 0.0310624), wk = 0.0028409
k( 168) = ( 0.0869565 0.0502044 0.0354999), wk = 0.0028409
k( 169) = ( 0.0978261 0.0564799 0.0399373), wk = 0.0028409
k( 170) = ( 0.1086957 0.0627555 0.0443748), wk = 0.0028409
k( 171) = ( 0.1195652 0.0690310 0.0488123), wk = 0.0028409
k( 172) = ( 0.1304348 0.0753066 0.0532498), wk = 0.0028409
k( 173) = ( 0.1413043 0.0815821 0.0576873), wk = 0.0028409
k( 174) = ( 0.1521739 0.0878576 0.0621247), wk = 0.0028409
k( 175) = ( 0.1630435 0.0941332 0.0665622), wk = 0.0028409
k( 176) = ( 0.1739130 0.1004087 0.0709997), wk = 0.0028409
k( 177) = ( 0.1847826 0.1066843 0.0754372), wk = 0.0028409
k( 178) = ( 0.1956522 0.1129598 0.0798747), wk = 0.0028409
k( 179) = ( 0.2065217 0.1192354 0.0843121), wk = 0.0028409
k( 180) = ( 0.2173913 0.1255109 0.0887496), wk = 0.0028409
k( 181) = ( 0.2282609 0.1317865 0.0931871), wk = 0.0028409
k( 182) = ( 0.2391304 0.1380620 0.0976246), wk = 0.0028409
k( 183) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0028409
k( 184) = ( 0.2608696 0.1506131 0.1064996), wk = 0.0028409
k( 185) = ( 0.2717391 0.1568887 0.1109370), wk = 0.0028409
k( 186) = ( 0.2826087 0.1631642 0.1153745), wk = 0.0028409
k( 187) = ( 0.2934783 0.1694398 0.1198120), wk = 0.0028409
k( 188) = ( 0.3043478 0.1757153 0.1242495), wk = 0.0028409
k( 189) = ( 0.3152174 0.1819908 0.1286870), wk = 0.0028409
k( 190) = ( 0.3260870 0.1882664 0.1331244), wk = 0.0028409
k( 191) = ( 0.3369565 0.1945419 0.1375619), wk = 0.0028409
k( 192) = ( 0.3478261 0.2008175 0.1419994), wk = 0.0028409
k( 193) = ( 0.3586956 0.2070930 0.1464369), wk = 0.0028409
k( 194) = ( 0.3695652 0.2133686 0.1508744), wk = 0.0028409
k( 195) = ( 0.3804348 0.2196441 0.1553118), wk = 0.0028409
k( 196) = ( 0.3913044 0.2259197 0.1597493), wk = 0.0028409
k( 197) = ( 0.4021739 0.2321952 0.1641868), wk = 0.0028409
k( 198) = ( 0.4130435 0.2384708 0.1686243), wk = 0.0028409
k( 199) = ( 0.4239130 0.2447463 0.1730618), wk = 0.0028409
k( 200) = ( 0.4347826 0.2510219 0.1774993), wk = 0.0028409
k( 201) = ( 0.4456522 0.2572974 0.1819367), wk = 0.0028409
k( 202) = ( 0.4565217 0.2635729 0.1863742), wk = 0.0028409
k( 203) = ( 0.4673913 0.2698485 0.1908117), wk = 0.0028409
k( 204) = ( 0.4782609 0.2761240 0.1952492), wk = 0.0028409
k( 205) = ( 0.4891304 0.2823996 0.1996867), wk = 0.0028409
k( 206) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028409
k( 207) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028409
k( 208) = ( 0.5037879 0.2777405 0.2103097), wk = 0.0028409
k( 209) = ( 0.5075758 0.2668058 0.2164953), wk = 0.0028409
k( 210) = ( 0.5113636 0.2558711 0.2226809), wk = 0.0028409
k( 211) = ( 0.5151515 0.2449365 0.2288665), wk = 0.0028409
k( 212) = ( 0.5189394 0.2340018 0.2350520), wk = 0.0028409
k( 213) = ( 0.5227273 0.2230671 0.2412376), wk = 0.0028409
k( 214) = ( 0.5265152 0.2121325 0.2474232), wk = 0.0028409
k( 215) = ( 0.5303030 0.2011978 0.2536088), wk = 0.0028409
k( 216) = ( 0.5340909 0.1902632 0.2597944), wk = 0.0028409
k( 217) = ( 0.5378788 0.1793285 0.2659800), wk = 0.0028409
k( 218) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0028409
k( 219) = ( 0.5454545 0.1574592 0.2783511), wk = 0.0028409
k( 220) = ( 0.5492424 0.1465245 0.2845367), wk = 0.0028409
k( 221) = ( 0.5530303 0.1355898 0.2907223), wk = 0.0028409
k( 222) = ( 0.5568182 0.1246552 0.2969078), wk = 0.0028409
k( 223) = ( 0.5606061 0.1137205 0.3030934), wk = 0.0028409
k( 224) = ( 0.5643939 0.1027858 0.3092790), wk = 0.0028409
k( 225) = ( 0.5681818 0.0918512 0.3154646), wk = 0.0028409
k( 226) = ( 0.5719697 0.0809165 0.3216502), wk = 0.0028409
k( 227) = ( 0.5757576 0.0699819 0.3278358), wk = 0.0028409
k( 228) = ( 0.5795455 0.0590472 0.3340213), wk = 0.0028409
k( 229) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0028409
k( 230) = ( 0.5871212 0.0371779 0.3463925), wk = 0.0028409
k( 231) = ( 0.5909091 0.0262432 0.3525781), wk = 0.0028409
k( 232) = ( 0.5946970 0.0153085 0.3587636), wk = 0.0028409
k( 233) = ( 0.5984848 0.0043739 0.3649492), wk = 0.0028409
k( 234) = ( 0.6022727 -0.0065608 0.3711348), wk = 0.0028409
k( 235) = ( 0.6060606 -0.0174955 0.3773204), wk = 0.0028409
k( 236) = ( 0.6098485 -0.0284301 0.3835060), wk = 0.0028409
k( 237) = ( 0.6136364 -0.0393648 0.3896915), wk = 0.0028409
k( 238) = ( 0.6174242 -0.0502994 0.3958771), wk = 0.0028409
k( 239) = ( 0.6212121 -0.0612341 0.4020627), wk = 0.0028409
k( 240) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028409
k( 241) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028409
k( 242) = ( 0.6184211 -0.0683704 0.4189917), wk = 0.0028409
k( 243) = ( 0.6118421 -0.0645721 0.4297350), wk = 0.0028409
k( 244) = ( 0.6052632 -0.0607737 0.4404784), wk = 0.0028409
k( 245) = ( 0.5986842 -0.0569754 0.4512218), wk = 0.0028409
k( 246) = ( 0.5921053 -0.0531770 0.4619652), wk = 0.0028409
k( 247) = ( 0.5855263 -0.0493786 0.4727085), wk = 0.0028409
k( 248) = ( 0.5789474 -0.0455803 0.4834519), wk = 0.0028409
k( 249) = ( 0.5723684 -0.0417819 0.4941953), wk = 0.0028409
k( 250) = ( 0.5657895 -0.0379836 0.5049387), wk = 0.0028409
k( 251) = ( 0.5592105 -0.0341852 0.5156820), wk = 0.0028409
k( 252) = ( 0.5526316 -0.0303869 0.5264254), wk = 0.0028409
k( 253) = ( 0.5460526 -0.0265885 0.5371688), wk = 0.0028409
k( 254) = ( 0.5394737 -0.0227901 0.5479122), wk = 0.0028409
k( 255) = ( 0.5328947 -0.0189918 0.5586556), wk = 0.0028409
k( 256) = ( 0.5263158 -0.0151934 0.5693989), wk = 0.0028409
k( 257) = ( 0.5197368 -0.0113951 0.5801423), wk = 0.0028409
k( 258) = ( 0.5131579 -0.0075967 0.5908857), wk = 0.0028409
k( 259) = ( 0.5065789 -0.0037984 0.6016291), wk = 0.0028409
k( 260) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028409
k( 261) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028409
k( 262) = ( 0.5000000 0.0078020 0.6013387), wk = 0.0028409
k( 263) = ( 0.5000000 0.0156041 0.5903050), wk = 0.0028409
k( 264) = ( 0.5000000 0.0234061 0.5792712), wk = 0.0028409
k( 265) = ( 0.5000000 0.0312081 0.5682375), wk = 0.0028409
k( 266) = ( 0.5000000 0.0390101 0.5572038), wk = 0.0028409
k( 267) = ( 0.5000000 0.0468122 0.5461700), wk = 0.0028409
k( 268) = ( 0.5000000 0.0546142 0.5351363), wk = 0.0028409
k( 269) = ( 0.5000000 0.0624162 0.5241025), wk = 0.0028409
k( 270) = ( 0.5000000 0.0702183 0.5130688), wk = 0.0028409
k( 271) = ( 0.5000000 0.0780203 0.5020351), wk = 0.0028409
k( 272) = ( 0.5000000 0.0858223 0.4910013), wk = 0.0028409
k( 273) = ( 0.5000000 0.0936244 0.4799676), wk = 0.0028409
k( 274) = ( 0.5000000 0.1014264 0.4689338), wk = 0.0028409
k( 275) = ( 0.5000000 0.1092284 0.4579001), wk = 0.0028409
k( 276) = ( 0.5000000 0.1170305 0.4468664), wk = 0.0028409
k( 277) = ( 0.5000000 0.1248325 0.4358326), wk = 0.0028409
k( 278) = ( 0.5000000 0.1326345 0.4247989), wk = 0.0028409
k( 279) = ( 0.5000000 0.1404366 0.4137652), wk = 0.0028409
k( 280) = ( 0.5000000 0.1482386 0.4027314), wk = 0.0028409
k( 281) = ( 0.5000000 0.1560406 0.3916977), wk = 0.0028409
k( 282) = ( 0.5000000 0.1638426 0.3806639), wk = 0.0028409
k( 283) = ( 0.5000000 0.1716447 0.3696302), wk = 0.0028409
k( 284) = ( 0.5000000 0.1794467 0.3585965), wk = 0.0028409
k( 285) = ( 0.5000000 0.1872487 0.3475627), wk = 0.0028409
k( 286) = ( 0.5000000 0.1950508 0.3365290), wk = 0.0028409
k( 287) = ( 0.5000000 0.2028528 0.3254953), wk = 0.0028409
k( 288) = ( 0.5000000 0.2106548 0.3144615), wk = 0.0028409
k( 289) = ( 0.5000000 0.2184569 0.3034278), wk = 0.0028409
k( 290) = ( 0.5000000 0.2262589 0.2923940), wk = 0.0028409
k( 291) = ( 0.5000000 0.2340609 0.2813603), wk = 0.0028409
k( 292) = ( 0.5000000 0.2418630 0.2703266), wk = 0.0028409
k( 293) = ( 0.5000000 0.2496650 0.2592928), wk = 0.0028409
k( 294) = ( 0.5000000 0.2574670 0.2482591), wk = 0.0028409
k( 295) = ( 0.5000000 0.2652690 0.2372254), wk = 0.0028409
k( 296) = ( 0.5000000 0.2730711 0.2261916), wk = 0.0028409
k( 297) = ( 0.5000000 0.2808731 0.2151579), wk = 0.0028409
k( 298) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028409
k( 299) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028409
k( 300) = ( 0.4962121 0.2864882 0.2164953), wk = 0.0028409
k( 301) = ( 0.4924242 0.2843013 0.2288665), wk = 0.0028409
k( 302) = ( 0.4886364 0.2821143 0.2412376), wk = 0.0028409
k( 303) = ( 0.4848485 0.2799274 0.2536088), wk = 0.0028409
k( 304) = ( 0.4810606 0.2777405 0.2659799), wk = 0.0028409
k( 305) = ( 0.4772727 0.2755535 0.2783511), wk = 0.0028409
k( 306) = ( 0.4734849 0.2733666 0.2907223), wk = 0.0028409
k( 307) = ( 0.4696970 0.2711797 0.3030934), wk = 0.0028409
k( 308) = ( 0.4659091 0.2689927 0.3154646), wk = 0.0028409
k( 309) = ( 0.4621212 0.2668058 0.3278358), wk = 0.0028409
k( 310) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0028409
k( 311) = ( 0.4545455 0.2624319 0.3525781), wk = 0.0028409
k( 312) = ( 0.4507576 0.2602450 0.3649492), wk = 0.0028409
k( 313) = ( 0.4469697 0.2580581 0.3773204), wk = 0.0028409
k( 314) = ( 0.4431818 0.2558711 0.3896915), wk = 0.0028409
k( 315) = ( 0.4393939 0.2536842 0.4020627), wk = 0.0028409
k( 316) = ( 0.4356061 0.2514973 0.4144339), wk = 0.0028409
k( 317) = ( 0.4318182 0.2493103 0.4268050), wk = 0.0028409
k( 318) = ( 0.4280303 0.2471234 0.4391762), wk = 0.0028409
k( 319) = ( 0.4242424 0.2449365 0.4515474), wk = 0.0028409
k( 320) = ( 0.4204545 0.2427495 0.4639185), wk = 0.0028409
k( 321) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0028409
k( 322) = ( 0.4128788 0.2383757 0.4886608), wk = 0.0028409
k( 323) = ( 0.4090909 0.2361887 0.5010320), wk = 0.0028409
k( 324) = ( 0.4053030 0.2340018 0.5134032), wk = 0.0028409
k( 325) = ( 0.4015151 0.2318149 0.5257743), wk = 0.0028409
k( 326) = ( 0.3977273 0.2296279 0.5381455), wk = 0.0028409
k( 327) = ( 0.3939394 0.2274410 0.5505166), wk = 0.0028409
k( 328) = ( 0.3901515 0.2252541 0.5628878), wk = 0.0028409
k( 329) = ( 0.3863636 0.2230672 0.5752590), wk = 0.0028409
k( 330) = ( 0.3825758 0.2208802 0.5876301), wk = 0.0028409
k( 331) = ( 0.3787879 0.2186933 0.6000013), wk = 0.0028409
k( 332) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028409
k( 333) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028409
k( 334) = ( 0.6184211 -0.0835638 0.4082483), wk = 0.0028409
k( 335) = ( 0.6118421 -0.0949589 0.4082483), wk = 0.0028409
k( 336) = ( 0.6052632 -0.1063540 0.4082483), wk = 0.0028409
k( 337) = ( 0.5986842 -0.1177491 0.4082483), wk = 0.0028409
k( 338) = ( 0.5921053 -0.1291441 0.4082483), wk = 0.0028409
k( 339) = ( 0.5855263 -0.1405392 0.4082483), wk = 0.0028409
k( 340) = ( 0.5789474 -0.1519343 0.4082483), wk = 0.0028409
k( 341) = ( 0.5723684 -0.1633294 0.4082483), wk = 0.0028409
k( 342) = ( 0.5657895 -0.1747244 0.4082483), wk = 0.0028409
k( 343) = ( 0.5592105 -0.1861195 0.4082483), wk = 0.0028409
k( 344) = ( 0.5526316 -0.1975146 0.4082483), wk = 0.0028409
k( 345) = ( 0.5460526 -0.2089096 0.4082483), wk = 0.0028409
k( 346) = ( 0.5394737 -0.2203047 0.4082483), wk = 0.0028409
k( 347) = ( 0.5328947 -0.2316998 0.4082483), wk = 0.0028409
k( 348) = ( 0.5263158 -0.2430948 0.4082483), wk = 0.0028409
k( 349) = ( 0.5197368 -0.2544899 0.4082483), wk = 0.0028409
k( 350) = ( 0.5131579 -0.2658850 0.4082483), wk = 0.0028409
k( 351) = ( 0.5065789 -0.2772801 0.4082483), wk = 0.0028409
k( 352) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028409
cryst. coord.
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409
k( 2) = ( 0.0094340 0.0000000 0.0094340), wk = 0.0028409
k( 3) = ( 0.0188679 0.0000000 0.0188679), wk = 0.0028409
k( 4) = ( 0.0283019 -0.0000000 0.0283019), wk = 0.0028409
k( 5) = ( 0.0377359 0.0000000 0.0377359), wk = 0.0028409
k( 6) = ( 0.0471698 -0.0000000 0.0471698), wk = 0.0028409
k( 7) = ( 0.0566038 -0.0000000 0.0566038), wk = 0.0028409
k( 8) = ( 0.0660377 0.0000000 0.0660377), wk = 0.0028409
k( 9) = ( 0.0754717 0.0000000 0.0754717), wk = 0.0028409
k( 10) = ( 0.0849057 0.0000000 0.0849057), wk = 0.0028409
k( 11) = ( 0.0943396 -0.0000000 0.0943396), wk = 0.0028409
k( 12) = ( 0.1037736 -0.0000000 0.1037736), wk = 0.0028409
k( 13) = ( 0.1132076 -0.0000000 0.1132076), wk = 0.0028409
k( 14) = ( 0.1226415 -0.0000000 0.1226415), wk = 0.0028409
k( 15) = ( 0.1320755 0.0000000 0.1320755), wk = 0.0028409
k( 16) = ( 0.1415094 -0.0000000 0.1415094), wk = 0.0028409
k( 17) = ( 0.1509434 0.0000000 0.1509434), wk = 0.0028409
k( 18) = ( 0.1603774 -0.0000000 0.1603774), wk = 0.0028409
k( 19) = ( 0.1698113 0.0000000 0.1698113), wk = 0.0028409
k( 20) = ( 0.1792453 -0.0000000 0.1792453), wk = 0.0028409
k( 21) = ( 0.1886792 -0.0000000 0.1886793), wk = 0.0028409
k( 22) = ( 0.1981132 -0.0000000 0.1981132), wk = 0.0028409
k( 23) = ( 0.2075472 -0.0000000 0.2075472), wk = 0.0028409
k( 24) = ( 0.2169811 0.0000000 0.2169811), wk = 0.0028409
k( 25) = ( 0.2264151 -0.0000000 0.2264151), wk = 0.0028409
k( 26) = ( 0.2358491 -0.0000000 0.2358491), wk = 0.0028409
k( 27) = ( 0.2452830 -0.0000000 0.2452830), wk = 0.0028409
k( 28) = ( 0.2547170 -0.0000000 0.2547170), wk = 0.0028409
k( 29) = ( 0.2641509 0.0000000 0.2641509), wk = 0.0028409
k( 30) = ( 0.2735849 0.0000000 0.2735849), wk = 0.0028409
k( 31) = ( 0.2830189 0.0000000 0.2830189), wk = 0.0028409
k( 32) = ( 0.2924528 0.0000000 0.2924528), wk = 0.0028409
k( 33) = ( 0.3018868 -0.0000000 0.3018868), wk = 0.0028409
k( 34) = ( 0.3113207 0.0000000 0.3113208), wk = 0.0028409
k( 35) = ( 0.3207547 -0.0000000 0.3207547), wk = 0.0028409
k( 36) = ( 0.3301887 0.0000000 0.3301887), wk = 0.0028409
k( 37) = ( 0.3396226 0.0000000 0.3396226), wk = 0.0028409
k( 38) = ( 0.3490566 -0.0000000 0.3490566), wk = 0.0028409
k( 39) = ( 0.3584906 -0.0000000 0.3584906), wk = 0.0028409
k( 40) = ( 0.3679245 -0.0000000 0.3679245), wk = 0.0028409
k( 41) = ( 0.3773585 -0.0000000 0.3773585), wk = 0.0028409
k( 42) = ( 0.3867925 -0.0000000 0.3867925), wk = 0.0028409
k( 43) = ( 0.3962264 -0.0000000 0.3962264), wk = 0.0028409
k( 44) = ( 0.4056604 -0.0000000 0.4056604), wk = 0.0028409
k( 45) = ( 0.4150943 -0.0000000 0.4150943), wk = 0.0028409
k( 46) = ( 0.4245283 -0.0000000 0.4245283), wk = 0.0028409
k( 47) = ( 0.4339623 0.0000000 0.4339623), wk = 0.0028409
k( 48) = ( 0.4433962 -0.0000000 0.4433962), wk = 0.0028409
k( 49) = ( 0.4528302 -0.0000000 0.4528302), wk = 0.0028409
k( 50) = ( 0.4622641 -0.0000000 0.4622642), wk = 0.0028409
k( 51) = ( 0.4716981 -0.0000000 0.4716981), wk = 0.0028409
k( 52) = ( 0.4811321 -0.0000000 0.4811321), wk = 0.0028409
k( 53) = ( 0.4905660 -0.0000000 0.4905660), wk = 0.0028409
k( 54) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028409
k( 55) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028409
k( 56) = ( 0.5000000 0.0092593 0.5092593), wk = 0.0028409
k( 57) = ( 0.5000000 0.0185185 0.5185185), wk = 0.0028409
k( 58) = ( 0.5000000 0.0277778 0.5277778), wk = 0.0028409
k( 59) = ( 0.5000000 0.0370370 0.5370370), wk = 0.0028409
k( 60) = ( 0.5000000 0.0462963 0.5462963), wk = 0.0028409
k( 61) = ( 0.5000000 0.0555556 0.5555556), wk = 0.0028409
k( 62) = ( 0.5000000 0.0648148 0.5648148), wk = 0.0028409
k( 63) = ( 0.5000000 0.0740741 0.5740741), wk = 0.0028409
k( 64) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0028409
k( 65) = ( 0.5000000 0.0925926 0.5925926), wk = 0.0028409
k( 66) = ( 0.5000000 0.1018518 0.6018519), wk = 0.0028409
k( 67) = ( 0.5000000 0.1111111 0.6111111), wk = 0.0028409
k( 68) = ( 0.5000000 0.1203704 0.6203704), wk = 0.0028409
k( 69) = ( 0.5000000 0.1296296 0.6296296), wk = 0.0028409
k( 70) = ( 0.5000000 0.1388889 0.6388889), wk = 0.0028409
k( 71) = ( 0.5000000 0.1481482 0.6481482), wk = 0.0028409
k( 72) = ( 0.5000000 0.1574074 0.6574074), wk = 0.0028409
k( 73) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0028409
k( 74) = ( 0.5000000 0.1759259 0.6759259), wk = 0.0028409
k( 75) = ( 0.5000000 0.1851852 0.6851852), wk = 0.0028409
k( 76) = ( 0.5000000 0.1944444 0.6944444), wk = 0.0028409
k( 77) = ( 0.5000000 0.2037037 0.7037037), wk = 0.0028409
k( 78) = ( 0.5000000 0.2129630 0.7129630), wk = 0.0028409
k( 79) = ( 0.5000000 0.2222222 0.7222222), wk = 0.0028409
k( 80) = ( 0.5000000 0.2314815 0.7314815), wk = 0.0028409
k( 81) = ( 0.5000000 0.2407407 0.7407407), wk = 0.0028409
k( 82) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028409
k( 83) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028409
k( 84) = ( 0.4934211 0.2565789 0.7500000), wk = 0.0028409
k( 85) = ( 0.4868421 0.2631579 0.7500000), wk = 0.0028409
k( 86) = ( 0.4802632 0.2697368 0.7500000), wk = 0.0028409
k( 87) = ( 0.4736842 0.2763158 0.7500000), wk = 0.0028409
k( 88) = ( 0.4671053 0.2828947 0.7500000), wk = 0.0028409
k( 89) = ( 0.4605263 0.2894737 0.7500000), wk = 0.0028409
k( 90) = ( 0.4539474 0.2960526 0.7500000), wk = 0.0028409
k( 91) = ( 0.4473684 0.3026316 0.7500000), wk = 0.0028409
k( 92) = ( 0.4407895 0.3092105 0.7500000), wk = 0.0028409
k( 93) = ( 0.4342105 0.3157895 0.7500000), wk = 0.0028409
k( 94) = ( 0.4276316 0.3223684 0.7500000), wk = 0.0028409
k( 95) = ( 0.4210526 0.3289474 0.7500000), wk = 0.0028409
k( 96) = ( 0.4144737 0.3355263 0.7500000), wk = 0.0028409
k( 97) = ( 0.4078947 0.3421053 0.7500000), wk = 0.0028409
k( 98) = ( 0.4013158 0.3486842 0.7500000), wk = 0.0028409
k( 99) = ( 0.3947368 0.3552632 0.7500000), wk = 0.0028409
k( 100) = ( 0.3881579 0.3618421 0.7500000), wk = 0.0028409
k( 101) = ( 0.3815789 0.3684211 0.7500000), wk = 0.0028409
k( 102) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028409
k( 103) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028409
k( 104) = ( 0.3683036 0.3683036 0.7366071), wk = 0.0028409
k( 105) = ( 0.3616071 0.3616071 0.7232143), wk = 0.0028409
k( 106) = ( 0.3549107 0.3549107 0.7098214), wk = 0.0028409
k( 107) = ( 0.3482143 0.3482143 0.6964286), wk = 0.0028409
k( 108) = ( 0.3415179 0.3415179 0.6830357), wk = 0.0028409
k( 109) = ( 0.3348214 0.3348214 0.6696429), wk = 0.0028409
k( 110) = ( 0.3281250 0.3281250 0.6562500), wk = 0.0028409
k( 111) = ( 0.3214286 0.3214286 0.6428571), wk = 0.0028409
k( 112) = ( 0.3147321 0.3147321 0.6294643), wk = 0.0028409
k( 113) = ( 0.3080357 0.3080357 0.6160714), wk = 0.0028409
k( 114) = ( 0.3013393 0.3013393 0.6026786), wk = 0.0028409
k( 115) = ( 0.2946429 0.2946429 0.5892857), wk = 0.0028409
k( 116) = ( 0.2879464 0.2879464 0.5758929), wk = 0.0028409
k( 117) = ( 0.2812500 0.2812500 0.5625000), wk = 0.0028409
k( 118) = ( 0.2745536 0.2745536 0.5491071), wk = 0.0028409
k( 119) = ( 0.2678571 0.2678571 0.5357143), wk = 0.0028409
k( 120) = ( 0.2611607 0.2611607 0.5223214), wk = 0.0028409
k( 121) = ( 0.2544643 0.2544643 0.5089286), wk = 0.0028409
k( 122) = ( 0.2477679 0.2477679 0.4955357), wk = 0.0028409
k( 123) = ( 0.2410714 0.2410714 0.4821429), wk = 0.0028409
k( 124) = ( 0.2343750 0.2343750 0.4687500), wk = 0.0028409
k( 125) = ( 0.2276786 0.2276786 0.4553571), wk = 0.0028409
k( 126) = ( 0.2209821 0.2209821 0.4419643), wk = 0.0028409
k( 127) = ( 0.2142857 0.2142857 0.4285714), wk = 0.0028409
k( 128) = ( 0.2075893 0.2075893 0.4151786), wk = 0.0028409
k( 129) = ( 0.2008929 0.2008929 0.4017857), wk = 0.0028409
k( 130) = ( 0.1941964 0.1941964 0.3883929), wk = 0.0028409
k( 131) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0028409
k( 132) = ( 0.1808036 0.1808036 0.3616071), wk = 0.0028409
k( 133) = ( 0.1741071 0.1741071 0.3482143), wk = 0.0028409
k( 134) = ( 0.1674107 0.1674107 0.3348214), wk = 0.0028409
k( 135) = ( 0.1607143 0.1607143 0.3214286), wk = 0.0028409
k( 136) = ( 0.1540179 0.1540179 0.3080357), wk = 0.0028409
k( 137) = ( 0.1473214 0.1473214 0.2946429), wk = 0.0028409
k( 138) = ( 0.1406250 0.1406250 0.2812500), wk = 0.0028409
k( 139) = ( 0.1339286 0.1339286 0.2678571), wk = 0.0028409
k( 140) = ( 0.1272321 0.1272321 0.2544643), wk = 0.0028409
k( 141) = ( 0.1205357 0.1205357 0.2410714), wk = 0.0028409
k( 142) = ( 0.1138393 0.1138393 0.2276786), wk = 0.0028409
k( 143) = ( 0.1071429 0.1071429 0.2142857), wk = 0.0028409
k( 144) = ( 0.1004464 0.1004464 0.2008929), wk = 0.0028409
k( 145) = ( 0.0937500 0.0937500 0.1875000), wk = 0.0028409
k( 146) = ( 0.0870536 0.0870536 0.1741071), wk = 0.0028409
k( 147) = ( 0.0803571 0.0803571 0.1607143), wk = 0.0028409
k( 148) = ( 0.0736607 0.0736607 0.1473214), wk = 0.0028409
k( 149) = ( 0.0669643 0.0669643 0.1339286), wk = 0.0028409
k( 150) = ( 0.0602679 0.0602679 0.1205357), wk = 0.0028409
k( 151) = ( 0.0535714 0.0535714 0.1071429), wk = 0.0028409
k( 152) = ( 0.0468750 0.0468750 0.0937500), wk = 0.0028409
k( 153) = ( 0.0401786 0.0401786 0.0803571), wk = 0.0028409
k( 154) = ( 0.0334821 0.0334821 0.0669643), wk = 0.0028409
k( 155) = ( 0.0267857 0.0267857 0.0535714), wk = 0.0028409
k( 156) = ( 0.0200893 0.0200893 0.0401786), wk = 0.0028409
k( 157) = ( 0.0133929 0.0133929 0.0267857), wk = 0.0028409
k( 158) = ( 0.0066964 0.0066964 0.0133929), wk = 0.0028409
k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409
k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409
k( 161) = ( 0.0108696 0.0108696 0.0108696), wk = 0.0028409
k( 162) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0028409
k( 163) = ( 0.0326087 0.0326087 0.0326087), wk = 0.0028409
k( 164) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0028409
k( 165) = ( 0.0543478 0.0543478 0.0543478), wk = 0.0028409
k( 166) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0028409
k( 167) = ( 0.0760870 0.0760870 0.0760870), wk = 0.0028409
k( 168) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0028409
k( 169) = ( 0.0978261 0.0978261 0.0978261), wk = 0.0028409
k( 170) = ( 0.1086957 0.1086957 0.1086957), wk = 0.0028409
k( 171) = ( 0.1195652 0.1195652 0.1195652), wk = 0.0028409
k( 172) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0028409
k( 173) = ( 0.1413043 0.1413044 0.1413044), wk = 0.0028409
k( 174) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0028409
k( 175) = ( 0.1630435 0.1630435 0.1630435), wk = 0.0028409
k( 176) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0028409
k( 177) = ( 0.1847826 0.1847826 0.1847826), wk = 0.0028409
k( 178) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0028409
k( 179) = ( 0.2065217 0.2065217 0.2065217), wk = 0.0028409
k( 180) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0028409
k( 181) = ( 0.2282609 0.2282609 0.2282609), wk = 0.0028409
k( 182) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0028409
k( 183) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028409
k( 184) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0028409
k( 185) = ( 0.2717391 0.2717391 0.2717391), wk = 0.0028409
k( 186) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0028409
k( 187) = ( 0.2934783 0.2934783 0.2934783), wk = 0.0028409
k( 188) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0028409
k( 189) = ( 0.3152174 0.3152174 0.3152174), wk = 0.0028409
k( 190) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0028409
k( 191) = ( 0.3369565 0.3369565 0.3369565), wk = 0.0028409
k( 192) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0028409
k( 193) = ( 0.3586956 0.3586957 0.3586957), wk = 0.0028409
k( 194) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0028409
k( 195) = ( 0.3804348 0.3804348 0.3804348), wk = 0.0028409
k( 196) = ( 0.3913044 0.3913044 0.3913044), wk = 0.0028409
k( 197) = ( 0.4021739 0.4021739 0.4021739), wk = 0.0028409
k( 198) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0028409
k( 199) = ( 0.4239130 0.4239130 0.4239130), wk = 0.0028409
k( 200) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0028409
k( 201) = ( 0.4456522 0.4456522 0.4456522), wk = 0.0028409
k( 202) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0028409
k( 203) = ( 0.4673913 0.4673913 0.4673913), wk = 0.0028409
k( 204) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0028409
k( 205) = ( 0.4891304 0.4891304 0.4891304), wk = 0.0028409
k( 206) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028409
k( 207) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028409
k( 208) = ( 0.5037879 0.4924242 0.5037879), wk = 0.0028409
k( 209) = ( 0.5075758 0.4848485 0.5075758), wk = 0.0028409
k( 210) = ( 0.5113636 0.4772727 0.5113636), wk = 0.0028409
k( 211) = ( 0.5151515 0.4696970 0.5151515), wk = 0.0028409
k( 212) = ( 0.5189394 0.4621212 0.5189394), wk = 0.0028409
k( 213) = ( 0.5227273 0.4545455 0.5227273), wk = 0.0028409
k( 214) = ( 0.5265152 0.4469697 0.5265152), wk = 0.0028409
k( 215) = ( 0.5303030 0.4393939 0.5303030), wk = 0.0028409
k( 216) = ( 0.5340909 0.4318182 0.5340909), wk = 0.0028409
k( 217) = ( 0.5378788 0.4242424 0.5378788), wk = 0.0028409
k( 218) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0028409
k( 219) = ( 0.5454545 0.4090909 0.5454546), wk = 0.0028409
k( 220) = ( 0.5492424 0.4015151 0.5492424), wk = 0.0028409
k( 221) = ( 0.5530303 0.3939394 0.5530303), wk = 0.0028409
k( 222) = ( 0.5568182 0.3863636 0.5568182), wk = 0.0028409
k( 223) = ( 0.5606061 0.3787879 0.5606061), wk = 0.0028409
k( 224) = ( 0.5643939 0.3712121 0.5643939), wk = 0.0028409
k( 225) = ( 0.5681818 0.3636364 0.5681818), wk = 0.0028409
k( 226) = ( 0.5719697 0.3560606 0.5719697), wk = 0.0028409
k( 227) = ( 0.5757576 0.3484849 0.5757576), wk = 0.0028409
k( 228) = ( 0.5795455 0.3409091 0.5795455), wk = 0.0028409
k( 229) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0028409
k( 230) = ( 0.5871212 0.3257576 0.5871212), wk = 0.0028409
k( 231) = ( 0.5909091 0.3181818 0.5909091), wk = 0.0028409
k( 232) = ( 0.5946970 0.3106061 0.5946970), wk = 0.0028409
k( 233) = ( 0.5984848 0.3030303 0.5984849), wk = 0.0028409
k( 234) = ( 0.6022727 0.2954546 0.6022727), wk = 0.0028409
k( 235) = ( 0.6060606 0.2878788 0.6060606), wk = 0.0028409
k( 236) = ( 0.6098485 0.2803030 0.6098485), wk = 0.0028409
k( 237) = ( 0.6136364 0.2727273 0.6136364), wk = 0.0028409
k( 238) = ( 0.6174242 0.2651515 0.6174242), wk = 0.0028409
k( 239) = ( 0.6212121 0.2575758 0.6212121), wk = 0.0028409
k( 240) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028409
k( 241) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028409
k( 242) = ( 0.6184211 0.2500000 0.6315790), wk = 0.0028409
k( 243) = ( 0.6118421 0.2500000 0.6381579), wk = 0.0028409
k( 244) = ( 0.6052632 0.2500000 0.6447368), wk = 0.0028409
k( 245) = ( 0.5986842 0.2500000 0.6513158), wk = 0.0028409
k( 246) = ( 0.5921053 0.2500000 0.6578947), wk = 0.0028409
k( 247) = ( 0.5855263 0.2500000 0.6644737), wk = 0.0028409
k( 248) = ( 0.5789474 0.2500000 0.6710526), wk = 0.0028409
k( 249) = ( 0.5723684 0.2500000 0.6776316), wk = 0.0028409
k( 250) = ( 0.5657895 0.2500000 0.6842105), wk = 0.0028409
k( 251) = ( 0.5592105 0.2500000 0.6907895), wk = 0.0028409
k( 252) = ( 0.5526316 0.2500000 0.6973684), wk = 0.0028409
k( 253) = ( 0.5460526 0.2500000 0.7039474), wk = 0.0028409
k( 254) = ( 0.5394737 0.2500000 0.7105263), wk = 0.0028409
k( 255) = ( 0.5328947 0.2500000 0.7171053), wk = 0.0028409
k( 256) = ( 0.5263158 0.2500000 0.7236842), wk = 0.0028409
k( 257) = ( 0.5197368 0.2500000 0.7302632), wk = 0.0028409
k( 258) = ( 0.5131579 0.2500000 0.7368421), wk = 0.0028409
k( 259) = ( 0.5065789 0.2500000 0.7434211), wk = 0.0028409
k( 260) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028409
k( 261) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028409
k( 262) = ( 0.5000000 0.2567568 0.7432432), wk = 0.0028409
k( 263) = ( 0.5000000 0.2635135 0.7364865), wk = 0.0028409
k( 264) = ( 0.5000000 0.2702703 0.7297297), wk = 0.0028409
k( 265) = ( 0.5000000 0.2770270 0.7229730), wk = 0.0028409
k( 266) = ( 0.5000000 0.2837838 0.7162162), wk = 0.0028409
k( 267) = ( 0.5000000 0.2905405 0.7094595), wk = 0.0028409
k( 268) = ( 0.5000000 0.2972973 0.7027027), wk = 0.0028409
k( 269) = ( 0.5000000 0.3040541 0.6959460), wk = 0.0028409
k( 270) = ( 0.5000000 0.3108108 0.6891892), wk = 0.0028409
k( 271) = ( 0.5000000 0.3175676 0.6824324), wk = 0.0028409
k( 272) = ( 0.5000000 0.3243243 0.6756757), wk = 0.0028409
k( 273) = ( 0.5000000 0.3310811 0.6689189), wk = 0.0028409
k( 274) = ( 0.5000000 0.3378378 0.6621622), wk = 0.0028409
k( 275) = ( 0.5000000 0.3445946 0.6554054), wk = 0.0028409
k( 276) = ( 0.5000000 0.3513514 0.6486487), wk = 0.0028409
k( 277) = ( 0.5000000 0.3581081 0.6418919), wk = 0.0028409
k( 278) = ( 0.5000000 0.3648649 0.6351351), wk = 0.0028409
k( 279) = ( 0.5000000 0.3716216 0.6283784), wk = 0.0028409
k( 280) = ( 0.5000000 0.3783784 0.6216216), wk = 0.0028409
k( 281) = ( 0.5000000 0.3851351 0.6148649), wk = 0.0028409
k( 282) = ( 0.5000000 0.3918919 0.6081081), wk = 0.0028409
k( 283) = ( 0.5000000 0.3986486 0.6013513), wk = 0.0028409
k( 284) = ( 0.5000000 0.4054054 0.5945946), wk = 0.0028409
k( 285) = ( 0.5000000 0.4121622 0.5878378), wk = 0.0028409
k( 286) = ( 0.5000000 0.4189189 0.5810811), wk = 0.0028409
k( 287) = ( 0.5000000 0.4256757 0.5743243), wk = 0.0028409
k( 288) = ( 0.5000000 0.4324324 0.5675676), wk = 0.0028409
k( 289) = ( 0.5000000 0.4391892 0.5608108), wk = 0.0028409
k( 290) = ( 0.5000000 0.4459459 0.5540541), wk = 0.0028409
k( 291) = ( 0.5000000 0.4527027 0.5472973), wk = 0.0028409
k( 292) = ( 0.5000000 0.4594595 0.5405405), wk = 0.0028409
k( 293) = ( 0.5000000 0.4662162 0.5337838), wk = 0.0028409
k( 294) = ( 0.5000000 0.4729730 0.5270270), wk = 0.0028409
k( 295) = ( 0.5000000 0.4797297 0.5202703), wk = 0.0028409
k( 296) = ( 0.5000000 0.4864865 0.5135135), wk = 0.0028409
k( 297) = ( 0.5000000 0.4932432 0.5067568), wk = 0.0028409
k( 298) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028409
k( 299) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028409
k( 300) = ( 0.4962121 0.4962121 0.5075758), wk = 0.0028409
k( 301) = ( 0.4924242 0.4924242 0.5151515), wk = 0.0028409
k( 302) = ( 0.4886364 0.4886364 0.5227273), wk = 0.0028409
k( 303) = ( 0.4848485 0.4848485 0.5303030), wk = 0.0028409
k( 304) = ( 0.4810606 0.4810606 0.5378788), wk = 0.0028409
k( 305) = ( 0.4772727 0.4772727 0.5454546), wk = 0.0028409
k( 306) = ( 0.4734849 0.4734849 0.5530303), wk = 0.0028409
k( 307) = ( 0.4696970 0.4696970 0.5606061), wk = 0.0028409
k( 308) = ( 0.4659091 0.4659091 0.5681818), wk = 0.0028409
k( 309) = ( 0.4621212 0.4621212 0.5757576), wk = 0.0028409
k( 310) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0028409
k( 311) = ( 0.4545455 0.4545455 0.5909091), wk = 0.0028409
k( 312) = ( 0.4507576 0.4507576 0.5984849), wk = 0.0028409
k( 313) = ( 0.4469697 0.4469697 0.6060606), wk = 0.0028409
k( 314) = ( 0.4431818 0.4431818 0.6136364), wk = 0.0028409
k( 315) = ( 0.4393939 0.4393939 0.6212121), wk = 0.0028409
k( 316) = ( 0.4356061 0.4356061 0.6287879), wk = 0.0028409
k( 317) = ( 0.4318182 0.4318182 0.6363636), wk = 0.0028409
k( 318) = ( 0.4280303 0.4280303 0.6439394), wk = 0.0028409
k( 319) = ( 0.4242424 0.4242424 0.6515152), wk = 0.0028409
k( 320) = ( 0.4204545 0.4204545 0.6590909), wk = 0.0028409
k( 321) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0028409
k( 322) = ( 0.4128788 0.4128788 0.6742424), wk = 0.0028409
k( 323) = ( 0.4090909 0.4090909 0.6818182), wk = 0.0028409
k( 324) = ( 0.4053030 0.4053030 0.6893939), wk = 0.0028409
k( 325) = ( 0.4015151 0.4015152 0.6969697), wk = 0.0028409
k( 326) = ( 0.3977273 0.3977273 0.7045455), wk = 0.0028409
k( 327) = ( 0.3939394 0.3939394 0.7121212), wk = 0.0028409
k( 328) = ( 0.3901515 0.3901515 0.7196970), wk = 0.0028409
k( 329) = ( 0.3863636 0.3863636 0.7272727), wk = 0.0028409
k( 330) = ( 0.3825758 0.3825758 0.7348485), wk = 0.0028409
k( 331) = ( 0.3787879 0.3787879 0.7424242), wk = 0.0028409
k( 332) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028409
k( 333) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028409
k( 334) = ( 0.6184211 0.2368421 0.6184211), wk = 0.0028409
k( 335) = ( 0.6118421 0.2236842 0.6118421), wk = 0.0028409
k( 336) = ( 0.6052632 0.2105263 0.6052632), wk = 0.0028409
k( 337) = ( 0.5986842 0.1973684 0.5986842), wk = 0.0028409
k( 338) = ( 0.5921053 0.1842105 0.5921053), wk = 0.0028409
k( 339) = ( 0.5855263 0.1710526 0.5855263), wk = 0.0028409
k( 340) = ( 0.5789474 0.1578947 0.5789474), wk = 0.0028409
k( 341) = ( 0.5723684 0.1447368 0.5723684), wk = 0.0028409
k( 342) = ( 0.5657895 0.1315789 0.5657895), wk = 0.0028409
k( 343) = ( 0.5592105 0.1184210 0.5592105), wk = 0.0028409
k( 344) = ( 0.5526316 0.1052632 0.5526316), wk = 0.0028409
k( 345) = ( 0.5460526 0.0921053 0.5460526), wk = 0.0028409
k( 346) = ( 0.5394737 0.0789474 0.5394737), wk = 0.0028409
k( 347) = ( 0.5328947 0.0657895 0.5328947), wk = 0.0028409
k( 348) = ( 0.5263158 0.0526316 0.5263158), wk = 0.0028409
k( 349) = ( 0.5197368 0.0394737 0.5197368), wk = 0.0028409
k( 350) = ( 0.5131579 0.0263158 0.5131579), wk = 0.0028409
k( 351) = ( 0.5065789 0.0131579 0.5065790), wk = 0.0028409
k( 352) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028409
Dense grid: 51493 G-vectors FFT dimensions: ( 54, 54, 54)
Largest allocated arrays est. size (Mb) dimensions
Kohn-Sham Wavefunctions 0.19 Mb ( 374, 34)
NL pseudopotentials 0.27 Mb ( 187, 96)
Each V/rho on FFT grid 0.09 Mb ( 5832)
Each G-vector array 0.01 Mb ( 1430)
G-vector shells 0.00 Mb ( 400)
Largest temporary arrays est. size (Mb) dimensions
Auxiliary wavefunctions 0.78 Mb ( 374, 136)
Each subspace H/S matrix 0.02 Mb ( 34, 34)
Each <psi_i|beta_j> matrix 0.10 Mb ( 96, 2, 34)
Check: negative/imaginary core charge= -0.000001 0.000000
The potential is recalculated from file :
./Li2AlRh.save/charge-density.dat
Starting wfc are 48 randomized atomic wfcs
Band Structure Calculation
Davidson diagonalization with overlap
Computing kpt #: 1
total cpu time spent up to now is 3.1 secs
Computing kpt #: 2
total cpu time spent up to now is 3.7 secs
Computing kpt #: 3
total cpu time spent up to now is 4.2 secs
Computing kpt #: 4
total cpu time spent up to now is 5.3 secs
Computing kpt #: 5
total cpu time spent up to now is 5.8 secs
Computing kpt #: 6
total cpu time spent up to now is 6.3 secs
Computing kpt #: 7
total cpu time spent up to now is 6.8 secs
Computing kpt #: 8
total cpu time spent up to now is 7.3 secs
Computing kpt #: 9
total cpu time spent up to now is 7.7 secs
Computing kpt #: 10
total cpu time spent up to now is 8.2 secs
Computing kpt #: 11
total cpu time spent up to now is 8.7 secs
Computing kpt #: 12
total cpu time spent up to now is 9.2 secs
Computing kpt #: 13
total cpu time spent up to now is 9.7 secs
Computing kpt #: 14
total cpu time spent up to now is 10.2 secs
Computing kpt #: 15
total cpu time spent up to now is 10.6 secs
Computing kpt #: 16
total cpu time spent up to now is 11.1 secs
Computing kpt #: 17
total cpu time spent up to now is 11.6 secs
Computing kpt #: 18
total cpu time spent up to now is 12.0 secs
Computing kpt #: 19
total cpu time spent up to now is 12.4 secs
Computing kpt #: 20
total cpu time spent up to now is 12.8 secs
Computing kpt #: 21
total cpu time spent up to now is 13.2 secs
Computing kpt #: 22
total cpu time spent up to now is 13.6 secs
Computing kpt #: 23
total cpu time spent up to now is 14.0 secs
Computing kpt #: 24
total cpu time spent up to now is 14.4 secs
Computing kpt #: 25
total cpu time spent up to now is 14.8 secs
Computing kpt #: 26
total cpu time spent up to now is 15.2 secs
Computing kpt #: 27
total cpu time spent up to now is 15.6 secs
Computing kpt #: 28
total cpu time spent up to now is 16.0 secs
Computing kpt #: 29
total cpu time spent up to now is 16.4 secs
Computing kpt #: 30
total cpu time spent up to now is 16.8 secs
Computing kpt #: 31
total cpu time spent up to now is 17.2 secs
Computing kpt #: 32
total cpu time spent up to now is 17.5 secs
Computing kpt #: 33
total cpu time spent up to now is 18.0 secs
Computing kpt #: 34
total cpu time spent up to now is 18.4 secs
Computing kpt #: 35
total cpu time spent up to now is 18.7 secs
Computing kpt #: 36
total cpu time spent up to now is 19.1 secs
Computing kpt #: 37
total cpu time spent up to now is 19.5 secs
Computing kpt #: 38
total cpu time spent up to now is 19.9 secs
Computing kpt #: 39
total cpu time spent up to now is 20.3 secs
Computing kpt #: 40
total cpu time spent up to now is 20.7 secs
Computing kpt #: 41
total cpu time spent up to now is 21.1 secs
Computing kpt #: 42
total cpu time spent up to now is 21.6 secs
Computing kpt #: 43
total cpu time spent up to now is 21.9 secs
Computing kpt #: 44
total cpu time spent up to now is 22.4 secs
Computing kpt #: 45
total cpu time spent up to now is 22.8 secs
Computing kpt #: 46
total cpu time spent up to now is 23.1 secs
Computing kpt #: 47
total cpu time spent up to now is 23.5 secs
Computing kpt #: 48
total cpu time spent up to now is 23.9 secs
Computing kpt #: 49
total cpu time spent up to now is 24.3 secs
Computing kpt #: 50
total cpu time spent up to now is 24.7 secs
Computing kpt #: 51
total cpu time spent up to now is 25.1 secs
Computing kpt #: 52
total cpu time spent up to now is 25.5 secs
Computing kpt #: 53
total cpu time spent up to now is 25.9 secs
Computing kpt #: 54
total cpu time spent up to now is 26.3 secs
Computing kpt #: 55
total cpu time spent up to now is 26.7 secs
Computing kpt #: 56
total cpu time spent up to now is 27.1 secs
Computing kpt #: 57
total cpu time spent up to now is 27.5 secs
Computing kpt #: 58
total cpu time spent up to now is 27.9 secs
Computing kpt #: 59
total cpu time spent up to now is 28.4 secs
Computing kpt #: 60
total cpu time spent up to now is 28.8 secs
Computing kpt #: 61
total cpu time spent up to now is 29.1 secs
Computing kpt #: 62
total cpu time spent up to now is 29.5 secs
Computing kpt #: 63
total cpu time spent up to now is 29.9 secs
Computing kpt #: 64
total cpu time spent up to now is 30.3 secs
Computing kpt #: 65
total cpu time spent up to now is 30.8 secs
Computing kpt #: 66
total cpu time spent up to now is 31.2 secs
Computing kpt #: 67
total cpu time spent up to now is 31.6 secs
Computing kpt #: 68
total cpu time spent up to now is 32.0 secs
Computing kpt #: 69
total cpu time spent up to now is 32.3 secs
Computing kpt #: 70
total cpu time spent up to now is 32.8 secs
Computing kpt #: 71
total cpu time spent up to now is 33.2 secs
Computing kpt #: 72
total cpu time spent up to now is 33.6 secs
Computing kpt #: 73
total cpu time spent up to now is 34.0 secs
Computing kpt #: 74
total cpu time spent up to now is 34.4 secs
Computing kpt #: 75
total cpu time spent up to now is 34.9 secs
Computing kpt #: 76
total cpu time spent up to now is 35.3 secs
Computing kpt #: 77
total cpu time spent up to now is 35.7 secs
Computing kpt #: 78
total cpu time spent up to now is 36.2 secs
Computing kpt #: 79
total cpu time spent up to now is 36.6 secs
Computing kpt #: 80
total cpu time spent up to now is 37.0 secs
Computing kpt #: 81
total cpu time spent up to now is 37.4 secs
Computing kpt #: 82
total cpu time spent up to now is 37.9 secs
Computing kpt #: 83
total cpu time spent up to now is 38.3 secs
Computing kpt #: 84
total cpu time spent up to now is 38.7 secs
Computing kpt #: 85
total cpu time spent up to now is 39.1 secs
Computing kpt #: 86
total cpu time spent up to now is 39.6 secs
Computing kpt #: 87
total cpu time spent up to now is 40.0 secs
Computing kpt #: 88
total cpu time spent up to now is 40.4 secs
Computing kpt #: 89
total cpu time spent up to now is 40.8 secs
Computing kpt #: 90
total cpu time spent up to now is 41.3 secs
Computing kpt #: 91
total cpu time spent up to now is 41.7 secs
Computing kpt #: 92
total cpu time spent up to now is 42.2 secs
Computing kpt #: 93
total cpu time spent up to now is 42.6 secs
Computing kpt #: 94
total cpu time spent up to now is 43.0 secs
Computing kpt #: 95
total cpu time spent up to now is 43.4 secs
Computing kpt #: 96
total cpu time spent up to now is 43.8 secs
Computing kpt #: 97
total cpu time spent up to now is 44.3 secs
Computing kpt #: 98
total cpu time spent up to now is 44.7 secs
Computing kpt #: 99
total cpu time spent up to now is 45.2 secs
Computing kpt #: 100
total cpu time spent up to now is 45.7 secs
Computing kpt #: 101
total cpu time spent up to now is 46.4 secs
Computing kpt #: 102
total cpu time spent up to now is 46.9 secs
Computing kpt #: 103
total cpu time spent up to now is 47.3 secs
Computing kpt #: 104
total cpu time spent up to now is 47.8 secs
Computing kpt #: 105
total cpu time spent up to now is 48.2 secs
Computing kpt #: 106
total cpu time spent up to now is 48.6 secs
Computing kpt #: 107
total cpu time spent up to now is 49.0 secs
Computing kpt #: 108
total cpu time spent up to now is 49.4 secs
Computing kpt #: 109
total cpu time spent up to now is 50.0 secs
Computing kpt #: 110
total cpu time spent up to now is 50.5 secs
Computing kpt #: 111
total cpu time spent up to now is 51.1 secs
Computing kpt #: 112
total cpu time spent up to now is 51.5 secs
Computing kpt #: 113
total cpu time spent up to now is 52.0 secs
Computing kpt #: 114
total cpu time spent up to now is 52.4 secs
Computing kpt #: 115
total cpu time spent up to now is 52.9 secs
Computing kpt #: 116
total cpu time spent up to now is 53.3 secs
Computing kpt #: 117
total cpu time spent up to now is 53.8 secs
Computing kpt #: 118
total cpu time spent up to now is 54.2 secs
Computing kpt #: 119
total cpu time spent up to now is 54.7 secs
Computing kpt #: 120
total cpu time spent up to now is 55.1 secs
Computing kpt #: 121
total cpu time spent up to now is 55.6 secs
Computing kpt #: 122
total cpu time spent up to now is 56.0 secs
Computing kpt #: 123
total cpu time spent up to now is 56.4 secs
Computing kpt #: 124
total cpu time spent up to now is 56.8 secs
Computing kpt #: 125
total cpu time spent up to now is 57.3 secs
Computing kpt #: 126
total cpu time spent up to now is 57.8 secs
Computing kpt #: 127
total cpu time spent up to now is 58.2 secs
Computing kpt #: 128
total cpu time spent up to now is 58.6 secs
Computing kpt #: 129
total cpu time spent up to now is 59.1 secs
Computing kpt #: 130
total cpu time spent up to now is 59.5 secs
Computing kpt #: 131
total cpu time spent up to now is 60.0 secs
Computing kpt #: 132
total cpu time spent up to now is 60.4 secs
Computing kpt #: 133
total cpu time spent up to now is 60.9 secs
Computing kpt #: 134
total cpu time spent up to now is 61.3 secs
Computing kpt #: 135
total cpu time spent up to now is 61.8 secs
Computing kpt #: 136
total cpu time spent up to now is 62.3 secs
Computing kpt #: 137
total cpu time spent up to now is 62.7 secs
Computing kpt #: 138
total cpu time spent up to now is 63.2 secs
Computing kpt #: 139
total cpu time spent up to now is 63.6 secs
Computing kpt #: 140
total cpu time spent up to now is 64.1 secs
Computing kpt #: 141
total cpu time spent up to now is 64.6 secs
Computing kpt #: 142
total cpu time spent up to now is 65.1 secs
Computing kpt #: 143
total cpu time spent up to now is 65.5 secs
Computing kpt #: 144
total cpu time spent up to now is 66.0 secs
Computing kpt #: 145
total cpu time spent up to now is 66.5 secs
Computing kpt #: 146
total cpu time spent up to now is 66.9 secs
Computing kpt #: 147
total cpu time spent up to now is 67.4 secs
Computing kpt #: 148
total cpu time spent up to now is 67.9 secs
Computing kpt #: 149
total cpu time spent up to now is 68.3 secs
Computing kpt #: 150
total cpu time spent up to now is 68.8 secs
Computing kpt #: 151
total cpu time spent up to now is 69.3 secs
Computing kpt #: 152
total cpu time spent up to now is 69.8 secs
Computing kpt #: 153
total cpu time spent up to now is 70.2 secs
Computing kpt #: 154
total cpu time spent up to now is 70.7 secs
Computing kpt #: 155
total cpu time spent up to now is 71.1 secs
Computing kpt #: 156
total cpu time spent up to now is 71.6 secs
Computing kpt #: 157
total cpu time spent up to now is 72.0 secs
Computing kpt #: 158
total cpu time spent up to now is 72.5 secs
Computing kpt #: 159
total cpu time spent up to now is 73.0 secs
Computing kpt #: 160
total cpu time spent up to now is 73.5 secs
Computing kpt #: 161
total cpu time spent up to now is 74.0 secs
Computing kpt #: 162
total cpu time spent up to now is 74.5 secs
Computing kpt #: 163
total cpu time spent up to now is 74.9 secs
Computing kpt #: 164
total cpu time spent up to now is 75.4 secs
Computing kpt #: 165
total cpu time spent up to now is 75.9 secs
Computing kpt #: 166
total cpu time spent up to now is 76.3 secs
Computing kpt #: 167
total cpu time spent up to now is 76.8 secs
Computing kpt #: 168
total cpu time spent up to now is 77.3 secs
Computing kpt #: 169
total cpu time spent up to now is 77.8 secs
Computing kpt #: 170
total cpu time spent up to now is 78.3 secs
Computing kpt #: 171
total cpu time spent up to now is 78.7 secs
Computing kpt #: 172
total cpu time spent up to now is 79.2 secs
Computing kpt #: 173
total cpu time spent up to now is 79.7 secs
Computing kpt #: 174
total cpu time spent up to now is 80.2 secs
Computing kpt #: 175
total cpu time spent up to now is 80.7 secs
Computing kpt #: 176
total cpu time spent up to now is 81.2 secs
Computing kpt #: 177
total cpu time spent up to now is 81.7 secs
Computing kpt #: 178
total cpu time spent up to now is 82.2 secs
Computing kpt #: 179
total cpu time spent up to now is 82.7 secs
Computing kpt #: 180
total cpu time spent up to now is 83.2 secs
Computing kpt #: 181
total cpu time spent up to now is 83.7 secs
Computing kpt #: 182
total cpu time spent up to now is 84.2 secs
Computing kpt #: 183
total cpu time spent up to now is 84.6 secs
Computing kpt #: 184
total cpu time spent up to now is 85.1 secs
Computing kpt #: 185
total cpu time spent up to now is 85.6 secs
Computing kpt #: 186
total cpu time spent up to now is 86.0 secs
Computing kpt #: 187
total cpu time spent up to now is 86.5 secs
Computing kpt #: 188
total cpu time spent up to now is 87.0 secs
Computing kpt #: 189
total cpu time spent up to now is 87.5 secs
Computing kpt #: 190
total cpu time spent up to now is 87.9 secs
Computing kpt #: 191
total cpu time spent up to now is 88.4 secs
Computing kpt #: 192
total cpu time spent up to now is 88.8 secs
Computing kpt #: 193
total cpu time spent up to now is 89.3 secs
Computing kpt #: 194
total cpu time spent up to now is 89.7 secs
Computing kpt #: 195
total cpu time spent up to now is 90.2 secs
Computing kpt #: 196
total cpu time spent up to now is 90.7 secs
Computing kpt #: 197
total cpu time spent up to now is 91.1 secs
Computing kpt #: 198
total cpu time spent up to now is 91.5 secs
Computing kpt #: 199
total cpu time spent up to now is 91.8 secs
Computing kpt #: 200
total cpu time spent up to now is 92.3 secs
Computing kpt #: 201
total cpu time spent up to now is 92.7 secs
Computing kpt #: 202
total cpu time spent up to now is 93.2 secs
Computing kpt #: 203
total cpu time spent up to now is 93.6 secs
Computing kpt #: 204
total cpu time spent up to now is 94.0 secs
Computing kpt #: 205
total cpu time spent up to now is 94.5 secs
Computing kpt #: 206
total cpu time spent up to now is 94.9 secs
Computing kpt #: 207
total cpu time spent up to now is 95.3 secs
Computing kpt #: 208
total cpu time spent up to now is 95.7 secs
Computing kpt #: 209
total cpu time spent up to now is 96.1 secs
Computing kpt #: 210
total cpu time spent up to now is 96.6 secs
Computing kpt #: 211
total cpu time spent up to now is 97.0 secs
Computing kpt #: 212
total cpu time spent up to now is 97.4 secs
Computing kpt #: 213
total cpu time spent up to now is 97.9 secs
Computing kpt #: 214
total cpu time spent up to now is 98.3 secs
Computing kpt #: 215
total cpu time spent up to now is 98.7 secs
Computing kpt #: 216
total cpu time spent up to now is 99.1 secs
Computing kpt #: 217
total cpu time spent up to now is 99.5 secs
Computing kpt #: 218
total cpu time spent up to now is 99.9 secs
Computing kpt #: 219
total cpu time spent up to now is 100.3 secs
Computing kpt #: 220
total cpu time spent up to now is 100.7 secs
Computing kpt #: 221
total cpu time spent up to now is 101.1 secs
Computing kpt #: 222
total cpu time spent up to now is 101.5 secs
Computing kpt #: 223
total cpu time spent up to now is 101.9 secs
Computing kpt #: 224
total cpu time spent up to now is 102.3 secs
Computing kpt #: 225
total cpu time spent up to now is 102.8 secs
Computing kpt #: 226
total cpu time spent up to now is 103.3 secs
Computing kpt #: 227
total cpu time spent up to now is 103.7 secs
Computing kpt #: 228
total cpu time spent up to now is 104.2 secs
Computing kpt #: 229
total cpu time spent up to now is 104.6 secs
Computing kpt #: 230
total cpu time spent up to now is 105.1 secs
Computing kpt #: 231
total cpu time spent up to now is 105.6 secs
Computing kpt #: 232
total cpu time spent up to now is 106.2 secs
Computing kpt #: 233
total cpu time spent up to now is 106.6 secs
Computing kpt #: 234
total cpu time spent up to now is 107.0 secs
Computing kpt #: 235
total cpu time spent up to now is 107.4 secs
Computing kpt #: 236
total cpu time spent up to now is 107.8 secs
Computing kpt #: 237
total cpu time spent up to now is 108.3 secs
Computing kpt #: 238
total cpu time spent up to now is 108.7 secs
Computing kpt #: 239
total cpu time spent up to now is 109.0 secs
Computing kpt #: 240
total cpu time spent up to now is 109.5 secs
Computing kpt #: 241
total cpu time spent up to now is 109.9 secs
Computing kpt #: 242
total cpu time spent up to now is 110.3 secs
Computing kpt #: 243
total cpu time spent up to now is 110.7 secs
Computing kpt #: 244
total cpu time spent up to now is 111.1 secs
Computing kpt #: 245
total cpu time spent up to now is 111.5 secs
Computing kpt #: 246
total cpu time spent up to now is 112.0 secs
Computing kpt #: 247
total cpu time spent up to now is 112.4 secs
Computing kpt #: 248
total cpu time spent up to now is 112.8 secs
Computing kpt #: 249
total cpu time spent up to now is 113.2 secs
Computing kpt #: 250
total cpu time spent up to now is 113.6 secs
Computing kpt #: 251
total cpu time spent up to now is 114.0 secs
Computing kpt #: 252
total cpu time spent up to now is 114.5 secs
Computing kpt #: 253
total cpu time spent up to now is 114.9 secs
Computing kpt #: 254
total cpu time spent up to now is 115.4 secs
Computing kpt #: 255
total cpu time spent up to now is 115.8 secs
Computing kpt #: 256
total cpu time spent up to now is 116.2 secs
Computing kpt #: 257
total cpu time spent up to now is 116.6 secs
Computing kpt #: 258
total cpu time spent up to now is 117.1 secs
Computing kpt #: 259
total cpu time spent up to now is 117.5 secs
Computing kpt #: 260
total cpu time spent up to now is 118.0 secs
Computing kpt #: 261
total cpu time spent up to now is 118.5 secs
Computing kpt #: 262
total cpu time spent up to now is 118.9 secs
Computing kpt #: 263
total cpu time spent up to now is 119.3 secs
Computing kpt #: 264
total cpu time spent up to now is 119.8 secs
Computing kpt #: 265
total cpu time spent up to now is 120.3 secs
Computing kpt #: 266
total cpu time spent up to now is 120.7 secs
Computing kpt #: 267
total cpu time spent up to now is 121.1 secs
Computing kpt #: 268
total cpu time spent up to now is 121.6 secs
Computing kpt #: 269
total cpu time spent up to now is 122.0 secs
Computing kpt #: 270
total cpu time spent up to now is 122.5 secs
Computing kpt #: 271
total cpu time spent up to now is 122.9 secs
Computing kpt #: 272
total cpu time spent up to now is 123.4 secs
Computing kpt #: 273
total cpu time spent up to now is 123.8 secs
Computing kpt #: 274
total cpu time spent up to now is 124.2 secs
Computing kpt #: 275
total cpu time spent up to now is 124.7 secs
Computing kpt #: 276
total cpu time spent up to now is 125.1 secs
Computing kpt #: 277
total cpu time spent up to now is 125.5 secs
Computing kpt #: 278
total cpu time spent up to now is 125.9 secs
Computing kpt #: 279
total cpu time spent up to now is 126.3 secs
Computing kpt #: 280
total cpu time spent up to now is 126.8 secs
Computing kpt #: 281
total cpu time spent up to now is 127.2 secs
Computing kpt #: 282
total cpu time spent up to now is 127.7 secs
Computing kpt #: 283
total cpu time spent up to now is 128.1 secs
Computing kpt #: 284
total cpu time spent up to now is 128.6 secs
Computing kpt #: 285
total cpu time spent up to now is 129.0 secs
Computing kpt #: 286
total cpu time spent up to now is 129.4 secs
Computing kpt #: 287
total cpu time spent up to now is 129.8 secs
Computing kpt #: 288
total cpu time spent up to now is 130.3 secs
Computing kpt #: 289
total cpu time spent up to now is 130.7 secs
Computing kpt #: 290
total cpu time spent up to now is 131.2 secs
Computing kpt #: 291
total cpu time spent up to now is 131.6 secs
Computing kpt #: 292
total cpu time spent up to now is 132.1 secs
Computing kpt #: 293
total cpu time spent up to now is 132.5 secs
Computing kpt #: 294
total cpu time spent up to now is 133.0 secs
Computing kpt #: 295
total cpu time spent up to now is 133.5 secs
Computing kpt #: 296
total cpu time spent up to now is 133.9 secs
Computing kpt #: 297
total cpu time spent up to now is 134.3 secs
Computing kpt #: 298
total cpu time spent up to now is 134.7 secs
Computing kpt #: 299
total cpu time spent up to now is 135.1 secs
Computing kpt #: 300
total cpu time spent up to now is 135.5 secs
Computing kpt #: 301
total cpu time spent up to now is 136.0 secs
Computing kpt #: 302
total cpu time spent up to now is 136.4 secs
Computing kpt #: 303
total cpu time spent up to now is 136.9 secs
Computing kpt #: 304
total cpu time spent up to now is 137.3 secs
Computing kpt #: 305
total cpu time spent up to now is 137.7 secs
Computing kpt #: 306
total cpu time spent up to now is 138.1 secs
Computing kpt #: 307
total cpu time spent up to now is 138.5 secs
Computing kpt #: 308
total cpu time spent up to now is 139.0 secs
Computing kpt #: 309
total cpu time spent up to now is 139.4 secs
Computing kpt #: 310
total cpu time spent up to now is 139.8 secs
Computing kpt #: 311
total cpu time spent up to now is 140.3 secs
Computing kpt #: 312
total cpu time spent up to now is 140.7 secs
Computing kpt #: 313
total cpu time spent up to now is 141.2 secs
Computing kpt #: 314
total cpu time spent up to now is 141.6 secs
Computing kpt #: 315
total cpu time spent up to now is 142.0 secs
Computing kpt #: 316
total cpu time spent up to now is 142.5 secs
Computing kpt #: 317
total cpu time spent up to now is 142.9 secs
Computing kpt #: 318
total cpu time spent up to now is 143.3 secs
Computing kpt #: 319
total cpu time spent up to now is 143.7 secs
Computing kpt #: 320
total cpu time spent up to now is 144.2 secs
Computing kpt #: 321
total cpu time spent up to now is 144.7 secs
Computing kpt #: 322
total cpu time spent up to now is 145.2 secs
Computing kpt #: 323
total cpu time spent up to now is 145.7 secs
Computing kpt #: 324
total cpu time spent up to now is 146.3 secs
Computing kpt #: 325
total cpu time spent up to now is 146.7 secs
Computing kpt #: 326
total cpu time spent up to now is 147.2 secs
Computing kpt #: 327
total cpu time spent up to now is 147.6 secs
Computing kpt #: 328
total cpu time spent up to now is 148.0 secs
Computing kpt #: 329
total cpu time spent up to now is 148.4 secs
Computing kpt #: 330
total cpu time spent up to now is 148.8 secs
Computing kpt #: 331
total cpu time spent up to now is 149.3 secs
Computing kpt #: 332
total cpu time spent up to now is 149.7 secs
Computing kpt #: 333
total cpu time spent up to now is 150.1 secs
Computing kpt #: 334
total cpu time spent up to now is 150.5 secs
Computing kpt #: 335
total cpu time spent up to now is 150.9 secs
Computing kpt #: 336
total cpu time spent up to now is 151.3 secs
Computing kpt #: 337
total cpu time spent up to now is 151.6 secs
Computing kpt #: 338
total cpu time spent up to now is 152.0 secs
Computing kpt #: 339
total cpu time spent up to now is 152.4 secs
Computing kpt #: 340
total cpu time spent up to now is 152.8 secs
Computing kpt #: 341
total cpu time spent up to now is 153.2 secs
Computing kpt #: 342
total cpu time spent up to now is 153.6 secs
Computing kpt #: 343
total cpu time spent up to now is 154.0 secs
Computing kpt #: 344
total cpu time spent up to now is 154.4 secs
Computing kpt #: 345
total cpu time spent up to now is 154.8 secs
Computing kpt #: 346
total cpu time spent up to now is 155.2 secs
Computing kpt #: 347
total cpu time spent up to now is 155.5 secs
Computing kpt #: 348
total cpu time spent up to now is 156.0 secs
Computing kpt #: 349
total cpu time spent up to now is 156.3 secs
Computing kpt #: 350
total cpu time spent up to now is 156.8 secs
Computing kpt #: 351
total cpu time spent up to now is 157.2 secs
Computing kpt #: 352
total cpu time spent up to now is 157.5 secs
ethr = 3.85E-08, avg # of iterations = 14.9
total cpu time spent up to now is 157.5 secs
End of band structure calculation
k = 0.0000 0.0000 0.0000 ( 6423 PWs) bands (ev):
-68.8782 -68.8782 -39.4931 -39.4931 -36.6554 -36.6554 -36.2192 -36.2192
-35.5950 -35.5950 -35.5950 -35.5950 1.5553 1.5553 5.9725 5.9725
5.9725 5.9725 6.1472 6.1472 7.0954 7.0954 7.0954 7.0954
12.5564 12.5564 12.6757 12.6757 12.6757 12.6757 14.5774 14.5774
14.5884 14.5884
k = 0.0094-0.0054 0.0077 ( 6423 PWs) bands (ev):
-68.8782 -68.8782 -39.4931 -39.4931 -36.6554 -36.6554 -36.2192 -36.2192
-35.5950 -35.5950 -35.5950 -35.5950 1.5565 1.5565 5.9722 5.9722
5.9731 5.9731 6.1473 6.1473 7.0939 7.0939 7.0959 7.0959
12.5521 12.5521 12.6691 12.6691 12.6743 12.6743 14.5734 14.5734
14.5869 14.5869
k = 0.0189-0.0109 0.0154 ( 6415 PWs) bands (ev):
-68.8782 -68.8782 -39.4931 -39.4931 -36.6554 -36.6554 -36.2193 -36.2193
-35.5950 -35.5950 -35.5950 -35.5950 1.5601 1.5601 5.9720 5.9720
5.9743 5.9743 6.1478 6.1478 7.0901 7.0901 7.0969 7.0969
12.5378 12.5378 12.6495 12.6495 12.6715 12.6715 14.5518 14.5518
14.5927 14.5927
k = 0.0283-0.0163 0.0231 ( 6407 PWs) bands (ev):
-68.8782 -68.8782 -39.4931 -39.4931 -36.6554 -36.6554 -36.2193 -36.2193
-35.5950 -35.5950 -35.5949 -35.5949 1.5660 1.5660 5.9717 5.9717
5.9761 5.9761 6.1486 6.1486 7.0839 7.0839 7.0984 7.0984
12.5107 12.5107 12.6174 12.6174 12.6709 12.6709 14.5141 14.5141
14.6055 14.6055
k = 0.0377-0.0218 0.0308 ( 6419 PWs) bands (ev):
-68.8782 -68.8782 -39.4931 -39.4931 -36.6554 -36.6554 -36.2194 -36.2194
-35.5950 -35.5950 -35.5949 -35.5949 1.5743 1.5743 5.9714 5.9714
5.9786 5.9786 6.1498 6.1498 7.0753 7.0753 7.1006 7.1006
12.4695 12.4695 12.5736 12.5736 12.6747 12.6747 14.4624 14.4624
14.6238 14.6238
k = 0.0472-0.0272 0.0385 ( 6431 PWs) bands (ev):
-68.8782 -68.8782 -39.4931 -39.4931 -36.6554 -36.6554 -36.2194 -36.2194
-35.5950 -35.5950 -35.5949 -35.5949 1.5849 1.5849 5.9709 5.9709
5.9818 5.9818 6.1515 6.1515 7.0643 7.0643 7.1033 7.1033
12.4152 12.4152 12.5190 12.5190 12.6833 12.6833 14.3979 14.3979
14.6473 14.6473
k = 0.0566-0.0327 0.0462 ( 6439 PWs) bands (ev):
-68.8782 -68.8782 -39.4932 -39.4932 -36.6554 -36.6554 -36.2195 -36.2195
-35.5950 -35.5950 -35.5948 -35.5948 1.5979 1.5979 5.9701 5.9701
5.9858 5.9858 6.1536 6.1536 7.0511 7.0511 7.1066 7.1066
12.3495 12.3495 12.4546 12.4546 12.6961 12.6961 14.3214 14.3214
14.6757 14.6757
k = 0.0660-0.0381 0.0539 ( 6439 PWs) bands (ev):
-68.8782 -68.8782 -39.4932 -39.4932 -36.6553 -36.6553 -36.2196 -36.2196
-35.5950 -35.5950 -35.5948 -35.5948 1.6132 1.6132 5.9691 5.9691
5.9904 5.9904 6.1562 6.1562 7.0358 7.0358 7.1106 7.1106
12.2742 12.2742 12.3817 12.3817 12.7124 12.7124 14.2335 14.2335
14.7086 14.7086
k = 0.0755-0.0436 0.0616 ( 6443 PWs) bands (ev):
-68.8782 -68.8782 -39.4932 -39.4932 -36.6553 -36.6553 -36.2197 -36.2197
-35.5951 -35.5951 -35.5947 -35.5947 1.6309 1.6309 5.9678 5.9678
5.9959 5.9959 6.1595 6.1595 7.0185 7.0185 7.1151 7.1151
12.1911 12.1911 12.3013 12.3013 12.7317 12.7317 14.1346 14.1346
14.7457 14.7457
k = 0.0849-0.0490 0.0693 ( 6435 PWs) bands (ev):
-68.8782 -68.8782 -39.4932 -39.4932 -36.6553 -36.6553 -36.2199 -36.2199
-35.5951 -35.5951 -35.5946 -35.5946 1.6510 1.6510 5.9661 5.9661
6.0020 6.0020 6.1635 6.1635 6.9993 6.9993 7.1201 7.1201
12.1014 12.1014 12.2145 12.2145 12.7536 12.7536 14.0251 14.0251
14.7869 14.7869
k = 0.0943-0.0545 0.0770 ( 6443 PWs) bands (ev):
-68.8782 -68.8782 -39.4933 -39.4933 -36.6552 -36.6552 -36.2200 -36.2200
-35.5951 -35.5951 -35.5945 -35.5945 1.6733 1.6733 5.9639 5.9639
6.0090 6.0090 6.1683 6.1683 6.9784 6.9784 7.1257 7.1257
12.0063 12.0063 12.1223 12.1223 12.7779 12.7779 13.9053 13.9053
14.8319 14.8319
k = 0.1038-0.0599 0.0847 ( 6451 PWs) bands (ev):
-68.8782 -68.8782 -39.4933 -39.4933 -36.6552 -36.6552 -36.2202 -36.2202
-35.5951 -35.5951 -35.5944 -35.5944 1.6980 1.6980 5.9612 5.9612
6.0167 6.0167 6.1738 6.1738 6.9560 6.9560 7.1319 7.1319
11.9068 11.9068 12.0255 12.0255 12.8041 12.8041 13.7757 13.7757
14.8806 14.8806
k = 0.1132-0.0654 0.0924 ( 6447 PWs) bands (ev):
-68.8782 -68.8782 -39.4933 -39.4933 -36.6551 -36.6551 -36.2203 -36.2203
-35.5952 -35.5952 -35.5943 -35.5943 1.7250 1.7250 5.9580 5.9580
6.0252 6.0252 6.1803 6.1803 6.9322 6.9322 7.1386 7.1386
11.8038 11.8038 11.9250 11.9250 12.8320 12.8320 13.6370 13.6370
14.9327 14.9327
k = 0.1226-0.0708 0.1001 ( 6443 PWs) bands (ev):
-68.8782 -68.8782 -39.4934 -39.4934 -36.6551 -36.6551 -36.2205 -36.2205
-35.5952 -35.5952 -35.5942 -35.5942 1.7542 1.7542 5.9541 5.9541
6.0346 6.0346 6.1878 6.1878 6.9073 6.9073 7.1457 7.1457
11.6979 11.6979 11.8215 11.8215 12.8612 12.8612 13.4903 13.4903
14.9875 14.9875
k = 0.1321-0.0763 0.1078 ( 6443 PWs) bands (ev):
-68.8782 -68.8782 -39.4934 -39.4934 -36.6550 -36.6550 -36.2207 -36.2207
-35.5952 -35.5952 -35.5941 -35.5941 1.7858 1.7858 5.9494 5.9494
6.0447 6.0447 6.1963 6.1963 6.8815 6.8815 7.1533 7.1533
11.5898 11.5898 11.7154 11.7154 12.8909 12.8909 13.3369 13.3369
15.0430 15.0430
k = 0.1415-0.0817 0.1155 ( 6447 PWs) bands (ev):
-68.8782 -68.8782 -39.4934 -39.4934 -36.6550 -36.6550 -36.2209 -36.2209
-35.5953 -35.5953 -35.5940 -35.5940 1.8196 1.8196 5.9441 5.9441
6.0556 6.0556 6.2058 6.2058 6.8549 6.8549 7.1614 7.1614
11.4799 11.4799 11.6074 11.6074 12.9189 12.9189 13.1799 13.1799
15.0825 15.0825
k = 0.1509-0.0871 0.1232 ( 6447 PWs) bands (ev):
-68.8782 -68.8782 -39.4935 -39.4935 -36.6549 -36.6549 -36.2211 -36.2211
-35.5953 -35.5953 -35.5939 -35.5939 1.8557 1.8557 5.9379 5.9379
6.0674 6.0674 6.2165 6.2165 6.8278 6.8278 7.1699 7.1699
11.3688 11.3688 11.4979 11.4979 12.9273 12.9273 13.0382 13.0382
15.0521 15.0521
k = 0.1604-0.0926 0.1309 ( 6451 PWs) bands (ev):
-68.8782 -68.8782 -39.4935 -39.4935 -36.6548 -36.6548 -36.2213 -36.2213
-35.5953 -35.5953 -35.5938 -35.5938 1.8940 1.8940 5.9308 5.9308
6.0800 6.0800 6.2282 6.2282 6.8005 6.8005 7.1788 7.1788
11.2567 11.2567 11.3872 11.3872 12.8156 12.8156 13.0128 13.0128
14.9952 14.9952
k = 0.1698-0.0980 0.1387 ( 6451 PWs) bands (ev):
-68.8781 -68.8781 -39.4936 -39.4936 -36.6547 -36.6547 -36.2216 -36.2216
-35.5954 -35.5954 -35.5936 -35.5936 1.9344 1.9344 5.9228 5.9228
6.0934 6.0934 6.2411 6.2411 6.7732 6.7732 7.1881 7.1881
11.1441 11.1441 11.2759 11.2759 12.6484 12.6484 13.0401 13.0401
14.9386 14.9386
k = 0.1792-0.1035 0.1464 ( 6458 PWs) bands (ev):
-68.8781 -68.8781 -39.4936 -39.4936 -36.6547 -36.6547 -36.2218 -36.2218
-35.5954 -35.5954 -35.5935 -35.5935 1.9771 1.9771 5.9137 5.9137
6.1077 6.1077 6.2552 6.2552 6.7462 6.7462 7.1978 7.1978
11.0312 11.0312 11.1640 11.1640 12.4732 12.4732 13.0732 13.0732
14.8852 14.8852
k = 0.1887-0.1089 0.1541 ( 6458 PWs) bands (ev):
-68.8781 -68.8781 -39.4937 -39.4937 -36.6546 -36.6546 -36.2221 -36.2221
-35.5955 -35.5955 -35.5934 -35.5934 2.0219 2.0219 5.9036 5.9036
6.1227 6.1227 6.2704 6.2704 6.7198 6.7198 7.2077 7.2077
10.9182 10.9182 11.0519 11.0519 12.2948 12.2948 13.1078 13.1078
14.8353 14.8353
k = 0.1981-0.1144 0.1618 ( 6450 PWs) bands (ev):
-68.8781 -68.8781 -39.4937 -39.4937 -36.6545 -36.6545 -36.2223 -36.2223
-35.5955 -35.5955 -35.5932 -35.5932 2.0688 2.0688 5.8922 5.8922
6.1385 6.1385 6.2867 6.2867 6.6943 6.6943 7.2180 7.2180
10.8054 10.8054 10.9399 10.9399 12.1147 12.1147 13.1431 13.1431
14.7888 14.7888
k = 0.2075-0.1198 0.1695 ( 6450 PWs) bands (ev):
-68.8781 -68.8781 -39.4938 -39.4938 -36.6544 -36.6544 -36.2226 -36.2226
-35.5955 -35.5955 -35.5931 -35.5931 2.1179 2.1179 5.8795 5.8795
6.1550 6.1550 6.3042 6.3042 6.6701 6.6701 7.2284 7.2284
10.6929 10.6929 10.8281 10.8281 11.9337 11.9337 13.1785 13.1785
14.7453 14.7453
k = 0.2170-0.1253 0.1772 ( 6450 PWs) bands (ev):
-68.8781 -68.8781 -39.4938 -39.4938 -36.6543 -36.6543 -36.2228 -36.2228
-35.5956 -35.5956 -35.5930 -35.5930 2.1689 2.1689 5.8654 5.8654
6.1723 6.1723 6.3229 6.3229 6.6475 6.6475 7.2392 7.2392
10.5809 10.5809 10.7167 10.7167 11.7524 11.7524 13.2140 13.2140
14.7047 14.7047
k = 0.2264-0.1307 0.1849 ( 6446 PWs) bands (ev):
-68.8781 -68.8781 -39.4939 -39.4939 -36.6542 -36.6542 -36.2231 -36.2231
-35.5956 -35.5956 -35.5928 -35.5928 2.2219 2.2219 5.8497 5.8497
6.1901 6.1901 6.3426 6.3426 6.6270 6.6270 7.2501 7.2501
10.4697 10.4697 10.6060 10.6060 11.5715 11.5715 13.2492 13.2492
14.6666 14.6666
k = 0.2358-0.1362 0.1926 ( 6446 PWs) bands (ev):
-68.8781 -68.8781 -39.4939 -39.4939 -36.6541 -36.6541 -36.2234 -36.2234
-35.5957 -35.5957 -35.5927 -35.5927 2.2769 2.2769 5.8323 5.8323
6.2084 6.2084 6.3635 6.3635 6.6089 6.6089 7.2611 7.2611
10.3592 10.3592 10.4959 10.4959 11.3913 11.3913 13.2842 13.2842
14.6308 14.6308
k = 0.2453-0.1416 0.2003 ( 6454 PWs) bands (ev):
-68.8781 -68.8781 -39.4940 -39.4940 -36.6540 -36.6540 -36.2237 -36.2237
-35.5957 -35.5957 -35.5925 -35.5925 2.3338 2.3338 5.8130 5.8130
6.2270 6.2270 6.3854 6.3854 6.5937 6.5937 7.2723 7.2723
10.2496 10.2496 10.3867 10.3867 11.2122 11.2122 13.3186 13.3186
14.5972 14.5972
k = 0.2547-0.1471 0.2080 ( 6454 PWs) bands (ev):
-68.8781 -68.8781 -39.4941 -39.4941 -36.6539 -36.6539 -36.2239 -36.2239
-35.5958 -35.5958 -35.5924 -35.5924 2.3926 2.3926 5.7919 5.7919
6.2458 6.2458 6.4082 6.4082 6.5819 6.5819 7.2836 7.2836
10.1411 10.1411 10.2786 10.2786 11.0347 11.0347 13.3526 13.3526
14.5655 14.5655
k = 0.2642-0.1525 0.2157 ( 6442 PWs) bands (ev):
-68.8781 -68.8781 -39.4941 -39.4941 -36.6538 -36.6538 -36.2242 -36.2242
-35.5958 -35.5958 -35.5923 -35.5923 2.4531 2.4531 5.7688 5.7688
6.2646 6.2646 6.4318 6.4318 6.5741 6.5741 7.2949 7.2949
10.0337 10.0337 10.1715 10.1715 10.8589 10.8589 13.3859 13.3859
14.5355 14.5355
k = 0.2736-0.1580 0.2234 ( 6438 PWs) bands (ev):
-68.8781 -68.8781 -39.4942 -39.4942 -36.6537 -36.6537 -36.2245 -36.2245
-35.5959 -35.5959 -35.5921 -35.5921 2.5153 2.5153 5.7436 5.7436
6.2831 6.2831 6.4559 6.4559 6.5709 6.5709 7.3062 7.3062
9.9275 9.9275 10.0657 10.0657 10.6853 10.6853 13.4186 13.4186
14.5071 14.5071
k = 0.2830-0.1634 0.2311 ( 6438 PWs) bands (ev):
-68.8781 -68.8781 -39.4942 -39.4942 -36.6536 -36.6536 -36.2247 -36.2247
-35.5959 -35.5959 -35.5920 -35.5920 2.5792 2.5792 5.7163 5.7163
6.3010 6.3010 6.4803 6.4803 6.5731 6.5731 7.3174 7.3174
9.8226 9.8226 9.9612 9.9612 10.5142 10.5142 13.4505 13.4505
14.4802 14.4802
k = 0.2925-0.1688 0.2388 ( 6438 PWs) bands (ev):
-68.8781 -68.8781 -39.4943 -39.4943 -36.6535 -36.6535 -36.2250 -36.2250
-35.5959 -35.5959 -35.5919 -35.5919 2.6446 2.6446 5.6869 5.6869
6.3182 6.3182 6.5045 6.5045 6.5812 6.5812 7.3287 7.3287
9.7190 9.7190 9.8581 9.8581 10.3458 10.3458 13.4817 13.4817
14.4547 14.4547
k = 0.3019-0.1743 0.2465 ( 6430 PWs) bands (ev):
-68.8781 -68.8781 -39.4943 -39.4943 -36.6534 -36.6534 -36.2253 -36.2253
-35.5960 -35.5960 -35.5917 -35.5917 2.7114 2.7114 5.6556 5.6556
6.3347 6.3347 6.5282 6.5282 6.5956 6.5956 7.3398 7.3398
9.6168 9.6168 9.7565 9.7565 10.1804 10.1804 13.5121 13.5121
14.4303 14.4303
k = 0.3113-0.1797 0.2542 ( 6442 PWs) bands (ev):
-68.8781 -68.8781 -39.4944 -39.4944 -36.6533 -36.6533 -36.2255 -36.2255
-35.5960 -35.5960 -35.5916 -35.5916 2.7796 2.7796 5.6222 5.6222
6.3504 6.3504 6.5516 6.5516 6.6161 6.6161 7.3508 7.3508
9.5160 9.5160 9.6566 9.6566 10.0185 10.0185 13.5416 13.5416
14.4071 14.4071
k = 0.3208-0.1852 0.2619 ( 6450 PWs) bands (ev):
-68.8781 -68.8781 -39.4944 -39.4944 -36.6532 -36.6532 -36.2258 -36.2258
-35.5961 -35.5961 -35.5915 -35.5915 2.8489 2.8489 5.5870 5.5870
6.3658 6.3658 6.5754 6.5754 6.6414 6.6414 7.3616 7.3616
9.4166 9.4166 9.5584 9.5584 9.8604 9.8604 13.5703 13.5703
14.3848 14.3848
k = 0.3302-0.1906 0.2696 ( 6458 PWs) bands (ev):
-68.8781 -68.8781 -39.4945 -39.4945 -36.6531 -36.6531 -36.2261 -36.2261
-35.5961 -35.5961 -35.5914 -35.5914 2.9194 2.9194 5.5499 5.5499
6.3810 6.3810 6.6006 6.6006 6.6704 6.6704 7.3722 7.3722
9.3185 9.3185 9.4620 9.4620 9.7064 9.7064 13.5981 13.5981
14.3636 14.3636
k = 0.3396-0.1961 0.2773 ( 6462 PWs) bands (ev):
-68.8781 -68.8781 -39.4945 -39.4945 -36.6530 -36.6530 -36.2263 -36.2263
-35.5962 -35.5962 -35.5913 -35.5913 2.9907 2.9907 5.5112 5.5112
6.3967 6.3967 6.6275 6.6275 6.7019 6.7019 7.3826 7.3826
9.2216 9.2216 9.3675 9.3675 9.5573 9.5573 13.6251 13.6251
14.3431 14.3431
k = 0.3491-0.2015 0.2850 ( 6454 PWs) bands (ev):
-68.8781 -68.8781 -39.4945 -39.4945 -36.6529 -36.6529 -36.2265 -36.2265
-35.5962 -35.5962 -35.5912 -35.5912 3.0628 3.0628 5.4709 5.4709
6.4131 6.4131 6.6561 6.6561 6.7353 6.7353 7.3927 7.3927
9.1257 9.1257 9.2748 9.2748 9.4137 9.4137 13.6511 13.6511
14.3235 14.3235
k = 0.3585-0.2070 0.2927 ( 6458 PWs) bands (ev):
-68.8781 -68.8781 -39.4946 -39.4946 -36.6529 -36.6529 -36.2268 -36.2268
-35.5962 -35.5962 -35.5911 -35.5911 3.1354 3.1354 5.4291 5.4292
6.4306 6.4306 6.6865 6.6865 6.7701 6.7701 7.4026 7.4026
9.0302 9.0302 9.1841 9.1841 9.2767 9.2767 13.6763 13.6763
14.3045 14.3045
k = 0.3679-0.2124 0.3004 ( 6454 PWs) bands (ev):
-68.8781 -68.8781 -39.4946 -39.4946 -36.6528 -36.6528 -36.2270 -36.2270
-35.5963 -35.5963 -35.5910 -35.5910 3.2084 3.2084 5.3861 5.3861
6.4494 6.4494 6.7181 6.7181 6.8060 6.8060 7.4121 7.4121
8.9345 8.9345 9.0947 9.0947 9.1482 9.1482 13.7007 13.7007
14.2863 14.2863
k = 0.3774-0.2179 0.3081 ( 6446 PWs) bands (ev):
-68.8781 -68.8781 -39.4947 -39.4947 -36.6527 -36.6527 -36.2272 -36.2272
-35.5963 -35.5963 -35.5909 -35.5909 3.2814 3.2814 5.3419 5.3419
6.4696 6.4696 6.7509 6.7509 6.8428 6.8428 7.4214 7.4214
8.8374 8.8374 9.0034 9.0034 9.0332 9.0332 13.7241 13.7241
14.2687 14.2687
k = 0.3868-0.2233 0.3158 ( 6446 PWs) bands (ev):
-68.8781 -68.8781 -39.4947 -39.4947 -36.6526 -36.6526 -36.2274 -36.2274
-35.5963 -35.5963 -35.5908 -35.5908 3.3542 3.3542 5.2967 5.2967
6.4915 6.4915 6.7844 6.7844 6.8801 6.8801 7.4303 7.4303
8.7383 8.7383 8.9047 8.9047 8.9389 8.9389 13.7466 13.7466
14.2516 14.2516
k = 0.3962-0.2288 0.3235 ( 6462 PWs) bands (ev):
-68.8781 -68.8781 -39.4947 -39.4947 -36.6525 -36.6525 -36.2276 -36.2276
-35.5964 -35.5964 -35.5907 -35.5907 3.4265 3.4265 5.2508 5.2508
6.5148 6.5148 6.8183 6.8183 6.9178 6.9178 7.4389 7.4389
8.6372 8.6372 8.8078 8.8078 8.8566 8.8566 13.7682 13.7682
14.2352 14.2352
k = 0.4057-0.2342 0.3312 ( 6462 PWs) bands (ev):
-68.8781 -68.8781 -39.4948 -39.4948 -36.6525 -36.6525 -36.2277 -36.2277
-35.5964 -35.5964 -35.5907 -35.5907 3.4977 3.4977 5.2043 5.2043
6.5397 6.5397 6.8521 6.8521 6.9554 6.9554 7.4471 7.4471
8.5357 8.5357 8.7193 8.7193 8.7797 8.7797 13.7889 13.7889
14.2193 14.2193
k = 0.4151-0.2397 0.3389 ( 6462 PWs) bands (ev):
-68.8781 -68.8781 -39.4948 -39.4948 -36.6524 -36.6524 -36.2279 -36.2279
-35.5964 -35.5964 -35.5906 -35.5906 3.5674 3.5674 5.1577 5.1577
6.5657 6.5657 6.8854 6.8854 6.9926 6.9926 7.4551 7.4551
8.4362 8.4362 8.6390 8.6390 8.7070 8.7070 13.8086 13.8086
14.2040 14.2040
k = 0.4245-0.2451 0.3466 ( 6470 PWs) bands (ev):
-68.8781 -68.8781 -39.4948 -39.4948 -36.6523 -36.6523 -36.2280 -36.2280
-35.5964 -35.5964 -35.5905 -35.5905 3.6351 3.6351 5.1113 5.1113
6.5928 6.5928 6.9176 6.9176 7.0289 7.0289 7.4626 7.4626
8.3409 8.3409 8.5662 8.5662 8.6387 8.6387 13.8272 13.8272
14.1893 14.1893
k = 0.4340-0.2505 0.3543 ( 6466 PWs) bands (ev):
-68.8781 -68.8781 -39.4948 -39.4948 -36.6523 -36.6523 -36.2281 -36.2281
-35.5964 -35.5964 -35.5905 -35.5905 3.6999 3.6999 5.0657 5.0657
6.6204 6.6204 6.9481 6.9481 7.0638 7.0638 7.4698 7.4698
8.2516 8.2516 8.5004 8.5004 8.5753 8.5753 13.8447 13.8447
14.1754 14.1754
k = 0.4434-0.2560 0.3620 ( 6466 PWs) bands (ev):
-68.8781 -68.8781 -39.4948 -39.4948 -36.6522 -36.6522 -36.2282 -36.2282
-35.5965 -35.5965 -35.5904 -35.5904 3.7609 3.7609 5.0218 5.0218
6.6478 6.6478 6.9763 6.9763 7.0968 7.0968 7.4766 7.4766
8.1701 8.1701 8.4416 8.4416 8.5172 8.5172 13.8609 13.8609
14.1623 14.1623
k = 0.4528-0.2614 0.3697 ( 6466 PWs) bands (ev):
-68.8781 -68.8781 -39.4949 -39.4949 -36.6522 -36.6522 -36.2283 -36.2283
-35.5965 -35.5965 -35.5904 -35.5904 3.8170 3.8170 4.9804 4.9804
6.6744 6.6744 7.0013 7.0013 7.1269 7.1269 7.4829 7.4829
8.0978 8.0978 8.3901 8.3901 8.4654 8.4654 13.8756 13.8756
14.1503 14.1503
k = 0.4623-0.2669 0.3774 ( 6458 PWs) bands (ev):
-68.8781 -68.8781 -39.4949 -39.4949 -36.6522 -36.6522 -36.2284 -36.2284
-35.5965 -35.5965 -35.5904 -35.5904 3.8668 3.8668 4.9430 4.9430
6.6990 6.6990 7.0225 7.0225 7.1535 7.1535 7.4885 7.4885
8.0361 8.0361 8.3466 8.3466 8.4207 8.4207 13.8885 13.8885
14.1396 14.1396
k = 0.4717-0.2723 0.3851 ( 6450 PWs) bands (ev):
-68.8780 -68.8780 -39.4949 -39.4949 -36.6521 -36.6521 -36.2285 -36.2285
-35.5965 -35.5965 -35.5903 -35.5903 3.9085 3.9085 4.9110 4.9110
6.7203 6.7203 7.0393 7.0393 7.1755 7.1755 7.4933 7.4933
7.9864 7.9864 8.3116 8.3116 8.3842 8.3842 13.8992 13.8992
14.1305 14.1305
k = 0.4811-0.2778 0.3928 ( 6442 PWs) bands (ev):
-68.8780 -68.8780 -39.4949 -39.4949 -36.6521 -36.6521 -36.2285 -36.2285
-35.5965 -35.5965 -35.5903 -35.5903 3.9403 3.9403 4.8862 4.8862
6.7370 6.7370 7.0514 7.0514 7.1921 7.1921 7.4970 7.4970
7.9498 7.9498 8.2861 8.2861 8.3570 8.3570 13.9074 13.9074
14.1236 14.1236
k = 0.4906-0.2832 0.4005 ( 6434 PWs) bands (ev):
-68.8780 -68.8780 -39.4949 -39.4949 -36.6521 -36.6521 -36.2285 -36.2285
-35.5965 -35.5965 -35.5903 -35.5903 3.9603 3.9603 4.8704 4.8704
6.7477 6.7477 7.0586 7.0586 7.2024 7.2024 7.4994 7.4994
7.9275 7.9275 8.2705 8.2705 8.3403 8.3403 13.9125 13.9125
14.1192 14.1192
k = 0.5000-0.2887 0.4082 ( 6434 PWs) bands (ev):
-68.8780 -68.8780 -39.4949 -39.4949 -36.6521 -36.6521 -36.2285 -36.2285
-35.5965 -35.5965 -35.5903 -35.5903 3.9671 3.9671 4.8650 4.8650
6.7514 6.7514 7.0610 7.0610 7.2059 7.2059 7.5002 7.5002
7.9199 7.9199 8.2652 8.2652 8.3346 8.3346 13.9143 13.9143
14.1177 14.1177
k = 0.5000-0.2887 0.4082 ( 6434 PWs) bands (ev):
-68.8780 -68.8780 -39.4949 -39.4949 -36.6521 -36.6521 -36.2285 -36.2285
-35.5965 -35.5965 -35.5903 -35.5903 3.9671 3.9671 4.8650 4.8650
6.7514 6.7514 7.0610 7.0610 7.2059 7.2059 7.5002 7.5002
7.9199 7.9199 8.2652 8.2652 8.3346 8.3346 13.9143 13.9143
14.1177 14.1177
k = 0.5000-0.2780 0.4158 ( 6444 PWs) bands (ev):
-68.8780 -68.8780 -39.4949 -39.4949 -36.6521 -36.6521 -36.2288 -36.2283
-35.5965 -35.5965 -35.5905 -35.5901 3.9664 3.9676 4.8660 4.8663
6.7430 6.7577 7.0591 7.0635 7.2049 7.2082 7.4870 7.5062
7.8987 7.9193 8.2711 8.2722 8.3320 8.3525 13.9168 13.9175
14.1191 14.1194
k = 0.5000-0.2673 0.4234 ( 6444 PWs) bands (ev):
-68.8780 -68.8780 -39.4949 -39.4949 -36.6521 -36.6521 -36.2290 -36.2281
-35.5965 -35.5965 -35.5908 -35.5899 3.9653 3.9677 4.8692 4.8700
6.7329 6.7618 7.0564 7.0673 7.2048 7.2121 7.4655 7.5060
7.8649 7.8973 8.2791 8.2872 8.3469 8.3906 13.9251 13.9264
14.1237 14.1243
k = 0.5000-0.2566 0.4309 ( 6456 PWs) bands (ev):
-68.8780 -68.8780 -39.4950 -39.4948 -36.6521 -36.6521 -36.2293 -36.2278
-35.5965 -35.5965 -35.5910 -35.5896 3.9639 3.9674 4.8748 4.8760
6.7214 6.7633 7.0517 7.0729 7.2056 7.2180 7.4345 7.4998
7.8284 7.8632 8.2807 8.2956 8.3878 8.4449 13.9391 13.9411
14.1314 14.1323
k = 0.5000-0.2459 0.4385 ( 6456 PWs) bands (ev):
-68.8780 -68.8780 -39.4950 -39.4948 -36.6521 -36.6521 -36.2295 -36.2276
-35.5965 -35.5965 -35.5912 -35.5894 3.9622 3.9669 4.8827 4.8842
6.7089 6.7625 7.0434 7.0801 7.2072 7.2260 7.3937 7.4879
7.7952 7.8263 8.2789 8.2968 8.4460 8.5082 13.9589 13.9615
14.1423 14.1435
k = 0.5000-0.2352 0.4460 ( 6456 PWs) bands (ev):
-68.8780 -68.8780 -39.4950 -39.4948 -36.6521 -36.6521 -36.2297 -36.2274
-35.5966 -35.5965 -35.5914 -35.5892 3.9602 3.9661 4.8929 4.8948
6.6956 6.7595 7.0301 7.0881 7.2095 7.2361 7.3440 7.4712
7.7680 7.7922 8.2748 8.2948 8.5119 8.5760 13.9844 13.9877
14.1564 14.1579
k = 0.5000-0.2245 0.4536 ( 6460 PWs) bands (ev):
-68.8780 -68.8780 -39.4950 -39.4948 -36.6521 -36.6521 -36.2300 -36.2271
-35.5966 -35.5966 -35.5915 -35.5889 3.9580 3.9650 4.9054 4.9077
6.6818 6.7546 7.0105 7.0948 7.2126 7.2478 7.2892 7.4513
7.7469 7.7638 8.2691 8.2912 8.5810 8.6458 14.0157 14.0195
14.1737 14.1756
k = 0.5000-0.2138 0.4612 ( 6460 PWs) bands (ev):
-68.8780 -68.8780 -39.4950 -39.4948 -36.6521 -36.6521 -36.2302 -36.2269
-35.5966 -35.5966 -35.5917 -35.5887 3.9555 3.9636 4.9202 4.9229
6.6677 6.7482 6.9835 7.0946 7.2126 7.2403 7.2600 7.4312
7.7311 7.7417 8.2621 8.2863 8.6512 8.7160 14.0529 14.0572
14.1943 14.1965
k = 0.5000-0.2031 0.4687 ( 6472 PWs) bands (ev):
-68.8781 -68.8781 -39.4951 -39.4947 -36.6522 -36.6521 -36.2304 -36.2267
-35.5967 -35.5966 -35.5919 -35.5885 3.9529 3.9620 4.9373 4.9404
6.6531 6.7405 6.9487 7.0733 7.1898 7.2327 7.2711 7.4148
7.7192 7.7250 8.2539 8.2801 8.7211 8.7857 14.0958 14.1005
14.2181 14.2208
k = 0.5000-0.1925 0.4763 ( 6484 PWs) bands (ev):
-68.8781 -68.8781 -39.4951 -39.4947 -36.6522 -36.6522 -36.2306 -36.2265
-35.5967 -35.5966 -35.5920 -35.5882 3.9500 3.9602 4.9566 4.9602
6.6381 6.7318 6.9064 7.0220 7.1780 7.2430 7.2790 7.4059
7.7103 7.7128 8.2445 8.2728 8.7899 8.8540 14.1444 14.1495
14.2451 14.2484
k = 0.5000-0.1818 0.4838 ( 6488 PWs) bands (ev):
-68.8781 -68.8781 -39.4951 -39.4947 -36.6522 -36.6522 -36.2308 -36.2263
-35.5968 -35.5966 -35.5921 -35.5880 3.9470 3.9582 4.9782 4.9823
6.6222 6.7223 6.8578 6.9543 7.1775 7.2583 7.2820 7.4066
7.7035 7.7039 8.2339 8.2643 8.8569 8.9206 14.1988 14.2040
14.2755 14.2795
k = 0.5000-0.1711 0.4914 ( 6484 PWs) bands (ev):
-68.8781 -68.8781 -39.4951 -39.4947 -36.6522 -36.6522 -36.2310 -36.2261
-35.5969 -35.5966 -35.5922 -35.5878 3.9440 3.9561 5.0021 5.0067
6.6048 6.7117 6.8051 6.8810 7.1797 7.2773 7.2806 7.4166
7.6975 7.6984 8.2223 8.2547 8.9216 8.9849 14.2587 14.2638
14.3093 14.3143
k = 0.5000-0.1604 0.4990 ( 6488 PWs) bands (ev):
-68.8781 -68.8781 -39.4951 -39.4947 -36.6522 -36.6522 -36.2312 -36.2259
-35.5969 -35.5966 -35.5923 -35.5876 3.9408 3.9539 5.0282 5.0333
6.5843 6.6988 6.7512 6.8074 7.1821 7.2767 7.2993 7.4332
7.6929 7.6945 8.2096 8.2439 8.9838 9.0465 14.3237 14.3276
14.3468 14.3538
k = 0.5000-0.1497 0.5065 ( 6480 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4947 -36.6522 -36.6522 -36.2314 -36.2257
-35.5970 -35.5966 -35.5924 -35.5874 3.9377 3.9516 5.0565 5.0622
6.5574 6.6762 6.7007 6.7424 7.1842 7.2721 7.3233 7.4538
7.6899 7.6916 8.1958 8.2319 9.0429 9.1052 14.3836 14.3857
14.3980 14.4077
k = 0.5000-0.1390 0.5141 ( 6488 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4946 -36.6522 -36.6522 -36.2315 -36.2255
-35.5971 -35.5967 -35.5925 -35.5873 3.9345 3.9492 5.0870 5.0933
6.5197 6.6243 6.6593 6.7069 7.1859 7.2675 7.3487 7.4768
7.6881 7.6895 8.1810 8.2187 9.0988 9.1607 14.4284 14.4330
14.4728 14.4808
k = 0.5000-0.1283 0.5217 ( 6496 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4946 -36.6522 -36.6522 -36.2317 -36.2254
-35.5972 -35.5967 -35.5925 -35.5871 3.9315 3.9469 5.1197 5.1267
6.4695 6.5529 6.6297 6.6914 7.1872 7.2634 7.3750 7.5010
7.6877 7.6882 8.1653 8.2044 9.1512 9.2127 14.4749 14.4810
14.5538 14.5612
k = 0.5000-0.1176 0.5292 ( 6496 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4946 -36.6522 -36.6522 -36.2319 -36.2252
-35.5972 -35.5967 -35.5926 -35.5869 3.9285 3.9446 5.1546 5.1622
6.4101 6.4775 6.6091 6.6810 7.1883 7.2599 7.4016 7.5254
7.6877 7.6887 8.1486 8.1890 9.2000 9.2611 14.5241 14.5315
14.6396 14.6465
k = 0.5000-0.1069 0.5368 ( 6492 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4946 -36.6522 -36.6522 -36.2320 -36.2251
-35.5973 -35.5967 -35.5926 -35.5868 3.9256 3.9424 5.1916 5.1999
6.3459 6.4018 6.5940 6.6725 7.1892 7.2569 7.4283 7.5491
7.6879 7.6914 8.1312 8.1725 9.2449 9.3056 14.5759 14.5847
14.7295 14.7360
k = 0.5000-0.0962 0.5443 ( 6492 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4946 -36.6522 -36.6522 -36.2321 -36.2250
-35.5974 -35.5967 -35.5927 -35.5866 3.9229 3.9403 5.2306 5.2398
6.2793 6.3268 6.5822 6.6650 7.1899 7.2544 7.4544 7.5711
7.6890 7.6966 8.1130 8.1550 9.2859 9.3463 14.6300 14.6403
14.8229 14.8288
k = 0.5000-0.0855 0.5519 ( 6494 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4946 -36.6523 -36.6522 -36.2322 -36.2248
-35.5975 -35.5967 -35.5927 -35.5865 3.9204 3.9383 5.2717 5.2818
6.2120 6.2528 6.5726 6.6584 7.1905 7.2523 7.4794 7.5903
7.6910 7.7050 8.0944 8.1366 9.3228 9.3829 14.6858 14.6978
14.9190 14.9242
k = 0.5000-0.0748 0.5595 ( 6494 PWs) bands (ev):
-68.8781 -68.8781 -39.4953 -39.4946 -36.6523 -36.6523 -36.2323 -36.2247
-35.5975 -35.5967 -35.5927 -35.5864 3.9181 3.9365 5.3146 5.3257
6.1449 6.1803 6.5646 6.6525 7.1910 7.2506 7.5029 7.6056
7.6942 7.7172 8.0756 8.1176 9.3555 9.4153 14.7426 14.7566
15.0166 15.0209
k = 0.5000-0.0642 0.5670 ( 6498 PWs) bands (ev):
-68.8781 -68.8781 -39.4953 -39.4946 -36.6523 -36.6523 -36.2324 -36.2247
-35.5976 -35.5967 -35.5927 -35.5863 3.9160 3.9348 5.3594 5.3716
6.0786 6.1094 6.5579 6.6475 7.1914 7.2492 7.5242 7.6167
7.6987 7.7331 8.0568 8.0981 9.3839 9.4435 14.7995 14.8158
15.1142 15.1172
k = 0.5000-0.0535 0.5746 ( 6502 PWs) bands (ev):
-68.8781 -68.8781 -39.4953 -39.4946 -36.6523 -36.6523 -36.2325 -36.2246
-35.5977 -35.5967 -35.5928 -35.5862 3.9142 3.9334 5.4057 5.4193
6.0136 6.0405 6.5525 6.6432 7.1917 7.2481 7.5426 7.6243
7.7045 7.7517 8.0386 8.0786 9.4081 9.4675 14.8550 14.8739
15.2094 15.2110
k = 0.5000-0.0428 0.5821 ( 6490 PWs) bands (ev):
-68.8781 -68.8781 -39.4953 -39.4946 -36.6523 -36.6523 -36.2325 -36.2245
-35.5977 -35.5967 -35.5928 -35.5862 3.9128 3.9322 5.4532 5.4683
5.9506 5.9740 6.5481 6.6396 7.1920 7.2472 7.5577 7.6292
7.7115 7.7713 8.0216 8.0595 9.4279 9.4871 14.9073 14.9290
15.2991 15.2993
k = 0.5000-0.0321 0.5897 ( 6496 PWs) bands (ev):
-68.8781 -68.8781 -39.4953 -39.4946 -36.6523 -36.6523 -36.2326 -36.2245
-35.5977 -35.5967 -35.5928 -35.5861 3.9116 3.9313 5.5011 5.5181
5.8906 5.9105 6.5447 6.6369 7.1921 7.2465 7.5692 7.6323
7.7190 7.7902 8.0066 8.0418 9.4433 9.5024 14.9536 14.9783
15.3773 15.3796
k = 0.5000-0.0214 0.5973 ( 6508 PWs) bands (ev):
-68.8781 -68.8781 -39.4953 -39.4946 -36.6523 -36.6523 -36.2326 -36.2244
-35.5978 -35.5967 -35.5928 -35.5861 3.9108 3.9306 5.5474 5.5671
5.8354 5.8517 6.5423 6.6349 7.1923 7.2461 7.5772 7.6342
7.7259 7.8064 7.9946 8.0269 9.4544 9.5134 14.9907 15.0182
15.4399 15.4446
k = 0.5000-0.0107 0.6048 ( 6484 PWs) bands (ev):
-68.8781 -68.8781 -39.4953 -39.4946 -36.6523 -36.6523 -36.2326 -36.2244
-35.5978 -35.5967 -35.5928 -35.5861 3.9102 3.9302 5.5869 5.6100
5.7907 5.8029 6.5409 6.6337 7.1924 7.2458 7.5819 7.6353
7.7308 7.8177 7.9868 8.0165 9.4610 9.5200 15.0150 15.0446
15.4811 15.4876
k = 0.5000-0.0000 0.6124 ( 6476 PWs) bands (ev):
-68.8781 -68.8781 -39.4953 -39.4946 -36.6523 -36.6523 -36.2326 -36.2244
-35.5978 -35.5967 -35.5928 -35.5860 3.9101 3.9300 5.6047 5.6304
5.7711 5.7806 6.5404 6.6333 7.1924 7.2457 7.5834 7.6356
7.7326 7.8217 7.9840 8.0127 9.4632 9.5222 15.0235 15.0538
15.4955 15.5028
k = 0.5000-0.0000 0.6124 ( 6476 PWs) bands (ev):
-68.8781 -68.8781 -39.4953 -39.4946 -36.6523 -36.6523 -36.2326 -36.2244
-35.5978 -35.5967 -35.5928 -35.5860 3.9101 3.9300 5.6047 5.6304
5.7711 5.7806 6.5404 6.6333 7.1924 7.2457 7.5834 7.6356
7.7326 7.8217 7.9840 8.0127 9.4632 9.5222 15.0235 15.0538
15.4955 15.5028
k = 0.4934 0.0114 0.6124 ( 6484 PWs) bands (ev):
-68.8781 -68.8781 -39.4953 -39.4946 -36.6523 -36.6523 -36.2326 -36.2244
-35.5978 -35.5967 -35.5928 -35.5861 3.9091 3.9290 5.5955 5.6197
5.7812 5.7934 6.5410 6.6344 7.1910 7.2438 7.5762 7.6247
7.7397 7.8286 7.9823 8.0224 9.4636 9.5225 15.0150 15.0454
15.4881 15.4997
k = 0.4868 0.0228 0.6124 ( 6506 PWs) bands (ev):
-68.8781 -68.8781 -39.4953 -39.4946 -36.6523 -36.6523 -36.2326 -36.2244
-35.5978 -35.5967 -35.5928 -35.5861 3.9063 3.9261 5.5727 5.5943
5.8078 5.8238 6.5427 6.6373 7.1868 7.2384 7.5568 7.6008
7.7502 7.8462 7.9835 8.0473 9.4644 9.5235 14.9874 15.0175
15.4736 15.4924
k = 0.4803 0.0342 0.6124 ( 6495 PWs) bands (ev):
-68.8781 -68.8781 -39.4953 -39.4946 -36.6523 -36.6523 -36.2326 -36.2244
-35.5977 -35.5967 -35.5928 -35.5861 3.9020 3.9218 5.5438 5.5634
5.8436 5.8626 6.5454 6.6418 7.1798 7.2296 7.5301 7.5707
7.7583 7.8635 7.9977 8.0819 9.4656 9.5246 14.9396 14.9679
15.4617 15.4854
k = 0.4737 0.0456 0.6124 ( 6499 PWs) bands (ev):
-68.8781 -68.8781 -39.4953 -39.4946 -36.6523 -36.6523 -36.2326 -36.2244
-35.5977 -35.5967 -35.5928 -35.5861 3.8965 3.9162 5.5128 5.5312
5.8841 5.9056 6.5491 6.6477 7.1702 7.2180 7.4997 7.5369
7.7646 7.8719 8.0290 8.1235 9.4667 9.5257 14.8740 14.8991
15.4564 15.4814
k = 0.4671 0.0570 0.6124 ( 6501 PWs) bands (ev):
-68.8781 -68.8781 -39.4953 -39.4946 -36.6523 -36.6523 -36.2325 -36.2245
-35.5977 -35.5967 -35.5928 -35.5862 3.8901 3.9096 5.4818 5.4996
5.9273 5.9508 6.5537 6.6546 7.1577 7.2043 7.4671 7.5009
7.7699 7.8728 8.0732 8.1701 9.4675 9.5264 14.7952 14.8165
15.4572 15.4810
k = 0.4605 0.0684 0.6124 ( 6493 PWs) bands (ev):
-68.8781 -68.8781 -39.4953 -39.4946 -36.6523 -36.6523 -36.2325 -36.2245
-35.5977 -35.5967 -35.5928 -35.5862 3.8830 3.9024 5.4518 5.4694
5.9719 5.9971 6.5592 6.6623 7.1422 7.1893 7.4327 7.4642
7.7744 7.8704 8.1243 8.2202 9.4678 9.5265 14.7084 14.7258
15.4620 15.4831
k = 0.4539 0.0798 0.6124 ( 6495 PWs) bands (ev):
-68.8781 -68.8781 -39.4953 -39.4946 -36.6523 -36.6523 -36.2324 -36.2245
-35.5976 -35.5967 -35.5928 -35.5863 3.8755 3.8948 5.4233 5.4410
6.0174 6.0439 6.5656 6.6708 7.1236 7.1741 7.3960 7.4284
7.7785 7.8672 8.1788 8.2724 9.4675 9.5257 14.6177 14.6317
15.4689 15.4866
k = 0.4474 0.0912 0.6124 ( 6493 PWs) bands (ev):
-68.8781 -68.8781 -39.4953 -39.4946 -36.6523 -36.6523 -36.2323 -36.2245
-35.5976 -35.5967 -35.5928 -35.5863 3.8678 3.8870 5.3967 5.4145
6.0632 6.0907 6.5729 6.6797 7.1017 7.1593 7.3567 7.3944
7.7821 7.8644 8.2346 8.3257 9.4664 9.5239 14.5265 14.5376
15.4765 15.4908
k = 0.4408 0.1026 0.6124 ( 6491 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4946 -36.6523 -36.6523 -36.2323 -36.2246
-35.5976 -35.5967 -35.5928 -35.5864 3.8602 3.8792 5.3721 5.3901
6.1089 6.1369 6.5811 6.6890 7.0771 7.1451 7.3155 7.3624
7.7855 7.8623 8.2904 8.3791 9.4645 9.5209 14.4372 14.4462
15.4840 15.4950
k = 0.4342 0.1140 0.6124 ( 6501 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4946 -36.6523 -36.6523 -36.2322 -36.2246
-35.5975 -35.5967 -35.5927 -35.5864 3.8527 3.8716 5.3498 5.3680
6.1542 6.1821 6.5905 6.6984 7.0504 7.1316 7.2733 7.3321
7.7885 7.8610 8.3452 8.4317 9.4617 9.5167 14.3519 14.3594
15.4910 15.4991
k = 0.4276 0.1253 0.6124 ( 6499 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4946 -36.6523 -36.6523 -36.2321 -36.2246
-35.5975 -35.5967 -35.5927 -35.5865 3.8455 3.8643 5.3297 5.3481
6.1985 6.2259 6.6009 6.7079 7.0221 7.1184 7.2311 7.3034
7.7912 7.8603 8.3981 8.4826 9.4580 9.5113 14.2720 14.2785
15.4971 15.5029
k = 0.4211 0.1367 0.6124 ( 6493 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4946 -36.6523 -36.6523 -36.2321 -36.2247
-35.5975 -35.5967 -35.5927 -35.5866 3.8389 3.8576 5.3120 5.3305
6.2412 6.2678 6.6126 6.7173 6.9932 7.1043 7.1909 7.2765
7.7936 7.8603 8.4481 8.5308 9.4537 9.5047 14.1988 14.2047
15.5023 15.5064
k = 0.4145 0.1481 0.6124 ( 6495 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4946 -36.6524 -36.6523 -36.2320 -36.2247
-35.5974 -35.5966 -35.5927 -35.5866 3.8329 3.8515 5.2966 5.3152
6.2813 6.3074 6.6256 6.7267 6.9642 7.0865 7.1562 7.2514
7.7957 7.8606 8.4945 8.5755 9.4490 9.4972 14.1333 14.1390
15.5062 15.5098
k = 0.4079 0.1595 0.6124 ( 6502 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4946 -36.6524 -36.6523 -36.2320 -36.2247
-35.5974 -35.5966 -35.5927 -35.5867 3.8277 3.8462 5.2835 5.3023
6.3174 6.3448 6.6393 6.7364 6.9363 7.0602 7.1322 7.2284
7.7974 7.8611 8.5362 8.6157 9.4442 9.4891 14.0765 14.0821
15.5090 15.5131
k = 0.4013 0.1709 0.6124 ( 6500 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4946 -36.6524 -36.6523 -36.2319 -36.2248
-35.5974 -35.5966 -35.5927 -35.5867 3.8232 3.8417 5.2729 5.2917
6.3478 6.3798 6.6528 6.7472 6.9107 7.0258 7.1193 7.2079
7.7989 7.8617 8.5723 8.6504 9.4396 9.4809 14.0290 14.0347
15.5110 15.5159
k = 0.3947 0.1823 0.6124 ( 6498 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4946 -36.6524 -36.6523 -36.2319 -36.2248
-35.5974 -35.5966 -35.5927 -35.5867 3.8197 3.8381 5.2646 5.2834
6.3717 6.4113 6.6639 6.7604 6.8889 6.9885 7.1132 7.1904
7.8001 7.8623 8.6017 8.6786 9.4358 9.4732 13.9915 13.9973
15.5125 15.5182
k = 0.3882 0.1937 0.6124 ( 6493 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4946 -36.6524 -36.6523 -36.2318 -36.2248
-35.5973 -35.5966 -35.5927 -35.5868 3.8171 3.8355 5.2586 5.2776
6.3885 6.4372 6.6708 6.7769 6.8724 6.9527 7.1109 7.1766
7.8010 7.8628 8.6236 8.6995 9.4330 9.4667 13.9644 13.9702
15.5135 15.5198
k = 0.3816 0.2051 0.6124 ( 6493 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4946 -36.6524 -36.6523 -36.2318 -36.2248
-35.5973 -35.5966 -35.5927 -35.5868 3.8156 3.8339 5.2551 5.2740
6.3985 6.4547 6.6735 6.7938 6.8624 6.9236 7.1104 7.1674
7.8015 7.8631 8.6371 8.7123 9.4314 9.4624 13.9480 13.9539
15.5141 15.5207
k = 0.3750 0.2165 0.6124 ( 6491 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4946 -36.6524 -36.6523 -36.2318 -36.2248
-35.5973 -35.5966 -35.5927 -35.5868 3.8151 3.8334 5.2539 5.2729
6.4019 6.4610 6.6740 6.8021 6.8593 6.9111 7.1105 7.1642
7.8016 7.8632 8.6417 8.7167 9.4308 9.4608 13.9425 13.9484
15.5143 15.5210
k = 0.3750 0.2165 0.6124 ( 6491 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4946 -36.6524 -36.6523 -36.2318 -36.2248
-35.5973 -35.5966 -35.5927 -35.5868 3.8151 3.8334 5.2539 5.2729
6.4019 6.4610 6.6740 6.8021 6.8593 6.9111 7.1105 7.1642
7.8016 7.8632 8.6417 8.7167 9.4308 9.4608 13.9425 13.9484
15.5143 15.5210
k = 0.3683 0.2126 0.6014 ( 6491 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4946 -36.6524 -36.6524 -36.2319 -36.2247
-35.5974 -35.5966 -35.5927 -35.5867 3.7910 3.8096 5.2918 5.3127
6.3533 6.4039 6.6526 6.7845 6.8546 6.9016 7.0984 7.1463
7.8511 7.9174 8.6353 8.7096 9.5237 9.5533 13.9353 13.9414
15.6565 15.6630
k = 0.3616 0.2088 0.5905 ( 6487 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4945 -36.6524 -36.6524 -36.2319 -36.2246
-35.5974 -35.5966 -35.5928 -35.5867 3.7643 3.7831 5.3302 5.3531
6.3030 6.3473 6.6345 6.7644 6.8566 6.8970 7.0876 7.1284
7.9028 7.9737 8.6272 8.7002 9.6184 9.6477 13.9282 13.9344
15.8007 15.8069
k = 0.3549 0.2049 0.5796 ( 6491 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4945 -36.6525 -36.6524 -36.2319 -36.2245
-35.5974 -35.5966 -35.5928 -35.5866 3.7350 3.7538 5.3691 5.3939
6.2525 6.2924 6.6185 6.7436 6.8623 6.8970 7.0787 7.1107
7.9563 8.0320 8.6179 8.6890 9.7149 9.7439 13.9212 13.9274
15.9457 15.9516
k = 0.3482 0.2010 0.5686 ( 6483 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4945 -36.6525 -36.6525 -36.2318 -36.2243
-35.5975 -35.5966 -35.5928 -35.5866 3.7030 3.7218 5.4080 5.4348
6.2031 6.2398 6.6039 6.7231 6.8690 6.9014 7.0728 7.0934
8.0114 8.0922 8.6079 8.6763 9.8131 9.8418 13.9142 13.9206
16.0901 16.0956
k = 0.3415 0.1972 0.5577 ( 6483 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4945 -36.6525 -36.6525 -36.2318 -36.2243
-35.5975 -35.5966 -35.5928 -35.5866 3.6683 3.6869 5.4468 5.4755
6.1556 6.1901 6.5902 6.7035 6.8748 6.9096 7.0714 7.0769
8.0677 8.1543 8.5981 8.6626 9.9130 9.9414 13.9075 13.9139
16.2318 16.2370
k = 0.3348 0.1933 0.5468 ( 6459 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4945 -36.6526 -36.6525 -36.2317 -36.2241
-35.5975 -35.5965 -35.5928 -35.5867 3.6309 3.6492 5.4852 5.5156
6.1105 6.1435 6.5772 6.6850 6.8775 6.9206 7.0622 7.0760
8.1246 8.2182 8.5893 8.6483 10.0146 10.0427 13.9010 13.9074
16.3631 16.3723
k = 0.3281 0.1894 0.5358 ( 6465 PWs) bands (ev):
-68.8781 -68.8781 -39.4951 -39.4945 -36.6526 -36.6526 -36.2316 -36.2241
-35.5975 -35.5965 -35.5928 -35.5867 3.5908 3.6087 5.5229 5.5549
6.0683 6.1003 6.5648 6.6678 6.8759 6.9321 7.0509 7.0875
8.1813 8.2838 8.5830 8.6342 10.1178 10.1457 13.8948 13.9012
16.2935 16.3000
k = 0.3214 0.1856 0.5249 ( 6473 PWs) bands (ev):
-68.8781 -68.8781 -39.4951 -39.4945 -36.6527 -36.6526 -36.2315 -36.2240
-35.5975 -35.5965 -35.5929 -35.5868 3.5481 3.5655 5.5598 5.5931
6.0293 6.0606 6.5532 6.6520 6.8697 6.9404 7.0467 7.1057
8.2365 8.3507 8.5809 8.6210 10.2226 10.2502 13.8890 13.8954
16.2089 16.2158
k = 0.3147 0.1817 0.5140 ( 6473 PWs) bands (ev):
-68.8781 -68.8781 -39.4951 -39.4944 -36.6527 -36.6527 -36.2313 -36.2239
-35.5975 -35.5964 -35.5929 -35.5869 3.5029 3.5198 5.5955 5.6301
5.9935 6.0245 6.5423 6.6376 6.8596 6.9410 7.0536 7.1296
8.2882 8.4186 8.5859 8.6098 10.3289 10.3563 13.8837 13.8900
16.1267 16.1341
k = 0.3080 0.1778 0.5030 ( 6467 PWs) bands (ev):
-68.8781 -68.8781 -39.4951 -39.4944 -36.6528 -36.6527 -36.2312 -36.2238
-35.5974 -35.5964 -35.5929 -35.5870 3.4553 3.4716 5.6300 5.6655
5.9610 5.9919 6.5321 6.6247 6.8464 6.9332 7.0717 7.1575
8.3338 8.4852 8.6015 8.6035 10.4367 10.4640 13.8788 13.8851
16.0467 16.0549
k = 0.3013 0.1740 0.4921 ( 6475 PWs) bands (ev):
-68.8781 -68.8781 -39.4951 -39.4944 -36.6528 -36.6528 -36.2310 -36.2238
-35.5974 -35.5964 -35.5929 -35.5871 3.4055 3.4211 5.6631 5.6993
5.9319 5.9630 6.5228 6.6132 6.8310 6.9200 7.0973 7.1880
8.3711 8.5402 8.6133 8.6306 10.5460 10.5731 13.8744 13.8807
15.9689 15.9779
k = 0.2946 0.1701 0.4811 ( 6479 PWs) bands (ev):
-68.8781 -68.8781 -39.4950 -39.4944 -36.6529 -36.6528 -36.2308 -36.2237
-35.5974 -35.5963 -35.5929 -35.5872 3.3537 3.3685 5.6946 5.7313
5.9060 5.9377 6.5143 6.6031 6.8140 6.9040 7.1273 7.2196
8.4005 8.5614 8.6621 8.6741 10.6568 10.6838 13.8706 13.8769
15.8929 15.9029
k = 0.2879 0.1662 0.4702 ( 6487 PWs) bands (ev):
-68.8781 -68.8781 -39.4950 -39.4944 -36.6530 -36.6529 -36.2306 -36.2236
-35.5973 -35.5963 -35.5929 -35.5874 3.3000 3.3141 5.7241 5.7614
5.8835 5.9161 6.5065 6.5943 6.7959 6.8867 7.1593 7.2509
8.4254 8.5675 8.7297 8.7326 10.7689 10.7959 13.8674 13.8737
15.8184 15.8295
k = 0.2812 0.1624 0.4593 ( 6487 PWs) bands (ev):
-68.8781 -68.8781 -39.4950 -39.4943 -36.6530 -36.6530 -36.2303 -36.2236
-35.5972 -35.5963 -35.5930 -35.5875 3.2447 3.2580 5.7515 5.7895
5.8642 5.8983 6.4996 6.5869 6.7770 6.8688 7.1915 7.2803
8.4501 8.5748 8.7941 8.8091 10.8824 10.9093 13.8649 13.8711
15.7451 15.7575
k = 0.2746 0.1585 0.4483 ( 6479 PWs) bands (ev):
-68.8781 -68.8781 -39.4949 -39.4943 -36.6531 -36.6530 -36.2301 -36.2235
-35.5972 -35.5962 -35.5930 -35.5877 3.1879 3.2006 5.7759 5.8146
5.8490 5.8850 6.4933 6.5806 6.7579 6.8509 7.2225 7.3067
8.4785 8.5875 8.8648 8.8888 10.9973 11.0242 13.8632 13.8694
15.6724 15.6863
k = 0.2679 0.1546 0.4374 ( 6463 PWs) bands (ev):
-68.8781 -68.8781 -39.4949 -39.4943 -36.6532 -36.6531 -36.2298 -36.2234
-35.5971 -35.5962 -35.5930 -35.5879 3.1300 3.1419 5.7957 5.8264
5.8481 5.8775 6.4876 6.5753 6.7387 6.8332 7.2510 7.3289
8.5131 8.6074 8.9403 8.9709 11.1134 11.1404 13.8622 13.8684
15.5998 15.6152
k = 0.2612 0.1508 0.4265 ( 6459 PWs) bands (ev):
-68.8781 -68.8781 -39.4948 -39.4943 -36.6532 -36.6531 -36.2295 -36.2233
-35.5970 -35.5961 -35.5930 -35.5881 3.0712 3.0823 5.8085 5.8186
5.8677 5.8781 6.4823 6.5707 6.7199 6.8162 7.2760 7.3460
8.5558 8.6357 9.0194 9.0550 11.2308 11.2578 13.8620 13.8682
15.5264 15.5436
k = 0.2545 0.1469 0.4155 ( 6467 PWs) bands (ev):
-68.8781 -68.8781 -39.4948 -39.4942 -36.6533 -36.6532 -36.2292 -36.2233
-35.5970 -35.5961 -35.5931 -35.5883 3.0116 3.0220 5.8103 5.8133
5.8878 5.8887 6.4772 6.5663 6.7020 6.8001 7.2965 7.3576
8.6074 8.6733 9.1015 9.1411 11.3494 11.3765 13.8627 13.8689
15.4515 15.4704
k = 0.2478 0.1430 0.4046 ( 6469 PWs) bands (ev):
-68.8781 -68.8781 -39.4947 -39.4942 -36.6534 -36.6533 -36.2289 -36.2232
-35.5969 -35.5960 -35.5931 -35.5885 2.9515 2.9611 5.8037 5.8134
5.9030 5.9085 6.4721 6.5616 6.6858 6.7852 7.3121 7.3637
8.6685 8.7207 9.1864 9.2290 11.4691 11.4963 13.8644 13.8705
15.3742 15.3947
k = 0.2411 0.1392 0.3937 ( 6469 PWs) bands (ev):
-68.8781 -68.8781 -39.4947 -39.4942 -36.6534 -36.6534 -36.2285 -36.2231
-35.5968 -35.5960 -35.5931 -35.5888 2.8911 2.9000 5.7990 5.8120
5.9202 5.9270 6.4668 6.5556 6.6722 6.7718 7.3225 7.3644
8.7390 8.7779 9.2737 9.3187 11.5898 11.6173 13.8669 13.8731
15.2935 15.3154
k = 0.2344 0.1353 0.3827 ( 6475 PWs) bands (ev):
-68.8781 -68.8781 -39.4946 -39.4942 -36.6535 -36.6535 -36.2282 -36.2230
-35.5967 -35.5960 -35.5932 -35.5890 2.8305 2.8388 5.7962 5.8110
5.9377 5.9441 6.4610 6.5474 6.6621 6.7602 7.3278 7.3603
8.8183 8.8449 9.3632 9.4103 11.7116 11.7393 13.8705 13.8767
15.2089 15.2317
k = 0.2277 0.1315 0.3718 ( 6471 PWs) bands (ev):
-68.8781 -68.8781 -39.4946 -39.4941 -36.6536 -36.6535 -36.2278 -36.2229
-35.5966 -35.5959 -35.5932 -35.5893 2.7701 2.7777 5.7951 5.8108
5.9548 5.9598 6.4545 6.5363 6.6563 6.7508 7.3284 7.3520
8.9059 8.9212 9.4548 9.5035 11.8342 11.8623 13.8751 13.8814
15.1199 15.1430
k = 0.2210 0.1276 0.3609 ( 6467 PWs) bands (ev):
-68.8781 -68.8781 -39.4945 -39.4941 -36.6537 -36.6536 -36.2275 -36.2229
-35.5965 -35.5959 -35.5933 -35.5895 2.7099 2.7169 5.7955 5.8116
5.9709 5.9743 6.4469 6.5224 6.6549 6.7438 7.3248 7.3404
9.0010 9.0061 9.5485 9.5985 11.9577 11.9861 13.8808 13.8872
15.0267 15.0494
k = 0.2143 0.1237 0.3499 ( 6475 PWs) bands (ev):
-68.8781 -68.8781 -39.4945 -39.4941 -36.6538 -36.6537 -36.2271 -36.2228
-35.5964 -35.5958 -35.5933 -35.5898 2.6501 2.6565 5.7974 5.8136
5.9861 5.9874 6.4382 6.5061 6.6572 6.7393 7.3177 7.3261
9.0990 9.1030 9.6441 9.6951 12.0818 12.1107 13.8875 13.8941
14.9296 14.9516
k = 0.2076 0.1199 0.3390 ( 6471 PWs) bands (ev):
-68.8781 -68.8781 -39.4944 -39.4940 -36.6538 -36.6538 -36.2267 -36.2227
-35.5963 -35.5958 -35.5934 -35.5900 2.5909 2.5968 5.8005 5.8166
5.9993 6.0001 6.4283 6.4882 6.6626 6.7374 7.3077 7.3098
9.1991 9.2111 9.7415 9.7934 12.2064 12.2358 13.8954 13.9021
14.8296 14.8503
k = 0.2009 0.1160 0.3281 ( 6471 PWs) bands (ev):
-68.8781 -68.8781 -39.4943 -39.4940 -36.6539 -36.6539 -36.2264 -36.2226
-35.5962 -35.5957 -35.5934 -35.5903 2.5325 2.5378 5.8047 5.8206
6.0099 6.0129 6.4171 6.4692 6.6706 6.7382 7.2922 7.2955
9.3056 9.3245 9.8408 9.8933 12.3314 12.3614 13.9045 13.9114
14.7274 14.7468
k = 0.1942 0.1121 0.3171 ( 6463 PWs) bands (ev):
-68.8781 -68.8781 -39.4943 -39.4940 -36.6540 -36.6539 -36.2260 -36.2224
-35.5962 -35.5957 -35.5935 -35.5906 2.4749 2.4797 5.8100 5.8255
6.0193 6.0244 6.4049 6.4497 6.6806 6.7415 7.2738 7.2816
9.4179 9.4428 9.9418 9.9947 12.4564 12.4872 13.9146 13.9218
14.6241 14.6421
k = 0.1875 0.1083 0.3062 ( 6447 PWs) bands (ev):
-68.8781 -68.8781 -39.4942 -39.4939 -36.6541 -36.6540 -36.2256 -36.2223
-35.5961 -35.5956 -35.5935 -35.5908 2.4183 2.4227 5.8161 5.8312
6.0274 6.0346 6.3917 6.4299 6.6923 6.7471 7.2550 7.2668
9.5352 9.5654 10.0445 10.0976 12.5813 12.6129 13.9259 13.9335
14.5205 14.5372
k = 0.1808 0.1044 0.2953 ( 6447 PWs) bands (ev):
-68.8781 -68.8781 -39.4942 -39.4939 -36.6541 -36.6541 -36.2252 -36.2222
-35.5960 -35.5956 -35.5936 -35.5911 2.3628 2.3668 5.8230 5.8376
6.0343 6.0434 6.3778 6.4101 6.7055 6.7548 7.2363 7.2513
9.6570 9.6916 10.1488 10.2020 12.7055 12.7381 13.9383 13.9465
14.4175 14.4332
k = 0.1741 0.1005 0.2843 ( 6445 PWs) bands (ev):
-68.8781 -68.8781 -39.4941 -39.4939 -36.6542 -36.6542 -36.2248 -36.2221
-35.5959 -35.5955 -35.5936 -35.5913 2.3086 2.3121 5.8306 5.8445
6.0399 6.0508 6.3633 6.3905 6.7200 6.7645 7.2181 7.2357
9.7827 9.8211 10.2547 10.3077 12.8285 12.8623 13.9514 13.9608
14.3161 14.3313
k = 0.1674 0.0967 0.2734 ( 6465 PWs) bands (ev):
-68.8781 -68.8781 -39.4940 -39.4938 -36.6543 -36.6543 -36.2245 -36.2220
-35.5958 -35.5955 -35.5937 -35.5916 2.2557 2.2588 5.8387 5.8520
6.0442 6.0567 6.3485 6.3713 6.7355 6.7758 7.2006 7.2202
9.9118 9.9533 10.3621 10.4147 12.9496 12.9848 13.9646 13.9762
14.2173 14.2330
k = 0.1607 0.0928 0.2624 ( 6455 PWs) bands (ev):
-68.8781 -68.8781 -39.4940 -39.4938 -36.6544 -36.6543 -36.2241 -36.2218
-35.5958 -35.5955 -35.5937 -35.5919 2.2042 2.2070 5.8472 5.8599
6.0473 6.0612 6.3336 6.3525 6.7519 6.7885 7.1840 7.2053
10.0438 10.0878 10.4709 10.5229 13.0675 13.1044 13.9755 13.9927
14.1226 14.1420
k = 0.1540 0.0889 0.2515 ( 6447 PWs) bands (ev):
-68.8781 -68.8781 -39.4939 -39.4937 -36.6544 -36.6544 -36.2237 -36.2217
-35.5957 -35.5954 -35.5938 -35.5921 2.1543 2.1567 5.8560 5.8681
6.0492 6.0643 6.3187 6.3342 6.7692 6.8025 7.1686 7.1910
10.1783 10.2242 10.5811 10.6323 13.1800 13.2190 13.9724 14.0072
14.0372 14.0722
k = 0.1473 0.0851 0.2406 ( 6457 PWs) bands (ev):
-68.8781 -68.8781 -39.4939 -39.4937 -36.6545 -36.6545 -36.2234 -36.2216
-35.5956 -35.5954 -35.5939 -35.5923 2.1059 2.1080 5.8650 5.8765
6.0499 6.0659 6.3039 6.3166 6.7872 6.8176 7.1546 7.1777
10.3147 10.3620 10.6925 10.7426 13.2831 13.3246 13.9293 13.9517
14.0327 14.0532
k = 0.1406 0.0812 0.2296 ( 6461 PWs) bands (ev):
-68.8781 -68.8781 -39.4938 -39.4937 -36.6546 -36.6546 -36.2230 -36.2214
-35.5955 -35.5954 -35.5939 -35.5926 2.0592 2.0611 5.8742 5.8850
6.0495 6.0662 6.2894 6.2997 6.8056 6.8335 7.1419 7.1653
10.4527 10.5008 10.8052 10.8538 13.3688 13.4124 13.8749 13.8906
14.0527 14.0648
k = 0.1339 0.0773 0.2187 ( 6461 PWs) bands (ev):
-68.8781 -68.8781 -39.4937 -39.4936 -36.6547 -36.6546 -36.2227 -36.2213
-35.5955 -35.5953 -35.5940 -35.5928 2.0143 2.0159 5.8834 5.8935
6.0480 6.0651 6.2753 6.2835 6.8246 6.8501 7.1306 7.1541
10.5917 10.6401 10.9189 10.9657 13.4221 13.4647 13.8487 13.8610
14.0744 14.0847
k = 0.1272 0.0735 0.2078 ( 6465 PWs) bands (ev):
-68.8781 -68.8781 -39.4937 -39.4936 -36.6547 -36.6547 -36.2224 -36.2211
-35.5954 -35.5953 -35.5941 -35.5930 1.9712 1.9726 5.8925 5.9019
6.0456 6.0629 6.2617 6.2682 6.8438 6.8673 7.1208 7.1441
10.7314 10.7793 11.0336 11.0782 13.4286 13.4642 13.8717 13.8770
14.0974 14.1083
k = 0.1205 0.0696 0.1968 ( 6465 PWs) bands (ev):
-68.8782 -68.8782 -39.4936 -39.4935 -36.6548 -36.6548 -36.2221 -36.2210
-35.5954 -35.5953 -35.5941 -35.5932 1.9299 1.9311 5.9014 5.9102
6.0423 6.0595 6.2486 6.2537 6.8632 6.8847 7.1124 7.1353
10.8712 10.9180 11.1491 11.1910 13.3946 13.4220 13.9317 13.9326
14.1216 14.1350
k = 0.1138 0.0657 0.1859 ( 6461 PWs) bands (ev):
-68.8782 -68.8782 -39.4936 -39.4935 -36.6549 -36.6548 -36.2218 -36.2209
-35.5953 -35.5952 -35.5942 -35.5934 1.8906 1.8916 5.9101 5.9182
6.0382 6.0552 6.2362 6.2401 6.8826 6.9024 7.1055 7.1276
11.0106 11.0556 11.2652 11.3039 13.3391 13.3606 14.0052 14.0076
14.1468 14.1651
k = 0.1071 0.0619 0.1750 ( 6457 PWs) bands (ev):
-68.8782 -68.8782 -39.4935 -39.4935 -36.6549 -36.6549 -36.2215 -36.2207
-35.5953 -35.5952 -35.5943 -35.5936 1.8533 1.8541 5.9184 5.9259
6.0336 6.0501 6.2244 6.2274 6.9019 6.9201 7.0998 7.1211
11.1492 11.1915 11.3818 11.4166 13.2748 13.2924 14.0816 14.0839
14.1731 14.2001
k = 0.1004 0.0580 0.1640 ( 6451 PWs) bands (ev):
-68.8782 -68.8782 -39.4935 -39.4934 -36.6550 -36.6550 -36.2212 -36.2206
-35.5952 -35.5952 -35.5943 -35.5938 1.8180 1.8187 5.9262 5.9332
6.0284 6.0443 6.2134 6.2157 6.9211 6.9378 7.0953 7.1156
11.2862 11.3250 11.4986 11.5288 13.2081 13.2229 14.1457 14.1601
14.2008 14.2424
k = 0.0938 0.0541 0.1531 ( 6453 PWs) bands (ev):
-68.8782 -68.8782 -39.4934 -39.4934 -36.6550 -36.6550 -36.2210 -36.2204
-35.5952 -35.5951 -35.5944 -35.5939 1.7848 1.7853 5.9336 5.9400
6.0230 6.0381 6.2033 6.2049 6.9398 6.9551 7.0920 7.1111
11.4212 11.4556 11.6151 11.6402 13.1418 13.1547 14.1966 14.2223
14.2378 14.2919
k = 0.0871 0.0503 0.1422 ( 6447 PWs) bands (ev):
-68.8782 -68.8782 -39.4934 -39.4933 -36.6551 -36.6551 -36.2207 -36.2203
-35.5952 -35.5951 -35.5945 -35.5941 1.7537 1.7541 5.9403 5.9461
6.0173 6.0315 6.1940 6.1951 6.9581 6.9721 7.0896 7.1075
11.5534 11.5827 11.7307 11.7502 13.0776 13.0889 14.2380 14.2543
14.2984 14.3434
k = 0.0804 0.0464 0.1312 ( 6439 PWs) bands (ev):
-68.8782 -68.8782 -39.4933 -39.4933 -36.6551 -36.6551 -36.2205 -36.2201
-35.5951 -35.5951 -35.5945 -35.5942 1.7247 1.7251 5.9464 5.9517
6.0116 6.0248 6.1856 6.1864 6.9758 6.9885 7.0880 7.1046
11.6821 11.7057 11.8449 11.8584 13.0164 13.0264 14.2750 14.2836
14.3540 14.3912
k = 0.0737 0.0425 0.1203 ( 6437 PWs) bands (ev):
-68.8782 -68.8782 -39.4933 -39.4933 -36.6552 -36.6552 -36.2203 -36.2200
-35.5951 -35.5951 -35.5946 -35.5944 1.6980 1.6983 5.9518 5.9565
6.0059 6.0181 6.1781 6.1786 6.9927 7.0042 7.0872 7.1024
11.8063 11.8241 11.9564 11.9642 12.9588 12.9678 14.3101 14.3132
14.4017 14.4327
k = 0.0670 0.0387 0.1094 ( 6441 PWs) bands (ev):
-68.8782 -68.8782 -39.4933 -39.4933 -36.6552 -36.6552 -36.2201 -36.2199
-35.5951 -35.5951 -35.5946 -35.5945 1.6735 1.6737 5.9564 5.9606
6.0005 6.0116 6.1715 6.1719 7.0087 7.0190 7.0869 7.1008
11.9253 11.9375 12.0644 12.0668 12.9054 12.9134 14.3430 14.3445
14.4419 14.4674
k = 0.0603 0.0348 0.0984 ( 6439 PWs) bands (ev):
-68.8782 -68.8782 -39.4932 -39.4932 -36.6553 -36.6553 -36.2199 -36.2198
-35.5951 -35.5950 -35.5947 -35.5946 1.6512 1.6513 5.9604 5.9640
5.9953 6.0052 6.1659 6.1661 7.0237 7.0329 7.0872 7.0996
12.0379 12.0450 12.1654 12.1674 12.8565 12.8636 14.3730 14.3785
14.4751 14.4957
k = 0.0536 0.0309 0.0875 ( 6445 PWs) bands (ev):
-68.8782 -68.8782 -39.4932 -39.4932 -36.6553 -36.6553 -36.2198 -36.2197
-35.5950 -35.5950 -35.5948 -35.5947 1.6312 1.6313 5.9636 5.9668
5.9904 5.9993 6.1612 6.1613 7.0375 7.0457 7.0878 7.0988
12.1430 12.1461 12.2590 12.2642 12.8124 12.8187 14.4033 14.4122
14.5023 14.5186
k = 0.0469 0.0271 0.0765 ( 6437 PWs) bands (ev):
-68.8782 -68.8782 -39.4932 -39.4932 -36.6553 -36.6553 -36.2197 -36.2196
-35.5950 -35.5950 -35.5948 -35.5947 1.6135 1.6136 5.9661 5.9689
5.9860 5.9938 6.1573 6.1574 7.0501 7.0572 7.0886 7.0982
12.2393 12.2397 12.3465 12.3535 12.7735 12.7791 14.4334 14.4452
14.5243 14.5367
k = 0.0402 0.0232 0.0656 ( 6433 PWs) bands (ev):
-68.8782 -68.8782 -39.4932 -39.4932 -36.6554 -36.6554 -36.2195 -36.2195
-35.5950 -35.5950 -35.5948 -35.5948 1.5981 1.5982 5.9681 5.9704
5.9821 5.9888 6.1542 6.1542 7.0614 7.0674 7.0896 7.0978
12.3244 12.3255 12.4267 12.4339 12.7402 12.7451 14.4632 14.4770
14.5420 14.5510
k = 0.0335 0.0193 0.0547 ( 6431 PWs) bands (ev):
-68.8782 -68.8782 -39.4931 -39.4931 -36.6554 -36.6554 -36.2194 -36.2194
-35.5950 -35.5950 -35.5949 -35.5949 1.5851 1.5851 5.9696 5.9714
5.9789 5.9844 6.1518 6.1518 7.0711 7.0761 7.0907 7.0975
12.3985 12.4000 12.4982 12.5045 12.7130 12.7172 14.4919 14.5068
14.5559 14.5620
k = 0.0268 0.0155 0.0437 ( 6413 PWs) bands (ev):
-68.8782 -68.8782 -39.4931 -39.4931 -36.6554 -36.6554 -36.2194 -36.2193
-35.5950 -35.5950 -35.5949 -35.5949 1.5744 1.5744 5.9706 5.9721
5.9762 5.9806 6.1500 6.1500 7.0793 7.0833 7.0918 7.0973
12.4599 12.4611 12.5595 12.5641 12.6925 12.6961 14.5189 14.5335
14.5668 14.5704
k = 0.0201 0.0116 0.0328 ( 6403 PWs) bands (ev):
-68.8782 -68.8782 -39.4931 -39.4931 -36.6554 -36.6554 -36.2193 -36.2193
-35.5950 -35.5950 -35.5949 -35.5949 1.5661 1.5661 5.9714 5.9725
5.9742 5.9775 6.1487 6.1487 7.0858 7.0888 7.0929 7.0970
12.5064 12.5071 12.6091 12.6119 12.6796 12.6825 14.5427 14.5555
14.5751 14.5765
k = 0.0134 0.0077 0.0219 ( 6407 PWs) bands (ev):
-68.8782 -68.8782 -39.4931 -39.4931 -36.6554 -36.6554 -36.2193 -36.2193
-35.5950 -35.5950 -35.5950 -35.5950 1.5601 1.5601 5.9719 5.9726
5.9729 5.9751 6.1478 6.1478 7.0907 7.0927 7.0939 7.0966
12.5366 12.5368 12.6457 12.6470 12.6743 12.6765 14.5619 14.5705
14.5813 14.5814
k = 0.0067 0.0039 0.0109 ( 6419 PWs) bands (ev):
-68.8782 -68.8782 -39.4931 -39.4931 -36.6554 -36.6554 -36.2192 -36.2192
-35.5950 -35.5950 -35.5950 -35.5950 1.5565 1.5565 5.9722 5.9724
5.9726 5.9734 6.1473 6.1473 7.0938 7.0948 7.0949 7.0961
12.5520 12.5520 12.6680 12.6685 12.6745 12.6756 14.5741 14.5763
14.5858 14.5866
k = 0.0000 0.0000 0.0000 ( 6423 PWs) bands (ev):
-68.8782 -68.8782 -39.4931 -39.4931 -36.6554 -36.6554 -36.2192 -36.2192
-35.5950 -35.5950 -35.5950 -35.5950 1.5553 1.5553 5.9725 5.9725
5.9725 5.9725 6.1472 6.1472 7.0954 7.0954 7.0954 7.0954
12.5564 12.5564 12.6757 12.6757 12.6757 12.6757 14.5774 14.5774
14.5884 14.5884
k = 0.0000 0.0000 0.0000 ( 6423 PWs) bands (ev):
-68.8782 -68.8782 -39.4931 -39.4931 -36.6554 -36.6554 -36.2192 -36.2192
-35.5950 -35.5950 -35.5950 -35.5950 1.5553 1.5553 5.9725 5.9725
5.9725 5.9725 6.1472 6.1472 7.0954 7.0954 7.0954 7.0954
12.5564 12.5564 12.6757 12.6757 12.6757 12.6757 14.5774 14.5774
14.5884 14.5884
k = 0.0109 0.0063 0.0044 ( 6423 PWs) bands (ev):
-68.8782 -68.8782 -39.4931 -39.4931 -36.6554 -36.6554 -36.2192 -36.2192
-35.5950 -35.5950 -35.5950 -35.5950 1.5565 1.5565 5.9723 5.9724
5.9724 5.9735 6.1473 6.1473 7.0941 7.0948 7.0948 7.0960
12.5520 12.5520 12.6684 12.6684 12.6744 12.6757 14.5755 14.5755
14.5876 14.5877
k = 0.0217 0.0126 0.0089 ( 6411 PWs) bands (ev):
-68.8782 -68.8782 -39.4931 -39.4931 -36.6554 -36.6554 -36.2193 -36.2193
-35.5950 -35.5950 -35.5950 -35.5950 1.5600 1.5600 5.9722 5.9722
5.9728 5.9752 6.1478 6.1478 7.0921 7.0930 7.0930 7.0959
12.5360 12.5360 12.6498 12.6498 12.6720 12.6745 14.5691 14.5691
14.5865 14.5865
k = 0.0326 0.0188 0.0133 ( 6405 PWs) bands (ev):
-68.8782 -68.8782 -39.4931 -39.4931 -36.6554 -36.6554 -36.2193 -36.2193
-35.5950 -35.5950 -35.5949 -35.5949 1.5659 1.5659 5.9719 5.9719
5.9741 5.9776 6.1487 6.1487 7.0895 7.0900 7.0900 7.0952
12.5002 12.5002 12.6291 12.6291 12.6684 12.6721 14.5580 14.5580
14.5855 14.5855
k = 0.0435 0.0251 0.0177 ( 6411 PWs) bands (ev):
-68.8782 -68.8782 -39.4931 -39.4931 -36.6554 -36.6554 -36.2193 -36.2193
-35.5950 -35.5950 -35.5949 -35.5949 1.5742 1.5742 5.9712 5.9712
5.9760 5.9807 6.1500 6.1500 7.0860 7.0860 7.0863 7.0938
12.4390 12.4390 12.6137 12.6137 12.6635 12.6685 14.5432 14.5432
14.5843 14.5843
k = 0.0543 0.0314 0.0222 ( 6432 PWs) bands (ev):
-68.8782 -68.8782 -39.4931 -39.4931 -36.6554 -36.6554 -36.2194 -36.2194
-35.5950 -35.5950 -35.5949 -35.5949 1.5847 1.5847 5.9702 5.9702
5.9786 5.9845 6.1518 6.1518 7.0808 7.0808 7.0825 7.0920
12.3548 12.3548 12.6033 12.6033 12.6575 12.6637 14.5259 14.5259
14.5823 14.5823
k = 0.0652 0.0377 0.0266 ( 6438 PWs) bands (ev):
-68.8782 -68.8782 -39.4932 -39.4932 -36.6554 -36.6554 -36.2195 -36.2195
-35.5950 -35.5950 -35.5948 -35.5948 1.5976 1.5976 5.9688 5.9688
5.9819 5.9889 6.1543 6.1543 7.0747 7.0747 7.0783 7.0896
12.2525 12.2525 12.5953 12.5953 12.6502 12.6576 14.5071 14.5071
14.5788 14.5788
k = 0.0761 0.0439 0.0311 ( 6450 PWs) bands (ev):
-68.8782 -68.8782 -39.4932 -39.4932 -36.6553 -36.6553 -36.2196 -36.2196
-35.5950 -35.5950 -35.5948 -35.5948 1.6128 1.6128 5.9667 5.9667
5.9857 5.9939 6.1575 6.1575 7.0677 7.0677 7.0737 7.0868
12.1358 12.1358 12.5878 12.5878 12.6417 12.6502 14.4874 14.4874
14.5733 14.5733
k = 0.0870 0.0502 0.0355 ( 6444 PWs) bands (ev):
-68.8782 -68.8782 -39.4932 -39.4932 -36.6553 -36.6553 -36.2197 -36.2197
-35.5950 -35.5950 -35.5947 -35.5947 1.6302 1.6302 5.9640 5.9640
5.9901 5.9994 6.1615 6.1615 7.0599 7.0599 7.0688 7.0837
12.0078 12.0078 12.5801 12.5801 12.6319 12.6416 14.4675 14.4675
14.5651 14.5651
k = 0.0978 0.0565 0.0399 ( 6435 PWs) bands (ev):
-68.8782 -68.8782 -39.4932 -39.4932 -36.6553 -36.6553 -36.2199 -36.2199
-35.5950 -35.5950 -35.5947 -35.5947 1.6500 1.6500 5.9604 5.9604
5.9948 6.0053 6.1663 6.1663 7.0514 7.0514 7.0638 7.0804
11.8707 11.8707 12.5717 12.5717 12.6209 12.6316 14.4476 14.4476
14.5536 14.5536
k = 0.1087 0.0628 0.0444 ( 6432 PWs) bands (ev):
-68.8782 -68.8782 -39.4933 -39.4933 -36.6552 -36.6552 -36.2200 -36.2200
-35.5950 -35.5950 -35.5946 -35.5946 1.6719 1.6719 5.9560 5.9560
6.0000 6.0116 6.1720 6.1720 7.0423 7.0423 7.0587 7.0771
11.7264 11.7264 12.5621 12.5621 12.6085 12.6202 14.4282 14.4282
14.5382 14.5382
k = 0.1196 0.0690 0.0488 ( 6441 PWs) bands (ev):
-68.8782 -68.8782 -39.4933 -39.4933 -36.6552 -36.6552 -36.2201 -36.2201
-35.5951 -35.5951 -35.5945 -35.5945 1.6961 1.6961 5.9507 5.9507
6.0054 6.0182 6.1786 6.1786 7.0329 7.0329 7.0538 7.0738
11.5763 11.5763 12.5512 12.5512 12.5947 12.6074 14.4094 14.4094
14.5185 14.5185
k = 0.1304 0.0753 0.0532 ( 6435 PWs) bands (ev):
-68.8782 -68.8782 -39.4933 -39.4933 -36.6551 -36.6551 -36.2203 -36.2203
-35.5951 -35.5951 -35.5944 -35.5944 1.7224 1.7224 5.9445 5.9445
6.0110 6.0249 6.1859 6.1859 7.0232 7.0232 7.0491 7.0707
11.4219 11.4219 12.5387 12.5387 12.5794 12.5931 14.3915 14.3915
14.4945 14.4945
k = 0.1413 0.0816 0.0577 ( 6453 PWs) bands (ev):
-68.8782 -68.8782 -39.4934 -39.4934 -36.6551 -36.6551 -36.2205 -36.2205
-35.5951 -35.5951 -35.5943 -35.5943 1.7508 1.7508 5.9375 5.9375
6.0168 6.0316 6.1940 6.1940 7.0135 7.0135 7.0448 7.0679
11.2643 11.2643 12.5243 12.5243 12.5627 12.5773 14.3744 14.3744
14.4660 14.4660
k = 0.1522 0.0879 0.0621 ( 6447 PWs) bands (ev):
-68.8782 -68.8782 -39.4934 -39.4934 -36.6550 -36.6550 -36.2207 -36.2207
-35.5951 -35.5951 -35.5942 -35.5942 1.7813 1.7813 5.9296 5.9296
6.0224 6.0383 6.2026 6.2026 7.0039 7.0039 7.0411 7.0657
11.1043 11.1043 12.5080 12.5080 12.5444 12.5599 14.3583 14.3583
14.4336 14.4336
k = 0.1630 0.0941 0.0666 ( 6453 PWs) bands (ev):
-68.8782 -68.8782 -39.4934 -39.4934 -36.6550 -36.6550 -36.2209 -36.2209
-35.5951 -35.5951 -35.5941 -35.5941 1.8139 1.8139 5.9210 5.9210
6.0280 6.0448 6.2116 6.2116 6.9946 6.9946 7.0381 7.0641
10.9429 10.9429 12.4895 12.4895 12.5245 12.5407 14.3429 14.3429
14.3978 14.3978
k = 0.1739 0.1004 0.0710 ( 6453 PWs) bands (ev):
-68.8782 -68.8782 -39.4935 -39.4935 -36.6549 -36.6549 -36.2211 -36.2211
-35.5951 -35.5951 -35.5940 -35.5940 1.8484 1.8484 5.9116 5.9116
6.0334 6.0510 6.2209 6.2209 6.9858 6.9858 7.0360 7.0632
10.7806 10.7806 12.4687 12.4687 12.5028 12.5199 14.3277 14.3277
14.3600 14.3600
k = 0.1848 0.1067 0.0754 ( 6459 PWs) bands (ev):
-68.8782 -68.8782 -39.4935 -39.4935 -36.6549 -36.6549 -36.2213 -36.2213
-35.5952 -35.5952 -35.5939 -35.5939 1.8848 1.8848 5.9016 5.9016
6.0384 6.0567 6.2302 6.2302 6.9778 6.9778 7.0350 7.0633
10.6182 10.6182 12.4455 12.4455 12.4794 12.4972 14.3065 14.3065
14.3272 14.3272
k = 0.1957 0.1130 0.0799 ( 6477 PWs) bands (ev):
-68.8782 -68.8782 -39.4936 -39.4936 -36.6548 -36.6548 -36.2215 -36.2215
-35.5952 -35.5952 -35.5938 -35.5938 1.9230 1.9230 5.8910 5.8910
6.0430 6.0620 6.2393 6.2393 6.9708 6.9708 7.0351 7.0644
10.4561 10.4561 12.4197 12.4197 12.4541 12.4726 14.2691 14.2691
14.3104 14.3104
k = 0.2065 0.1192 0.0843 ( 6477 PWs) bands (ev):
-68.8781 -68.8781 -39.4936 -39.4936 -36.6548 -36.6548 -36.2217 -36.2217
-35.5952 -35.5952 -35.5937 -35.5937 1.9630 1.9630 5.8800 5.8800
6.0471 6.0666 6.2481 6.2481 6.9649 6.9649 7.0366 7.0666
10.2948 10.2948 12.3913 12.3913 12.4270 12.4460 14.2266 14.2266
14.2949 14.2991
k = 0.2174 0.1255 0.0887 ( 6465 PWs) bands (ev):
-68.8781 -68.8781 -39.4937 -39.4937 -36.6547 -36.6547 -36.2219 -36.2219
-35.5952 -35.5952 -35.5936 -35.5936 2.0046 2.0046 5.8685 5.8685
6.0506 6.0705 6.2563 6.2563 6.9605 6.9605 7.0394 7.0701
10.1348 10.1348 12.3603 12.3603 12.3979 12.4174 14.1834 14.1834
14.2453 14.2680
k = 0.2283 0.1318 0.0932 ( 6456 PWs) bands (ev):
-68.8781 -68.8781 -39.4937 -39.4937 -36.6546 -36.6546 -36.2222 -36.2222
-35.5953 -35.5953 -35.5935 -35.5935 2.0478 2.0478 5.8567 5.8567
6.0535 6.0737 6.2637 6.2637 6.9575 6.9575 7.0438 7.0749
9.9764 9.9764 12.3266 12.3266 12.3669 12.3869 14.1406 14.1406
14.1953 14.2159
k = 0.2391 0.1381 0.0976 ( 6462 PWs) bands (ev):
-68.8781 -68.8781 -39.4938 -39.4938 -36.6546 -36.6546 -36.2224 -36.2224
-35.5953 -35.5953 -35.5933 -35.5933 2.0925 2.0925 5.8446 5.8446
6.0557 6.0760 6.2701 6.2701 6.9563 6.9563 7.0496 7.0810
9.8201 9.8201 12.2904 12.2904 12.3340 12.3544 14.0989 14.0989
14.1456 14.1641
k = 0.2500 0.1443 0.1021 ( 6453 PWs) bands (ev):
-68.8781 -68.8781 -39.4938 -39.4938 -36.6545 -36.6545 -36.2226 -36.2226
-35.5953 -35.5953 -35.5932 -35.5932 2.1385 2.1385 5.8323 5.8323
6.0572 6.0774 6.2755 6.2755 6.9570 6.9570 7.0570 7.0885
9.6661 9.6661 12.2518 12.2518 12.2993 12.3199 14.0587 14.0587
14.0968 14.1134
k = 0.2609 0.1506 0.1065 ( 6465 PWs) bands (ev):
-68.8781 -68.8781 -39.4939 -39.4939 -36.6544 -36.6544 -36.2229 -36.2229
-35.5953 -35.5953 -35.5931 -35.5931 2.1857 2.1857 5.8199 5.8199
6.0579 6.0780 6.2797 6.2797 6.9595 6.9595 7.0660 7.0973
9.5149 9.5149 12.2110 12.2110 12.2628 12.2836 14.0205 14.0205
14.0494 14.0642
k = 0.2717 0.1569 0.1109 ( 6447 PWs) bands (ev):
-68.8781 -68.8781 -39.4939 -39.4939 -36.6543 -36.6543 -36.2231 -36.2231
-35.5953 -35.5953 -35.5930 -35.5930 2.2340 2.2340 5.8073 5.8073
6.0579 6.0778 6.2826 6.2826 6.9639 6.9639 7.0764 7.1075
9.3668 9.3668 12.1682 12.1682 12.2247 12.2455 13.9845 13.9845
14.0039 14.0170
k = 0.2826 0.1632 0.1154 ( 6441 PWs) bands (ev):
-68.8781 -68.8781 -39.4940 -39.4940 -36.6543 -36.6543 -36.2233 -36.2233
-35.5954 -35.5954 -35.5929 -35.5929 2.2831 2.2831 5.7947 5.7947
6.0573 6.0767 6.2842 6.2842 6.9702 6.9702 7.0882 7.1189
9.2220 9.2220 12.1237 12.1237 12.1851 12.2059 13.9508 13.9508
13.9606 13.9721
k = 0.2935 0.1694 0.1198 ( 6441 PWs) bands (ev):
-68.8781 -68.8781 -39.4940 -39.4940 -36.6542 -36.6542 -36.2235 -36.2235
-35.5954 -35.5954 -35.5927 -35.5927 2.3330 2.3330 5.7821 5.7821
6.0559 6.0748 6.2846 6.2846 6.9783 6.9783 7.1014 7.1314
9.0810 9.0810 12.0778 12.0778 12.1444 12.1651 13.9196 13.9196
13.9197 13.9298
k = 0.3043 0.1757 0.1242 ( 6447 PWs) bands (ev):
-68.8781 -68.8781 -39.4940 -39.4940 -36.6542 -36.6542 -36.2237 -36.2237
-35.5954 -35.5954 -35.5926 -35.5926 2.3834 2.3834 5.7696 5.7696
6.0541 6.0723 6.2838 6.2838 6.9879 6.9879 7.1157 7.1449
8.9441 8.9441 12.0309 12.0309 12.1028 12.1231 13.8814 13.8902
13.8908 13.8908
k = 0.3152 0.1820 0.1287 ( 6447 PWs) bands (ev):
-68.8781 -68.8781 -39.4941 -39.4941 -36.6541 -36.6541 -36.2240 -36.2240
-35.5954 -35.5954 -35.5925 -35.5925 2.4341 2.4341 5.7572 5.7572
6.0517 6.0691 6.2820 6.2820 6.9989 6.9989 7.1310 7.1593
8.8116 8.8116 11.9834 11.9834 12.0605 12.0805 13.8458 13.8534
13.8644 13.8644
k = 0.3261 0.1883 0.1331 ( 6465 PWs) bands (ev):
-68.8781 -68.8781 -39.4941 -39.4941 -36.6540 -36.6540 -36.2242 -36.2242
-35.5954 -35.5954 -35.5924 -35.5924 2.4848 2.4848 5.7449 5.7449
6.0488 6.0655 6.2792 6.2792 7.0109 7.0109 7.1471 7.1744
8.6838 8.6839 11.9357 11.9357 12.0179 12.0374 13.8128 13.8194
13.8403 13.8403
k = 0.3370 0.1945 0.1376 ( 6477 PWs) bands (ev):
-68.8781 -68.8781 -39.4942 -39.4942 -36.6540 -36.6540 -36.2244 -36.2244
-35.5955 -35.5955 -35.5923 -35.5923 2.5352 2.5352 5.7329 5.7329
6.0456 6.0614 6.2757 6.2757 7.0239 7.0239 7.1639 7.1900
8.5613 8.5613 11.8882 11.8882 11.9754 11.9943 13.7825 13.7882
13.8185 13.8185
k = 0.3478 0.2008 0.1420 ( 6465 PWs) bands (ev):
-68.8781 -68.8781 -39.4942 -39.4942 -36.6539 -36.6539 -36.2246 -36.2246
-35.5955 -35.5955 -35.5922 -35.5922 2.5852 2.5852 5.7211 5.7211
6.0422 6.0570 6.2715 6.2715 7.0373 7.0373 7.1811 7.2059
8.4444 8.4444 11.8414 11.8414 11.9334 11.9515 13.7549 13.7597
13.7988 13.7988
k = 0.3587 0.2071 0.1464 ( 6459 PWs) bands (ev):
-68.8781 -68.8781 -39.4943 -39.4943 -36.6539 -36.6539 -36.2248 -36.2248
-35.5955 -35.5955 -35.5921 -35.5921 2.6344 2.6344 5.7096 5.7096
6.0385 6.0524 6.2669 6.2669 7.0509 7.0509 7.1985 7.2219
8.3335 8.3335 11.7956 11.7956 11.8921 11.9094 13.7297 13.7339
13.7812 13.7812
k = 0.3696 0.2134 0.1509 ( 6453 PWs) bands (ev):
-68.8781 -68.8781 -39.4943 -39.4943 -36.6538 -36.6538 -36.2249 -36.2249
-35.5955 -35.5955 -35.5920 -35.5920 2.6823 2.6823 5.6985 5.6985
6.0348 6.0477 6.2620 6.2620 7.0643 7.0644 7.2158 7.2378
8.2291 8.2291 11.7512 11.7512 11.8521 11.8685 13.7070 13.7106
13.7654 13.7654
k = 0.3804 0.2196 0.1553 ( 6459 PWs) bands (ev):
-68.8781 -68.8781 -39.4943 -39.4943 -36.6538 -36.6538 -36.2251 -36.2251
-35.5955 -35.5955 -35.5919 -35.5919 2.7287 2.7287 5.6878 5.6878
6.0311 6.0430 6.2570 6.2570 7.0773 7.0773 7.2330 7.2534
8.1316 8.1316 11.7088 11.7088 11.8137 11.8290 13.6866 13.6897
13.7513 13.7513
k = 0.3913 0.2259 0.1597 ( 6468 PWs) bands (ev):
-68.8781 -68.8781 -39.4944 -39.4944 -36.6537 -36.6537 -36.2253 -36.2253
-35.5955 -35.5955 -35.5919 -35.5919 2.7731 2.7731 5.6775 5.6775
6.0275 6.0383 6.2520 6.2520 7.0894 7.0894 7.2497 7.2685
8.0415 8.0415 11.6686 11.6686 11.7772 11.7914 13.6685 13.6711
13.7389 13.7389
k = 0.4022 0.2322 0.1642 ( 6462 PWs) bands (ev):
-68.8781 -68.8781 -39.4944 -39.4944 -36.6537 -36.6537 -36.2254 -36.2254
-35.5956 -35.5956 -35.5918 -35.5918 2.8152 2.8152 5.6678 5.6678
6.0240 6.0337 6.2470 6.2470 7.1004 7.1004 7.2657 7.2828
7.9593 7.9593 11.6311 11.6311 11.7431 11.7561 13.6524 13.6546
13.7281 13.7281
k = 0.4130 0.2385 0.1686 ( 6469 PWs) bands (ev):
-68.8781 -68.8781 -39.4944 -39.4944 -36.6536 -36.6536 -36.2255 -36.2255
-35.5956 -35.5956 -35.5917 -35.5917 2.8545 2.8545 5.6588 5.6588
6.0208 6.0294 6.2423 6.2423 7.1099 7.1099 7.2807 7.2961
7.8853 7.8853 11.5964 11.5964 11.7116 11.7234 13.6384 13.6402
13.7186 13.7186
k = 0.4239 0.2447 0.1731 ( 6475 PWs) bands (ev):
-68.8781 -68.8781 -39.4944 -39.4944 -36.6536 -36.6536 -36.2257 -36.2257
-35.5956 -35.5956 -35.5917 -35.5917 2.8905 2.8905 5.6504 5.6504
6.0178 6.0254 6.2379 6.2379 7.1177 7.1177 7.2947 7.3083
7.8201 7.8201 11.5651 11.5651 11.6831 11.6936 13.6263 13.6278
13.7105 13.7105
k = 0.4348 0.2510 0.1775 ( 6472 PWs) bands (ev):
-68.8781 -68.8781 -39.4945 -39.4945 -36.6536 -36.6536 -36.2258 -36.2258
-35.5956 -35.5956 -35.5916 -35.5916 2.9229 2.9229 5.6429 5.6429
6.0152 6.0217 6.2340 6.2340 7.1238 7.1238 7.3074 7.3191
7.7638 7.7638 11.5373 11.5373 11.6579 11.6670 13.6159 13.6172
13.7036 13.7036
k = 0.4457 0.2573 0.1819 ( 6460 PWs) bands (ev):
-68.8781 -68.8781 -39.4945 -39.4945 -36.6535 -36.6535 -36.2258 -36.2258
-35.5956 -35.5956 -35.5916 -35.5916 2.9511 2.9511 5.6363 5.6363
6.0130 6.0184 6.2305 6.2305 7.1281 7.1281 7.3186 7.3285
7.7168 7.7168 11.5134 11.5134 11.6363 11.6439 13.6074 13.6083
13.6979 13.6979
k = 0.4565 0.2636 0.1864 ( 6466 PWs) bands (ev):
-68.8781 -68.8781 -39.4945 -39.4945 -36.6535 -36.6535 -36.2259 -36.2259
-35.5956 -35.5956 -35.5915 -35.5915 2.9749 2.9749 5.6308 5.6308
6.0113 6.0156 6.2275 6.2275 7.1308 7.1308 7.3282 7.3361
7.6788 7.6788 11.4935 11.4935 11.6184 11.6246 13.6004 13.6012
13.6933 13.6933
k = 0.4674 0.2698 0.1908 ( 6460 PWs) bands (ev):
-68.8781 -68.8781 -39.4945 -39.4945 -36.6535 -36.6535 -36.2260 -36.2260
-35.5956 -35.5956 -35.5915 -35.5915 2.9937 2.9937 5.6263 5.6263
6.0100 6.0132 6.2252 6.2252 7.1322 7.1322 7.3360 7.3420
7.6498 7.6498 11.4778 11.4778 11.6044 11.6091 13.5951 13.5957
13.6898 13.6898
k = 0.4783 0.2761 0.1952 ( 6460 PWs) bands (ev):
-68.8781 -68.8781 -39.4945 -39.4945 -36.6535 -36.6535 -36.2260 -36.2260
-35.5956 -35.5956 -35.5915 -35.5915 3.0074 3.0074 5.6231 5.6231
6.0092 6.0113 6.2235 6.2235 7.1327 7.1327 7.3420 7.3460
7.6295 7.6295 11.4665 11.4665 11.5946 11.5977 13.5914 13.5918
13.6873 13.6873
k = 0.4891 0.2824 0.1997 ( 6460 PWs) bands (ev):
-68.8781 -68.8781 -39.4945 -39.4945 -36.6535 -36.6535 -36.2260 -36.2260
-35.5956 -35.5956 -35.5915 -35.5915 3.0158 3.0158 5.6211 5.6211
6.0089 6.0100 6.2225 6.2225 7.1328 7.1328 7.3460 7.3480
7.6175 7.6175 11.4597 11.4597 11.5890 11.5905 13.5892 13.5894
13.6858 13.6858
k = 0.5000 0.2887 0.2041 ( 6442 PWs) bands (ev):
-68.8781 -68.8781 -39.4945 -39.4945 -36.6535 -36.6535 -36.2260 -36.2260
-35.5956 -35.5956 -35.5915 -35.5915 3.0185 3.0185 5.6204 5.6204
6.0092 6.0092 6.2221 6.2221 7.1328 7.1328 7.3480 7.3480
7.6135 7.6135 11.4574 11.4574 11.5876 11.5876 13.5885 13.5885
13.6853 13.6853
k = 0.5000 0.2887 0.2041 ( 6442 PWs) bands (ev):
-68.8781 -68.8781 -39.4945 -39.4945 -36.6535 -36.6535 -36.2260 -36.2260
-35.5956 -35.5956 -35.5915 -35.5915 3.0185 3.0185 5.6204 5.6204
6.0092 6.0092 6.2221 6.2221 7.1328 7.1328 7.3480 7.3480
7.6135 7.6135 11.4574 11.4574 11.5876 11.5876 13.5885 13.5885
13.6853 13.6853
k = 0.5038 0.2777 0.2103 ( 6456 PWs) bands (ev):
-68.8781 -68.8781 -39.4945 -39.4945 -36.6535 -36.6535 -36.2263 -36.2258
-35.5956 -35.5956 -35.5916 -35.5913 3.0193 3.0200 5.6204 5.6208
6.0094 6.0094 6.2222 6.2223 7.1297 7.1361 7.3480 7.3480
7.6095 7.6167 11.4476 11.4503 11.5793 11.5794 13.5942 13.5942
13.6903 13.6921
k = 0.5076 0.2668 0.2165 ( 6460 PWs) bands (ev):
-68.8781 -68.8781 -39.4946 -39.4945 -36.6535 -36.6535 -36.2265 -36.2257
-35.5956 -35.5956 -35.5918 -35.5910 3.0223 3.0238 5.6208 5.6215
6.0099 6.0099 6.2226 6.2228 7.1267 7.1395 7.3481 7.3483
7.6048 7.6192 11.4206 11.4265 11.5549 11.5559 13.6102 13.6104
13.7069 13.7101
k = 0.5114 0.2559 0.2227 ( 6458 PWs) bands (ev):
-68.8781 -68.8781 -39.4946 -39.4945 -36.6535 -36.6535 -36.2267 -36.2255
-35.5957 -35.5956 -35.5920 -35.5908 3.0276 3.0298 5.6215 5.6224
6.0107 6.0108 6.2235 6.2236 7.1238 7.1429 7.3481 7.3488
7.5992 7.6211 11.3760 11.3861 11.5170 11.5200 13.6338 13.6346
13.7354 13.7391
k = 0.5152 0.2449 0.2289 ( 6462 PWs) bands (ev):
-68.8781 -68.8781 -39.4946 -39.4944 -36.6535 -36.6534 -36.2269 -36.2253
-35.5957 -35.5957 -35.5921 -35.5906 3.0352 3.0381 5.6225 5.6237
6.0118 6.0119 6.2249 6.2249 7.1210 7.1462 7.3480 7.3497
7.5928 7.6225 11.3142 11.3293 11.4688 11.4747 13.6609 13.6628
13.7764 13.7795
k = 0.5189 0.2340 0.2351 ( 6468 PWs) bands (ev):
-68.8781 -68.8781 -39.4946 -39.4944 -36.6534 -36.6534 -36.2272 -36.2251
-35.5957 -35.5957 -35.5923 -35.5904 3.0449 3.0486 5.6237 5.6252
6.0128 6.0130 6.2268 6.2271 7.1183 7.1492 7.3478 7.3511
7.5857 7.6236 11.2371 11.2571 11.4134 11.4222 13.6877 13.6908
13.8304 13.8321
k = 0.5227 0.2231 0.2412 ( 6463 PWs) bands (ev):
-68.8781 -68.8781 -39.4946 -39.4944 -36.6534 -36.6534 -36.2274 -36.2250
-35.5958 -35.5957 -35.5924 -35.5902 3.0569 3.0613 5.6253 5.6268
6.0139 6.0141 6.2295 6.2302 7.1154 7.1518 7.3472 7.3530
7.5780 7.6246 11.1470 11.1714 11.3526 11.3641 13.7118 13.7157
13.8966 13.8970
k = 0.5265 0.2121 0.2474 ( 6461 PWs) bands (ev):
-68.8781 -68.8781 -39.4947 -39.4944 -36.6534 -36.6534 -36.2276 -36.2248
-35.5959 -35.5958 -35.5925 -35.5899 3.0710 3.0761 5.6270 5.6286
6.0147 6.0151 6.2333 6.2346 7.1124 7.1537 7.3463 7.3554
7.5700 7.6256 11.0466 11.0749 11.2876 11.3013 13.7329 13.7371
13.9728 13.9737
k = 0.5303 0.2012 0.2536 ( 6461 PWs) bands (ev):
-68.8781 -68.8781 -39.4947 -39.4944 -36.6534 -36.6533 -36.2279 -36.2247
-35.5959 -35.5958 -35.5926 -35.5897 3.0872 3.0931 5.6289 5.6303
6.0152 6.0156 6.2383 6.2405 7.1091 7.1547 7.3449 7.3583
7.5617 7.6270 10.9385 10.9702 11.2191 11.2345 13.7511 13.7551
14.0581 14.0600
k = 0.5341 0.1903 0.2598 ( 6455 PWs) bands (ev):
-68.8781 -68.8781 -39.4947 -39.4944 -36.6533 -36.6533 -36.2281 -36.2246
-35.5960 -35.5959 -35.5927 -35.5895 3.1055 3.1121 5.6308 5.6319
6.0154 6.0158 6.2448 6.2480 7.1054 7.1548 7.3428 7.3614
7.5538 7.6291 10.8246 10.8593 11.1477 11.1645 13.7670 13.7704
14.1514 14.1539
k = 0.5379 0.1793 0.2660 ( 6451 PWs) bands (ev):
-68.8781 -68.8781 -39.4948 -39.4944 -36.6533 -36.6533 -36.2284 -36.2245
-35.5961 -35.5959 -35.5927 -35.5893 3.1259 3.1331 5.6325 5.6331
6.0153 6.0155 6.2530 6.2573 7.1011 7.1537 7.3399 7.3642
7.5468 7.6320 10.7067 10.7441 11.0740 11.0920 13.7810 13.7838
14.2515 14.2545
k = 0.5417 0.1684 0.2722 ( 6455 PWs) bands (ev):
-68.8781 -68.8781 -39.4948 -39.4944 -36.6533 -36.6532 -36.2286 -36.2244
-35.5962 -35.5959 -35.5928 -35.5890 3.1481 3.1561 5.6339 5.6340
6.0147 6.0150 6.2630 6.2686 7.0962 7.1514 7.3360 7.3661
7.5415 7.6362 10.5860 10.6260 10.9984 11.0174 13.7936 13.7955
14.3574 14.3607
k = 0.5455 0.1575 0.2784 ( 6453 PWs) bands (ev):
-68.8781 -68.8781 -39.4948 -39.4944 -36.6532 -36.6532 -36.2289 -36.2243
-35.5963 -35.5960 -35.5928 -35.5888 3.1723 3.1809 5.6339 5.6350
6.0138 6.0148 6.2748 6.2818 7.0906 7.1478 7.3310 7.3660
7.5389 7.6419 10.4637 10.5061 10.9214 10.9413 13.8051 13.8062
14.4683 14.4718
k = 0.5492 0.1465 0.2845 ( 6455 PWs) bands (ev):
-68.8781 -68.8781 -39.4948 -39.4944 -36.6532 -36.6531 -36.2291 -36.2242
-35.5964 -35.5960 -35.5928 -35.5886 3.1982 3.2075 5.6328 5.6352
6.0128 6.0149 6.2885 6.2971 7.0842 7.1429 7.3247 7.3632
7.5399 7.6493 10.3406 10.3853 10.8435 10.8642 13.8157 13.8159
14.5836 14.5872
k = 0.5530 0.1356 0.2907 ( 6452 PWs) bands (ev):
-68.8781 -68.8781 -39.4949 -39.4944 -36.6531 -36.6531 -36.2293 -36.2242
-35.5965 -35.5961 -35.5929 -35.5884 3.2259 3.2359 5.6305 5.6344
6.0123 6.0158 6.3041 6.3143 7.0769 7.1368 7.3172 7.3569
7.5452 7.6586 10.2175 10.2645 10.7649 10.7864 13.8250 13.8255
14.7027 14.7064
k = 0.5568 0.1247 0.2969 ( 6449 PWs) bands (ev):
-68.8781 -68.8781 -39.4949 -39.4944 -36.6531 -36.6530 -36.2296 -36.2241
-35.5966 -35.5961 -35.5929 -35.5882 3.2551 3.2658 5.6265 5.6322
6.0125 6.0178 6.3214 6.3334 7.0686 7.1293 7.3084 7.3471
7.5548 7.6699 10.0950 10.1442 10.6861 10.7083 13.8335 13.8348
14.8252 14.8288
k = 0.5606 0.1137 0.3031 ( 6453 PWs) bands (ev):
-68.8781 -68.8781 -39.4949 -39.4944 -36.6530 -36.6530 -36.2298 -36.2241
-35.5967 -35.5962 -35.5929 -35.5880 3.2858 3.2971 5.6207 5.6283
6.0141 6.0215 6.3403 6.3542 7.0594 7.1207 7.2984 7.3341
7.5683 7.6832 9.9738 10.0250 10.6072 10.6300 13.8417 13.8436
14.9506 14.9541
k = 0.5644 0.1028 0.3093 ( 6452 PWs) bands (ev):
-68.8781 -68.8781 -39.4949 -39.4944 -36.6530 -36.6529 -36.2300 -36.2241
-35.5968 -35.5962 -35.5929 -35.5879 3.3178 3.3298 5.6126 5.6224
6.0173 6.0272 6.3607 6.3768 7.0492 7.1108 7.2873 7.3186
7.5853 7.6984 9.8542 9.9074 10.5286 10.5520 13.8495 13.8520
15.0786 15.0818
k = 0.5682 0.0919 0.3155 ( 6453 PWs) bands (ev):
-68.8781 -68.8781 -39.4950 -39.4944 -36.6529 -36.6529 -36.2302 -36.2241
-35.5969 -35.5963 -35.5929 -35.5877 3.3510 3.3637 5.6022 5.6141
6.0227 6.0352 6.3824 6.4009 7.0381 7.0997 7.2753 7.3012
7.6049 7.7155 9.7368 9.7920 10.4503 10.4743 13.8569 13.8601
15.2086 15.2117
k = 0.5720 0.0809 0.3217 ( 6453 PWs) bands (ev):
-68.8781 -68.8781 -39.4950 -39.4944 -36.6529 -36.6528 -36.2304 -36.2241
-35.5970 -35.5963 -35.5929 -35.5876 3.3853 3.3985 5.5894 5.6034
6.0307 6.0459 6.4054 6.4265 7.0259 7.0873 7.2626 7.2825
7.6267 7.7342 9.6220 9.6790 10.3726 10.3972 13.8642 13.8678
15.3405 15.3433
k = 0.5758 0.0700 0.3278 ( 6459 PWs) bands (ev):
-68.8781 -68.8781 -39.4950 -39.4944 -36.6528 -36.6528 -36.2306 -36.2241
-35.5971 -35.5963 -35.5929 -35.5874 3.4203 3.4342 5.5740 5.5900
6.0414 6.0593 6.4292 6.4534 7.0130 7.0737 7.2495 7.2629
7.6503 7.7543 9.5103 9.5690 10.2957 10.3208 13.8711 13.8753
15.4737 15.4761
k = 0.5795 0.0590 0.3340 ( 6464 PWs) bands (ev):
-68.8781 -68.8781 -39.4950 -39.4944 -36.6528 -36.6528 -36.2308 -36.2241
-35.5971 -35.5964 -35.5929 -35.5873 3.4560 3.4705 5.5563 5.5739
6.0551 6.0758 6.4538 6.4815 6.9993 7.0587 7.2362 7.2430
7.6750 7.7755 9.4019 9.4624 10.2197 10.2453 13.8779 13.8824
15.6077 15.6098
k = 0.5833 0.0481 0.3402 ( 6458 PWs) bands (ev):
-68.8781 -68.8781 -39.4951 -39.4945 -36.6527 -36.6527 -36.2310 -36.2241
-35.5972 -35.5964 -35.5929 -35.5872 3.4921 3.5071 5.5363 5.5554
6.0718 6.0951 6.4789 6.5107 6.9850 7.0423 7.2229 7.2232
7.7005 7.7975 9.2976 9.3597 10.1448 10.1708 13.8844 13.8893
15.7422 15.7439
k = 0.5871 0.0372 0.3464 ( 6466 PWs) bands (ev):
-68.8781 -68.8781 -39.4951 -39.4945 -36.6527 -36.6527 -36.2311 -36.2242
-35.5973 -35.5964 -35.5929 -35.5871 3.5283 3.5439 5.5142 5.5345
6.0916 6.1175 6.5041 6.5407 6.9704 7.0245 7.2039 7.2099
7.7263 7.8198 9.1976 9.2612 10.0710 10.0975 13.8908 13.8960
15.8764 15.8777
k = 0.5909 0.0262 0.3526 ( 6474 PWs) bands (ev):
-68.8781 -68.8781 -39.4951 -39.4945 -36.6527 -36.6526 -36.2313 -36.2242
-35.5973 -35.5965 -35.5928 -35.5870 3.5643 3.5805 5.4903 5.5115
6.1144 6.1428 6.5291 6.5714 6.9558 7.0053 7.1855 7.1975
7.7517 7.8418 9.1027 9.1678 9.9986 10.0256 13.8969 13.9023
16.0096 16.0105
k = 0.5947 0.0153 0.3588 ( 6474 PWs) bands (ev):
-68.8781 -68.8781 -39.4951 -39.4945 -36.6526 -36.6526 -36.2314 -36.2243
-35.5973 -35.5965 -35.5928 -35.5869 3.5999 3.6165 5.4649 5.4867
6.1401 6.1710 6.5533 6.6026 6.9417 6.9850 7.1683 7.1859
7.7762 7.8629 9.0135 9.0800 9.9276 9.9550 13.9028 13.9085
16.1367 16.1386
k = 0.5985 0.0044 0.3649 ( 6482 PWs) bands (ev):
-68.8781 -68.8781 -39.4951 -39.4945 -36.6526 -36.6525 -36.2315 -36.2243
-35.5974 -35.5965 -35.5928 -35.5868 3.6346 3.6517 5.4383 5.4605
6.1685 6.2019 6.5763 6.6339 6.9287 6.9638 7.1525 7.1754
7.7988 7.8822 8.9310 8.9989 9.8582 9.8860 13.9085 13.9143
16.0864 16.0881
k = 0.6023-0.0066 0.3711 ( 6492 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4945 -36.6525 -36.6525 -36.2316 -36.2244
-35.5974 -35.5965 -35.5928 -35.5868 3.6681 3.6855 5.4108 5.4331
6.1994 6.2354 6.5973 6.6650 6.9175 6.9420 7.1385 7.1663
7.8184 7.8986 8.8562 8.9253 9.7906 9.8188 13.9140 13.9200
16.0073 16.0107
k = 0.6061-0.0175 0.3773 ( 6494 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4945 -36.6525 -36.6525 -36.2317 -36.2245
-35.5974 -35.5966 -35.5928 -35.5868 3.6998 3.7177 5.3829 5.4051
6.2325 6.2712 6.6157 6.6954 6.9086 6.9203 7.1264 7.1590
7.8338 7.9108 8.7904 8.8608 9.7248 9.7534 13.9193 13.9253
15.9253 15.9299
k = 0.6098-0.0284 0.3835 ( 6490 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4945 -36.6525 -36.6524 -36.2318 -36.2245
-35.5974 -35.5966 -35.5928 -35.5867 3.7294 3.7476 5.3549 5.3769
6.2673 6.3090 6.6310 6.7244 6.8995 6.9029 7.1166 7.1538
7.8435 7.9172 8.7350 8.8067 9.6611 9.6901 13.9244 13.9305
15.8423 15.8476
k = 0.6136-0.0394 0.3897 ( 6487 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4945 -36.6524 -36.6524 -36.2318 -36.2246
-35.5974 -35.5966 -35.5928 -35.5867 3.7563 3.7747 5.3275 5.3490
6.3031 6.3482 6.6432 6.7511 6.8809 6.9006 7.1095 7.1512
7.8459 7.9164 8.6917 8.7645 9.5997 9.6290 13.9293 13.9353
15.7590 15.7650
k = 0.6174-0.0503 0.3959 ( 6485 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4946 -36.6524 -36.6524 -36.2318 -36.2247
-35.5974 -35.5966 -35.5927 -35.5867 3.7799 3.7984 5.3012 5.3220
6.3386 6.3877 6.6532 6.7739 6.8663 6.9016 7.1057 7.1518
7.8399 7.9073 8.6615 8.7353 9.5407 9.5702 13.9339 13.9400
15.6764 15.6827
k = 0.6212-0.0612 0.4021 ( 6485 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4946 -36.6524 -36.6524 -36.2318 -36.2247
-35.5974 -35.5966 -35.5927 -35.5867 3.7997 3.8182 5.2764 5.2964
6.3723 6.4261 6.6626 6.7911 6.8584 6.9053 7.1058 7.1560
7.8250 7.8895 8.6449 8.7195 9.4843 9.5141 13.9383 13.9443
15.5947 15.6013
k = 0.6250-0.0722 0.4082 ( 6491 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4946 -36.6524 -36.6523 -36.2318 -36.2248
-35.5973 -35.5966 -35.5927 -35.5868 3.8151 3.8334 5.2539 5.2729
6.4019 6.4610 6.6740 6.8021 6.8593 6.9111 7.1105 7.1642
7.8016 7.8632 8.6417 8.7167 9.4308 9.4608 13.9425 13.9484
15.5143 15.5210
k = 0.6250-0.0722 0.4082 ( 6491 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4946 -36.6524 -36.6523 -36.2318 -36.2248
-35.5973 -35.5966 -35.5927 -35.5868 3.8151 3.8334 5.2539 5.2729
6.4019 6.4610 6.6740 6.8021 6.8593 6.9111 7.1105 7.1642
7.8016 7.8632 8.6417 8.7167 9.4308 9.4608 13.9425 13.9484
15.5143 15.5210
k = 0.6184-0.0684 0.4190 ( 6493 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4946 -36.6524 -36.6523 -36.2318 -36.2248
-35.5973 -35.5966 -35.5927 -35.5868 3.8156 3.8339 5.2551 5.2740
6.3986 6.4547 6.6735 6.7938 6.8624 6.9236 7.1104 7.1674
7.8015 7.8631 8.6371 8.7123 9.4314 9.4624 13.9480 13.9539
15.5141 15.5207
k = 0.6118-0.0646 0.4297 ( 6493 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4946 -36.6524 -36.6523 -36.2318 -36.2248
-35.5973 -35.5966 -35.5927 -35.5868 3.8171 3.8355 5.2586 5.2776
6.3885 6.4372 6.6708 6.7769 6.8724 6.9527 7.1108 7.1766
7.8010 7.8628 8.6236 8.6995 9.4330 9.4667 13.9644 13.9702
15.5135 15.5198
k = 0.6053-0.0608 0.4405 ( 6498 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4946 -36.6524 -36.6523 -36.2319 -36.2248
-35.5974 -35.5966 -35.5927 -35.5867 3.8197 3.8381 5.2646 5.2834
6.3717 6.4113 6.6639 6.7604 6.8889 6.9885 7.1132 7.1904
7.8001 7.8623 8.6017 8.6786 9.4358 9.4732 13.9915 13.9973
15.5125 15.5182
k = 0.5987-0.0570 0.4512 ( 6500 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4946 -36.6524 -36.6523 -36.2319 -36.2248
-35.5974 -35.5966 -35.5927 -35.5867 3.8232 3.8417 5.2729 5.2917
6.3478 6.3798 6.6528 6.7472 6.9107 7.0258 7.1193 7.2079
7.7989 7.8617 8.5723 8.6504 9.4396 9.4809 14.0290 14.0347
15.5110 15.5159
k = 0.5921-0.0532 0.4620 ( 6502 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4946 -36.6524 -36.6523 -36.2320 -36.2247
-35.5974 -35.5966 -35.5927 -35.5867 3.8277 3.8462 5.2835 5.3023
6.3174 6.3448 6.6393 6.7364 6.9363 7.0602 7.1322 7.2284
7.7974 7.8611 8.5362 8.6157 9.4442 9.4891 14.0765 14.0821
15.5090 15.5131
k = 0.5855-0.0494 0.4727 ( 6495 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4946 -36.6524 -36.6523 -36.2320 -36.2247
-35.5974 -35.5966 -35.5927 -35.5866 3.8329 3.8515 5.2966 5.3152
6.2813 6.3075 6.6256 6.7267 6.9642 7.0865 7.1562 7.2514
7.7957 7.8606 8.4945 8.5755 9.4490 9.4972 14.1333 14.1390
15.5062 15.5098
k = 0.5789-0.0456 0.4835 ( 6493 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4946 -36.6523 -36.6523 -36.2321 -36.2247
-35.5975 -35.5967 -35.5927 -35.5866 3.8389 3.8576 5.3120 5.3305
6.2412 6.2678 6.6126 6.7173 6.9932 7.1043 7.1909 7.2765
7.7936 7.8603 8.4481 8.5308 9.4537 9.5047 14.1988 14.2047
15.5023 15.5064
k = 0.5724-0.0418 0.4942 ( 6499 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4946 -36.6523 -36.6523 -36.2321 -36.2246
-35.5975 -35.5967 -35.5927 -35.5865 3.8455 3.8643 5.3297 5.3481
6.1985 6.2259 6.6009 6.7079 7.0221 7.1184 7.2311 7.3034
7.7912 7.8603 8.3981 8.4826 9.4580 9.5113 14.2720 14.2785
15.4971 15.5029
k = 0.5658-0.0380 0.5049 ( 6501 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4946 -36.6523 -36.6523 -36.2322 -36.2246
-35.5975 -35.5967 -35.5927 -35.5864 3.8527 3.8716 5.3498 5.3680
6.1542 6.1821 6.5905 6.6984 7.0504 7.1316 7.2733 7.3321
7.7885 7.8610 8.3452 8.4317 9.4617 9.5167 14.3519 14.3594
15.4910 15.4991
k = 0.5592-0.0342 0.5157 ( 6491 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4946 -36.6523 -36.6523 -36.2323 -36.2246
-35.5976 -35.5967 -35.5928 -35.5864 3.8602 3.8792 5.3721 5.3901
6.1089 6.1369 6.5812 6.6890 7.0771 7.1451 7.3155 7.3624
7.7855 7.8623 8.2904 8.3791 9.4645 9.5209 14.4372 14.4462
15.4840 15.4950
k = 0.5526-0.0304 0.5264 ( 6493 PWs) bands (ev):
-68.8781 -68.8781 -39.4953 -39.4946 -36.6523 -36.6523 -36.2323 -36.2245
-35.5976 -35.5967 -35.5928 -35.5863 3.8678 3.8870 5.3967 5.4145
6.0632 6.0907 6.5729 6.6797 7.1017 7.1593 7.3567 7.3944
7.7821 7.8644 8.2346 8.3257 9.4664 9.5239 14.5265 14.5376
15.4765 15.4908
k = 0.5461-0.0266 0.5372 ( 6495 PWs) bands (ev):
-68.8781 -68.8781 -39.4953 -39.4946 -36.6523 -36.6523 -36.2324 -36.2245
-35.5976 -35.5967 -35.5928 -35.5863 3.8755 3.8948 5.4233 5.4410
6.0174 6.0439 6.5656 6.6708 7.1236 7.1741 7.3960 7.4284
7.7785 7.8672 8.1788 8.2724 9.4675 9.5257 14.6177 14.6317
15.4689 15.4866
k = 0.5395-0.0228 0.5479 ( 6493 PWs) bands (ev):
-68.8781 -68.8781 -39.4953 -39.4946 -36.6523 -36.6523 -36.2325 -36.2245
-35.5977 -35.5967 -35.5928 -35.5862 3.8830 3.9024 5.4518 5.4694
5.9719 5.9971 6.5592 6.6623 7.1422 7.1893 7.4327 7.4642
7.7744 7.8704 8.1243 8.2202 9.4678 9.5265 14.7084 14.7258
15.4620 15.4831
k = 0.5329-0.0190 0.5587 ( 6501 PWs) bands (ev):
-68.8781 -68.8781 -39.4953 -39.4946 -36.6523 -36.6523 -36.2325 -36.2245
-35.5977 -35.5967 -35.5928 -35.5862 3.8901 3.9096 5.4818 5.4996
5.9273 5.9508 6.5537 6.6546 7.1577 7.2043 7.4671 7.5009
7.7699 7.8727 8.0732 8.1701 9.4675 9.5264 14.7952 14.8165
15.4572 15.4810
k = 0.5263-0.0152 0.5694 ( 6499 PWs) bands (ev):
-68.8781 -68.8781 -39.4953 -39.4946 -36.6523 -36.6523 -36.2326 -36.2244
-35.5977 -35.5967 -35.5928 -35.5861 3.8965 3.9162 5.5128 5.5312
5.8841 5.9056 6.5491 6.6477 7.1702 7.2180 7.4997 7.5369
7.7646 7.8719 8.0290 8.1235 9.4667 9.5257 14.8740 14.8991
15.4564 15.4814
k = 0.5197-0.0114 0.5801 ( 6495 PWs) bands (ev):
-68.8781 -68.8781 -39.4953 -39.4946 -36.6523 -36.6523 -36.2326 -36.2244
-35.5977 -35.5967 -35.5928 -35.5861 3.9020 3.9218 5.5438 5.5634
5.8436 5.8626 6.5454 6.6418 7.1798 7.2296 7.5301 7.5707
7.7583 7.8635 7.9977 8.0819 9.4656 9.5246 14.9396 14.9679
15.4617 15.4854
k = 0.5132-0.0076 0.5909 ( 6506 PWs) bands (ev):
-68.8781 -68.8781 -39.4953 -39.4946 -36.6523 -36.6523 -36.2326 -36.2244
-35.5978 -35.5967 -35.5928 -35.5861 3.9063 3.9261 5.5727 5.5943
5.8078 5.8238 6.5427 6.6373 7.1868 7.2384 7.5568 7.6008
7.7502 7.8462 7.9835 8.0473 9.4644 9.5235 14.9874 15.0175
15.4736 15.4924
k = 0.5066-0.0038 0.6016 ( 6484 PWs) bands (ev):
-68.8781 -68.8781 -39.4953 -39.4946 -36.6523 -36.6523 -36.2326 -36.2244
-35.5978 -35.5967 -35.5928 -35.5861 3.9091 3.9290 5.5955 5.6197
5.7812 5.7934 6.5410 6.6344 7.1910 7.2438 7.5762 7.6247
7.7397 7.8286 7.9823 8.0224 9.4636 9.5225 15.0150 15.0454
15.4881 15.4997
k = 0.5000-0.0000 0.6124 ( 6476 PWs) bands (ev):
-68.8781 -68.8781 -39.4953 -39.4946 -36.6523 -36.6523 -36.2326 -36.2244
-35.5978 -35.5967 -35.5928 -35.5860 3.9101 3.9300 5.6047 5.6304
5.7711 5.7806 6.5404 6.6333 7.1924 7.2457 7.5834 7.6356
7.7326 7.8217 7.9840 8.0127 9.4632 9.5222 15.0235 15.0538
15.4955 15.5028
k = 0.5000-0.0000 0.6124 ( 6476 PWs) bands (ev):
-68.8781 -68.8781 -39.4953 -39.4946 -36.6523 -36.6523 -36.2326 -36.2244
-35.5978 -35.5967 -35.5928 -35.5860 3.9101 3.9300 5.6047 5.6304
5.7711 5.7806 6.5404 6.6333 7.1924 7.2457 7.5834 7.6356
7.7326 7.8217 7.9840 8.0127 9.4632 9.5222 15.0235 15.0538
15.4955 15.5028
k = 0.5000 0.0078 0.6013 ( 6486 PWs) bands (ev):
-68.8781 -68.8781 -39.4953 -39.4946 -36.6523 -36.6523 -36.2326 -36.2244
-35.5978 -35.5967 -35.5928 -35.5860 3.9077 3.9276 5.6053 5.6310
5.7698 5.7829 6.5412 6.6353 7.1894 7.2416 7.5703 7.6140
7.7505 7.8386 7.9795 8.0265 9.4664 9.5254 15.0164 15.0479
15.4945 15.5089
k = 0.5000 0.0156 0.5903 ( 6504 PWs) bands (ev):
-68.8781 -68.8781 -39.4953 -39.4946 -36.6523 -36.6523 -36.2326 -36.2244
-35.5978 -35.5967 -35.5928 -35.5861 3.9005 3.9204 5.6074 5.6329
5.7677 5.7879 6.5436 6.6409 7.1801 7.2293 7.5392 7.5750
7.7782 7.8773 7.9790 8.0592 9.4760 9.5351 14.9964 15.0305
15.4955 15.5206
k = 0.5000 0.0234 0.5793 ( 6502 PWs) bands (ev):
-68.8781 -68.8781 -39.4953 -39.4945 -36.6523 -36.6523 -36.2326 -36.2244
-35.5978 -35.5967 -35.5928 -35.5861 3.8887 3.9085 5.6106 5.6359
5.7662 5.7945 6.5475 6.6502 7.1641 7.2086 7.5024 7.5380
7.7973 7.9069 8.0047 8.1075 9.4918 9.5512 14.9663 15.0034
15.4968 15.5323
k = 0.5000 0.0312 0.5682 ( 6496 PWs) bands (ev):
-68.8781 -68.8781 -39.4953 -39.4945 -36.6523 -36.6523 -36.2326 -36.2244
-35.5977 -35.5967 -35.5928 -35.5861 3.8726 3.8923 5.6146 5.6398
5.7658 5.8022 6.5530 6.6626 7.1406 7.1802 7.4674 7.5077
7.8054 7.9103 8.0658 8.1695 9.5137 9.5733 14.9287 14.9687
15.4939 15.5392
k = 0.5000 0.0390 0.5572 ( 6502 PWs) bands (ev):
-68.8781 -68.8781 -39.4953 -39.4945 -36.6523 -36.6523 -36.2325 -36.2243
-35.5977 -35.5967 -35.5928 -35.5861 3.8525 3.8720 5.6192 5.6443
5.7666 5.8110 6.5598 6.6778 7.1094 7.1459 7.4374 7.4847
7.8045 7.9025 8.1440 8.2425 9.5414 9.6013 14.8860 14.9284
15.4830 15.5372
k = 0.5000 0.0468 0.5462 ( 6492 PWs) bands (ev):
-68.8781 -68.8781 -39.4953 -39.4945 -36.6524 -36.6523 -36.2324 -36.2243
-35.5977 -35.5967 -35.5928 -35.5862 3.8287 3.8479 5.6239 5.6490
5.7690 5.8209 6.5675 6.6953 7.0716 7.1082 7.4132 7.4680
7.7969 7.8908 8.2302 8.3237 9.5746 9.6349 14.8397 14.8843
15.4621 15.5241
k = 0.5000 0.0546 0.5351 ( 6494 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4945 -36.6524 -36.6524 -36.2323 -36.2243
-35.5977 -35.5967 -35.5928 -35.5862 3.8016 3.8206 5.6285 5.6535
5.7732 5.8317 6.5757 6.7143 7.0290 7.0695 7.3944 7.4563
7.7844 7.8770 8.3215 8.4112 9.6130 9.6738 14.7911 14.8375
15.4312 15.4998
k = 0.5000 0.0624 0.5241 ( 6496 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4945 -36.6524 -36.6524 -36.2322 -36.2243
-35.5977 -35.5966 -35.5928 -35.5863 3.7717 3.7905 5.6328 5.6575
5.7793 5.8433 6.5833 6.7336 6.9846 7.0319 7.3797 7.4480
7.7685 7.8618 8.4170 8.5038 9.6563 9.7175 14.7409 14.7889
15.3915 15.4655
k = 0.5000 0.0702 0.5131 ( 6490 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4945 -36.6525 -36.6524 -36.2321 -36.2242
-35.5976 -35.5966 -35.5928 -35.5864 3.7395 3.7579 5.6365 5.6607
5.7874 5.8555 6.5891 6.7513 6.9416 6.9976 7.3682 7.4422
7.7501 7.8458 8.5160 8.6007 9.7041 9.7658 14.6898 14.7392
15.3448 15.4233
k = 0.5000 0.0780 0.5020 ( 6494 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4945 -36.6525 -36.6525 -36.2320 -36.2242
-35.5976 -35.5966 -35.5928 -35.5864 3.7053 3.7233 5.6397 5.6630
5.7974 5.8683 6.5915 6.7627 6.9052 6.9689 7.3589 7.4382
7.7300 7.8290 8.6182 8.7012 9.7562 9.8184 14.6382 14.6888
15.2926 15.3749
k = 0.5000 0.0858 0.4910 ( 6486 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4945 -36.6525 -36.6525 -36.2319 -36.2242
-35.5976 -35.5966 -35.5928 -35.5865 3.6696 3.6871 5.6423 5.6644
5.8089 5.8814 6.5889 6.7585 6.8848 6.9486 7.3513 7.4355
7.7087 7.8120 8.7234 8.8050 9.8122 9.8749 14.5864 14.6381
15.2362 15.3217
k = 0.5000 0.0936 0.4800 ( 6480 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4945 -36.6526 -36.6525 -36.2317 -36.2241
-35.5975 -35.5965 -35.5928 -35.5866 3.6328 3.6498 5.6443 5.6649
5.8217 5.8946 6.5798 6.7340 6.8841 6.9389 7.3449 7.4338
7.6866 7.7948 8.8314 8.9118 9.8719 9.9350 14.5346 14.5873
15.1765 15.2649
k = 0.5000 0.1014 0.4689 ( 6482 PWs) bands (ev):
-68.8781 -68.8781 -39.4951 -39.4945 -36.6526 -36.6526 -36.2316 -36.2241
-35.5974 -35.5965 -35.5929 -35.5867 3.5951 3.6117 5.6459 5.6648
5.8355 5.9079 6.5641 6.6976 6.8935 6.9416 7.3393 7.4329
7.6642 7.7777 8.9421 9.0214 9.9349 9.9985 14.4832 14.5367
15.1141 15.2050
k = 0.5000 0.1092 0.4579 ( 6482 PWs) bands (ev):
-68.8781 -68.8781 -39.4951 -39.4945 -36.6527 -36.6526 -36.2314 -36.2241
-35.5974 -35.5965 -35.5929 -35.5869 3.5571 3.5731 5.6470 5.6641
5.8498 5.9210 6.5427 6.6571 6.9056 6.9552 7.3346 7.4326
7.6419 7.7609 9.0552 9.1336 10.0010 10.0650 14.4322 14.4865
15.0496 15.1427
k = 0.5000 0.1170 0.4469 ( 6482 PWs) bands (ev):
-68.8781 -68.8781 -39.4951 -39.4945 -36.6527 -36.6527 -36.2312 -36.2241
-35.5973 -35.5964 -35.5929 -35.5870 3.5189 3.5343 5.6476 5.6630
5.8645 5.9337 6.5171 6.6159 6.9195 6.9752 7.3305 7.4328
7.6199 7.7446 9.1707 9.2482 10.0699 10.1343 14.3819 14.4369
14.9831 15.0782
k = 0.5000 0.1248 0.4358 ( 6486 PWs) bands (ev):
-68.8781 -68.8781 -39.4951 -39.4944 -36.6528 -36.6527 -36.2310 -36.2241
-35.5972 -35.5964 -35.5929 -35.5871 3.4808 3.4957 5.6479 5.6615
5.8793 5.9461 6.4891 6.5754 6.9354 6.9979 7.3271 7.4332
7.5986 7.7291 9.2885 9.3650 10.1414 10.2062 14.3323 14.3879
14.9149 15.0118
k = 0.5000 0.1326 0.4248 ( 6480 PWs) bands (ev):
-68.8781 -68.8781 -39.4950 -39.4944 -36.6528 -36.6528 -36.2308 -36.2240
-35.5972 -35.5964 -35.5929 -35.5873 3.4432 3.4575 5.6479 5.6598
5.8940 5.9579 6.4601 6.5363 6.9529 7.0210 7.3243 7.4338
7.5784 7.7143 9.4083 9.4839 10.2153 10.2804 14.2837 14.3398
14.8453 14.9436
k = 0.5000 0.1404 0.4138 ( 6470 PWs) bands (ev):
-68.8781 -68.8781 -39.4950 -39.4944 -36.6529 -36.6528 -36.2306 -36.2240
-35.5971 -35.5963 -35.5929 -35.5874 3.4063 3.4199 5.6475 5.6578
5.9084 5.9690 6.4311 6.4990 6.9714 7.0436 7.3223 7.4342
7.5599 7.7006 9.5300 9.6046 10.2913 10.3566 14.2361 14.2926
14.7742 14.8738
k = 0.5000 0.1482 0.4027 ( 6466 PWs) bands (ev):
-68.8781 -68.8781 -39.4950 -39.4944 -36.6529 -36.6529 -36.2304 -36.2240
-35.5970 -35.5963 -35.5929 -35.5876 3.3702 3.3831 5.6469 5.6556
5.9224 5.9794 6.4029 6.4637 6.9900 7.0648 7.3212 7.4338
7.5437 7.6879 9.6534 9.7269 10.3691 10.4345 14.1896 14.2465
14.7019 14.8024
k = 0.5000 0.1560 0.3917 ( 6470 PWs) bands (ev):
-68.8781 -68.8781 -39.4950 -39.4944 -36.6530 -36.6529 -36.2302 -36.2241
-35.5969 -35.5962 -35.5929 -35.5878 3.3351 3.3475 5.6461 5.6533
5.9357 5.9889 6.3761 6.4306 7.0082 7.0841 7.3209 7.4321
7.5307 7.6764 9.7783 9.8507 10.4485 10.5139 14.1444 14.2016
14.6284 14.7296
k = 0.5000 0.1638 0.3807 ( 6468 PWs) bands (ev):
-68.8781 -68.8781 -39.4949 -39.4944 -36.6530 -36.6530 -36.2299 -36.2241
-35.5968 -35.5962 -35.5929 -35.5879 3.3013 3.3130 5.6449 5.6509
5.9483 5.9973 6.3511 6.3999 7.0255 7.1011 7.3215 7.4282
7.5217 7.6661 9.9044 9.9756 10.5292 10.5944 14.1004 14.1579
14.5540 14.6555
k = 0.5000 0.1716 0.3696 ( 6464 PWs) bands (ev):
-68.8781 -68.8781 -39.4949 -39.4944 -36.6531 -36.6530 -36.2297 -36.2241
-35.5967 -35.5961 -35.5929 -35.5881 3.2689 3.2799 5.6436 5.6484
5.9601 6.0046 6.3282 6.3716 7.0415 7.1157 7.3230 7.4219
7.5173 7.6571 10.0314 10.1013 10.6109 10.6757 14.0577 14.1154
14.4788 14.5803
k = 0.5000 0.1794 0.3586 ( 6462 PWs) bands (ev):
-68.8781 -68.8781 -39.4949 -39.4944 -36.6531 -36.6531 -36.2295 -36.2242
-35.5966 -35.5961 -35.5929 -35.5883 3.2381 3.2484 5.6420 5.6459
5.9709 6.0106 6.3076 6.3458 7.0559 7.1278 7.3253 7.4135
7.5171 7.6494 10.1591 10.2274 10.6933 10.7574 14.0164 14.0742
14.4031 14.5040
k = 0.5000 0.1872 0.3476 ( 6460 PWs) bands (ev):
-68.8781 -68.8781 -39.4948 -39.4944 -36.6532 -36.6531 -36.2292 -36.2242
-35.5965 -35.5960 -35.5929 -35.5885 3.2089 3.2185 5.6403 5.6433
5.9805 6.0153 6.2896 6.3226 7.0685 7.1373 7.3282 7.4040
7.5202 7.6430 10.2869 10.3535 10.7760 10.8391 13.9764 14.0342
14.3273 14.4271
k = 0.5000 0.1951 0.3365 ( 6458 PWs) bands (ev):
-68.8781 -68.8781 -39.4948 -39.4944 -36.6532 -36.6532 -36.2290 -36.2243
-35.5964 -35.5960 -35.5928 -35.5887 3.1814 3.1903 5.6384 5.6407
5.9889 6.0187 6.2741 6.3021 7.0794 7.1446 7.3314 7.3943
7.5258 7.6377 10.4144 10.4791 10.8586 10.9204 13.9376 13.9953
14.2519 14.3498
k = 0.5000 0.2029 0.3255 ( 6452 PWs) bands (ev):
-68.8781 -68.8781 -39.4948 -39.4944 -36.6533 -36.6532 -36.2287 -36.2244
-35.5963 -35.5960 -35.5928 -35.5890 3.1559 3.1641 5.6363 5.6383
5.9959 6.0207 6.2612 6.2843 7.0885 7.1498 7.3347 7.3850
7.5330 7.6336 10.5410 10.6033 10.9408 11.0006 13.9000 13.9573
14.1774 14.2725
k = 0.5000 0.2107 0.3145 ( 6456 PWs) bands (ev):
-68.8781 -68.8781 -39.4948 -39.4944 -36.6533 -36.6532 -36.2285 -36.2245
-35.5962 -35.5959 -35.5927 -35.5892 3.1323 3.1398 5.6341 5.6359
6.0016 6.0215 6.2508 6.2692 7.0960 7.1531 7.3378 7.3766
7.5412 7.6305 10.6658 10.7254 11.0219 11.0792 13.8635 13.9197
14.1046 14.1956
k = 0.5000 0.2185 0.3034 ( 6454 PWs) bands (ev):
-68.8781 -68.8781 -39.4947 -39.4944 -36.6533 -36.6533 -36.2282 -36.2246
-35.5961 -35.5959 -35.5927 -35.5894 3.1108 3.1175 5.6318 5.6336
6.0059 6.0212 6.2426 6.2566 7.1021 7.1547 7.3406 7.3693
7.5500 7.6283 10.7880 10.8442 11.1015 11.1556 13.8280 13.8821
14.0345 14.1197
k = 0.5000 0.2263 0.2924 ( 6452 PWs) bands (ev):
-68.8781 -68.8781 -39.4947 -39.4944 -36.6534 -36.6533 -36.2279 -36.2247
-35.5960 -35.5958 -35.5926 -35.5897 3.0914 3.0974 5.6296 5.6314
6.0089 6.0201 6.2363 6.2466 7.1070 7.1550 7.3429 7.3632
7.5590 7.6267 10.9064 10.9583 11.1791 11.2288 13.7932 13.8437
13.9686 14.0456
k = 0.5000 0.2341 0.2814 ( 6458 PWs) bands (ev):
-68.8781 -68.8781 -39.4947 -39.4944 -36.6534 -36.6534 -36.2277 -36.2248
-35.5959 -35.5958 -35.5925 -35.5899 3.0742 3.0795 5.6275 5.6292
6.0107 6.0184 6.2317 6.2387 7.1111 7.1541 7.3448 7.3584
7.5679 7.6255 11.0193 11.0659 11.2540 11.2981 13.7592 13.8036
13.9082 13.9740
k = 0.5000 0.2419 0.2703 ( 6462 PWs) bands (ev):
-68.8781 -68.8781 -39.4947 -39.4944 -36.6534 -36.6534 -36.2274 -36.2250
-35.5958 -35.5957 -35.5924 -35.5901 3.0593 3.0638 5.6256 5.6273
6.0115 6.0165 6.2284 6.2329 7.1146 7.1522 7.3462 7.3547
7.5765 7.6246 11.1248 11.1646 11.3258 11.3626 13.7259 13.7614
13.8547 13.9062
k = 0.5000 0.2497 0.2593 ( 6458 PWs) bands (ev):
-68.8781 -68.8781 -39.4946 -39.4944 -36.6534 -36.6534 -36.2272 -36.2251
-35.5957 -35.5957 -35.5923 -35.5904 3.0466 3.0503 5.6240 5.6255
6.0116 6.0145 6.2261 6.2286 7.1177 7.1496 7.3471 7.3521
7.5846 7.6237 11.2205 11.2519 11.3935 11.4216 13.6935 13.7183
13.8082 13.8439
k = 0.5000 0.2575 0.2483 ( 6458 PWs) bands (ev):
-68.8781 -68.8781 -39.4946 -39.4944 -36.6535 -36.6534 -36.2269 -36.2253
-35.5957 -35.5957 -35.5922 -35.5906 3.0362 3.0392 5.6226 5.6239
6.0112 6.0127 6.2245 6.2258 7.1207 7.1466 7.3477 7.3502
7.5920 7.6227 11.3033 11.3253 11.4558 11.4741 13.6626 13.6771
13.7681 13.7891
k = 0.5000 0.2653 0.2372 ( 6454 PWs) bands (ev):
-68.8781 -68.8781 -39.4946 -39.4945 -36.6535 -36.6534 -36.2267 -36.2254
-35.5957 -35.5956 -35.5920 -35.5908 3.0282 3.0305 5.6215 5.6226
6.0105 6.0112 6.2234 6.2239 7.1235 7.1432 7.3480 7.3490
7.5986 7.6213 11.3700 11.3832 11.5099 11.5191 13.6343 13.6409
13.7343 13.7444
k = 0.5000 0.2731 0.2262 ( 6458 PWs) bands (ev):
-68.8781 -68.8781 -39.4946 -39.4945 -36.6535 -36.6535 -36.2265 -36.2256
-35.5956 -35.5956 -35.5918 -35.5910 3.0226 3.0241 5.6208 5.6215
6.0099 6.0100 6.2226 6.2229 7.1265 7.1397 7.3480 7.3484
7.6044 7.6193 11.4182 11.4249 11.5520 11.5551 13.6106 13.6126
13.7076 13.7120
k = 0.5000 0.2809 0.2152 ( 6458 PWs) bands (ev):
-68.8781 -68.8781 -39.4945 -39.4945 -36.6535 -36.6535 -36.2263 -36.2258
-35.5956 -35.5956 -35.5917 -35.5912 3.0194 3.0201 5.6204 5.6208
6.0094 6.0094 6.2222 6.2223 7.1296 7.1362 7.3480 7.3481
7.6094 7.6168 11.4471 11.4498 11.5786 11.5790 13.5944 13.5947
13.6906 13.6925
k = 0.5000 0.2887 0.2041 ( 6442 PWs) bands (ev):
-68.8781 -68.8781 -39.4945 -39.4945 -36.6535 -36.6535 -36.2260 -36.2260
-35.5956 -35.5956 -35.5915 -35.5915 3.0185 3.0185 5.6204 5.6204
6.0092 6.0092 6.2221 6.2221 7.1328 7.1328 7.3480 7.3480
7.6135 7.6135 11.4574 11.4574 11.5876 11.5876 13.5885 13.5885
13.6853 13.6853
k = 0.5000 0.2887 0.2041 ( 6442 PWs) bands (ev):
-68.8781 -68.8781 -39.4945 -39.4945 -36.6535 -36.6535 -36.2260 -36.2260
-35.5956 -35.5956 -35.5915 -35.5915 3.0185 3.0185 5.6204 5.6204
6.0092 6.0092 6.2221 6.2221 7.1328 7.1328 7.3480 7.3480
7.6135 7.6135 11.4574 11.4574 11.5876 11.5876 13.5885 13.5885
13.6853 13.6853
k = 0.4962 0.2865 0.2165 ( 6456 PWs) bands (ev):
-68.8781 -68.8781 -39.4945 -39.4945 -36.6535 -36.6535 -36.2263 -36.2258
-35.5956 -35.5956 -35.5916 -35.5913 3.0193 3.0200 5.6204 5.6208
6.0094 6.0094 6.2222 6.2223 7.1297 7.1361 7.3480 7.3480
7.6095 7.6167 11.4476 11.4503 11.5793 11.5794 13.5942 13.5942
13.6903 13.6921
k = 0.4924 0.2843 0.2289 ( 6460 PWs) bands (ev):
-68.8781 -68.8781 -39.4946 -39.4945 -36.6535 -36.6535 -36.2265 -36.2257
-35.5956 -35.5956 -35.5918 -35.5910 3.0223 3.0238 5.6208 5.6215
6.0099 6.0099 6.2226 6.2228 7.1267 7.1395 7.3481 7.3483
7.6048 7.6192 11.4206 11.4265 11.5549 11.5559 13.6102 13.6104
13.7069 13.7101
k = 0.4886 0.2821 0.2412 ( 6458 PWs) bands (ev):
-68.8781 -68.8781 -39.4946 -39.4945 -36.6535 -36.6535 -36.2267 -36.2255
-35.5957 -35.5956 -35.5920 -35.5908 3.0276 3.0298 5.6215 5.6224
6.0107 6.0108 6.2235 6.2236 7.1238 7.1429 7.3481 7.3488
7.5992 7.6211 11.3760 11.3861 11.5170 11.5200 13.6338 13.6346
13.7354 13.7391
k = 0.4848 0.2799 0.2536 ( 6462 PWs) bands (ev):
-68.8781 -68.8781 -39.4946 -39.4944 -36.6535 -36.6534 -36.2269 -36.2253
-35.5957 -35.5957 -35.5921 -35.5906 3.0352 3.0381 5.6225 5.6237
6.0118 6.0119 6.2249 6.2249 7.1210 7.1462 7.3480 7.3497
7.5928 7.6225 11.3142 11.3293 11.4688 11.4747 13.6609 13.6628
13.7764 13.7795
k = 0.4811 0.2777 0.2660 ( 6468 PWs) bands (ev):
-68.8781 -68.8781 -39.4946 -39.4944 -36.6534 -36.6534 -36.2272 -36.2251
-35.5957 -35.5957 -35.5923 -35.5904 3.0449 3.0486 5.6237 5.6252
6.0128 6.0130 6.2268 6.2271 7.1183 7.1492 7.3478 7.3511
7.5857 7.6236 11.2371 11.2571 11.4134 11.4222 13.6877 13.6908
13.8304 13.8321
k = 0.4773 0.2756 0.2784 ( 6463 PWs) bands (ev):
-68.8781 -68.8781 -39.4946 -39.4944 -36.6534 -36.6534 -36.2274 -36.2250
-35.5958 -35.5957 -35.5924 -35.5902 3.0569 3.0613 5.6253 5.6268
6.0139 6.0141 6.2295 6.2302 7.1154 7.1518 7.3472 7.3530
7.5780 7.6246 11.1469 11.1714 11.3526 11.3641 13.7118 13.7157
13.8966 13.8970
k = 0.4735 0.2734 0.2907 ( 6461 PWs) bands (ev):
-68.8781 -68.8781 -39.4947 -39.4944 -36.6534 -36.6534 -36.2276 -36.2248
-35.5959 -35.5958 -35.5925 -35.5899 3.0710 3.0761 5.6270 5.6286
6.0147 6.0151 6.2333 6.2346 7.1124 7.1537 7.3463 7.3554
7.5700 7.6256 11.0466 11.0749 11.2876 11.3013 13.7329 13.7371
13.9728 13.9737
k = 0.4697 0.2712 0.3031 ( 6461 PWs) bands (ev):
-68.8781 -68.8781 -39.4947 -39.4944 -36.6534 -36.6533 -36.2279 -36.2247
-35.5959 -35.5958 -35.5926 -35.5897 3.0872 3.0931 5.6289 5.6303
6.0152 6.0156 6.2383 6.2405 7.1091 7.1547 7.3449 7.3583
7.5617 7.6270 10.9385 10.9702 11.2191 11.2345 13.7511 13.7551
14.0581 14.0600
k = 0.4659 0.2690 0.3155 ( 6455 PWs) bands (ev):
-68.8781 -68.8781 -39.4947 -39.4944 -36.6533 -36.6533 -36.2281 -36.2246
-35.5960 -35.5959 -35.5927 -35.5895 3.1055 3.1121 5.6308 5.6319
6.0154 6.0158 6.2448 6.2480 7.1054 7.1548 7.3428 7.3614
7.5538 7.6291 10.8246 10.8593 11.1477 11.1645 13.7670 13.7704
14.1514 14.1539
k = 0.4621 0.2668 0.3278 ( 6451 PWs) bands (ev):
-68.8781 -68.8781 -39.4948 -39.4944 -36.6533 -36.6533 -36.2284 -36.2245
-35.5961 -35.5959 -35.5927 -35.5893 3.1259 3.1331 5.6325 5.6331
6.0153 6.0155 6.2530 6.2573 7.1011 7.1537 7.3399 7.3642
7.5468 7.6320 10.7067 10.7441 11.0740 11.0920 13.7810 13.7838
14.2515 14.2545
k = 0.4583 0.2646 0.3402 ( 6455 PWs) bands (ev):
-68.8781 -68.8781 -39.4948 -39.4944 -36.6533 -36.6532 -36.2286 -36.2244
-35.5962 -35.5959 -35.5928 -35.5890 3.1481 3.1561 5.6339 5.6340
6.0147 6.0150 6.2630 6.2686 7.0962 7.1514 7.3360 7.3661
7.5415 7.6362 10.5860 10.6260 10.9984 11.0174 13.7936 13.7955
14.3574 14.3607
k = 0.4545 0.2624 0.3526 ( 6453 PWs) bands (ev):
-68.8781 -68.8781 -39.4948 -39.4944 -36.6532 -36.6532 -36.2289 -36.2243
-35.5963 -35.5960 -35.5928 -35.5888 3.1723 3.1809 5.6339 5.6350
6.0138 6.0148 6.2748 6.2818 7.0906 7.1478 7.3310 7.3660
7.5389 7.6419 10.4637 10.5061 10.9214 10.9413 13.8051 13.8062
14.4683 14.4718
k = 0.4508 0.2602 0.3649 ( 6455 PWs) bands (ev):
-68.8781 -68.8781 -39.4948 -39.4944 -36.6532 -36.6531 -36.2291 -36.2242
-35.5964 -35.5960 -35.5928 -35.5886 3.1982 3.2075 5.6328 5.6352
6.0128 6.0149 6.2885 6.2971 7.0842 7.1429 7.3247 7.3632
7.5399 7.6493 10.3406 10.3853 10.8435 10.8642 13.8157 13.8159
14.5836 14.5872
k = 0.4470 0.2581 0.3773 ( 6452 PWs) bands (ev):
-68.8781 -68.8781 -39.4949 -39.4944 -36.6531 -36.6531 -36.2293 -36.2242
-35.5965 -35.5961 -35.5929 -35.5884 3.2259 3.2359 5.6305 5.6344
6.0123 6.0158 6.3041 6.3143 7.0769 7.1368 7.3172 7.3569
7.5452 7.6586 10.2175 10.2645 10.7649 10.7864 13.8250 13.8255
14.7027 14.7064
k = 0.4432 0.2559 0.3897 ( 6449 PWs) bands (ev):
-68.8781 -68.8781 -39.4949 -39.4944 -36.6531 -36.6530 -36.2296 -36.2241
-35.5966 -35.5961 -35.5929 -35.5882 3.2551 3.2658 5.6265 5.6322
6.0125 6.0178 6.3214 6.3334 7.0686 7.1293 7.3084 7.3471
7.5548 7.6699 10.0950 10.1442 10.6861 10.7083 13.8336 13.8348
14.8252 14.8288
k = 0.4394 0.2537 0.4021 ( 6453 PWs) bands (ev):
-68.8781 -68.8781 -39.4949 -39.4944 -36.6530 -36.6530 -36.2298 -36.2241
-35.5967 -35.5962 -35.5929 -35.5880 3.2858 3.2971 5.6207 5.6283
6.0141 6.0215 6.3403 6.3542 7.0594 7.1207 7.2984 7.3341
7.5683 7.6832 9.9738 10.0250 10.6072 10.6300 13.8417 13.8436
14.9506 14.9541
k = 0.4356 0.2515 0.4144 ( 6452 PWs) bands (ev):
-68.8781 -68.8781 -39.4949 -39.4944 -36.6530 -36.6529 -36.2300 -36.2241
-35.5968 -35.5962 -35.5929 -35.5879 3.3178 3.3298 5.6126 5.6224
6.0173 6.0272 6.3607 6.3768 7.0492 7.1108 7.2873 7.3186
7.5853 7.6984 9.8542 9.9074 10.5286 10.5520 13.8495 13.8520
15.0786 15.0818
k = 0.4318 0.2493 0.4268 ( 6453 PWs) bands (ev):
-68.8781 -68.8781 -39.4950 -39.4944 -36.6529 -36.6529 -36.2302 -36.2241
-35.5969 -35.5963 -35.5929 -35.5877 3.3510 3.3637 5.6022 5.6141
6.0227 6.0352 6.3824 6.4009 7.0381 7.0997 7.2753 7.3012
7.6049 7.7155 9.7368 9.7920 10.4503 10.4743 13.8569 13.8601
15.2086 15.2117
k = 0.4280 0.2471 0.4392 ( 6453 PWs) bands (ev):
-68.8781 -68.8781 -39.4950 -39.4944 -36.6529 -36.6528 -36.2304 -36.2241
-35.5970 -35.5963 -35.5929 -35.5876 3.3853 3.3985 5.5894 5.6034
6.0307 6.0459 6.4054 6.4265 7.0259 7.0873 7.2626 7.2825
7.6267 7.7342 9.6220 9.6790 10.3726 10.3972 13.8642 13.8678
15.3405 15.3433
k = 0.4242 0.2449 0.4515 ( 6459 PWs) bands (ev):
-68.8781 -68.8781 -39.4950 -39.4944 -36.6528 -36.6528 -36.2306 -36.2241
-35.5971 -35.5963 -35.5929 -35.5874 3.4203 3.4342 5.5740 5.5900
6.0414 6.0593 6.4292 6.4534 7.0130 7.0737 7.2495 7.2629
7.6503 7.7543 9.5103 9.5690 10.2957 10.3208 13.8711 13.8753
15.4737 15.4761
k = 0.4205 0.2427 0.4639 ( 6464 PWs) bands (ev):
-68.8781 -68.8781 -39.4950 -39.4944 -36.6528 -36.6528 -36.2308 -36.2241
-35.5971 -35.5964 -35.5929 -35.5873 3.4560 3.4705 5.5563 5.5739
6.0551 6.0758 6.4538 6.4815 6.9993 7.0587 7.2362 7.2430
7.6750 7.7755 9.4019 9.4624 10.2197 10.2453 13.8779 13.8824
15.6077 15.6098
k = 0.4167 0.2406 0.4763 ( 6458 PWs) bands (ev):
-68.8781 -68.8781 -39.4951 -39.4945 -36.6527 -36.6527 -36.2310 -36.2241
-35.5972 -35.5964 -35.5929 -35.5872 3.4921 3.5071 5.5363 5.5554
6.0718 6.0951 6.4789 6.5107 6.9850 7.0423 7.2229 7.2232
7.7005 7.7975 9.2976 9.3597 10.1448 10.1708 13.8844 13.8893
15.7422 15.7439
k = 0.4129 0.2384 0.4887 ( 6466 PWs) bands (ev):
-68.8781 -68.8781 -39.4951 -39.4945 -36.6527 -36.6527 -36.2311 -36.2242
-35.5973 -35.5964 -35.5929 -35.5871 3.5283 3.5439 5.5142 5.5345
6.0916 6.1175 6.5041 6.5407 6.9704 7.0245 7.2039 7.2099
7.7263 7.8198 9.1976 9.2612 10.0710 10.0975 13.8908 13.8960
15.8764 15.8777
k = 0.4091 0.2362 0.5010 ( 6474 PWs) bands (ev):
-68.8781 -68.8781 -39.4951 -39.4945 -36.6527 -36.6526 -36.2313 -36.2242
-35.5973 -35.5965 -35.5928 -35.5870 3.5643 3.5805 5.4903 5.5115
6.1144 6.1428 6.5291 6.5714 6.9558 7.0053 7.1855 7.1975
7.7517 7.8418 9.1027 9.1678 9.9986 10.0256 13.8969 13.9023
16.0096 16.0105
k = 0.4053 0.2340 0.5134 ( 6474 PWs) bands (ev):
-68.8781 -68.8781 -39.4951 -39.4945 -36.6526 -36.6526 -36.2314 -36.2243
-35.5973 -35.5965 -35.5928 -35.5869 3.5999 3.6165 5.4649 5.4867
6.1401 6.1710 6.5533 6.6026 6.9417 6.9850 7.1683 7.1859
7.7762 7.8629 9.0135 9.0800 9.9276 9.9550 13.9028 13.9085
16.1367 16.1386
k = 0.4015 0.2318 0.5258 ( 6482 PWs) bands (ev):
-68.8781 -68.8781 -39.4951 -39.4945 -36.6526 -36.6525 -36.2315 -36.2243
-35.5974 -35.5965 -35.5928 -35.5868 3.6346 3.6517 5.4383 5.4605
6.1685 6.2019 6.5763 6.6339 6.9287 6.9638 7.1525 7.1754
7.7988 7.8822 8.9310 8.9989 9.8582 9.8860 13.9085 13.9143
16.0864 16.0881
k = 0.3977 0.2296 0.5381 ( 6492 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4945 -36.6525 -36.6525 -36.2316 -36.2244
-35.5974 -35.5965 -35.5928 -35.5868 3.6681 3.6855 5.4108 5.4331
6.1994 6.2354 6.5973 6.6650 6.9175 6.9420 7.1385 7.1663
7.8184 7.8986 8.8562 8.9253 9.7906 9.8188 13.9140 13.9200
16.0073 16.0107
k = 0.3939 0.2274 0.5505 ( 6494 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4945 -36.6525 -36.6525 -36.2317 -36.2245
-35.5974 -35.5966 -35.5928 -35.5868 3.6998 3.7177 5.3829 5.4051
6.2325 6.2712 6.6157 6.6954 6.9086 6.9203 7.1264 7.1590
7.8338 7.9108 8.7904 8.8608 9.7248 9.7534 13.9193 13.9253
15.9253 15.9299
k = 0.3902 0.2253 0.5629 ( 6490 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4945 -36.6525 -36.6524 -36.2318 -36.2245
-35.5974 -35.5966 -35.5928 -35.5867 3.7294 3.7476 5.3549 5.3769
6.2673 6.3090 6.6310 6.7244 6.8995 6.9029 7.1166 7.1538
7.8435 7.9172 8.7350 8.8067 9.6611 9.6901 13.9244 13.9305
15.8423 15.8476
k = 0.3864 0.2231 0.5753 ( 6487 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4945 -36.6524 -36.6524 -36.2318 -36.2246
-35.5974 -35.5966 -35.5928 -35.5867 3.7563 3.7747 5.3275 5.3490
6.3031 6.3482 6.6432 6.7511 6.8809 6.9006 7.1095 7.1512
7.8459 7.9164 8.6917 8.7645 9.5997 9.6290 13.9293 13.9354
15.7590 15.7650
k = 0.3826 0.2209 0.5876 ( 6485 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4946 -36.6524 -36.6524 -36.2318 -36.2247
-35.5974 -35.5966 -35.5927 -35.5867 3.7799 3.7984 5.3012 5.3220
6.3386 6.3877 6.6532 6.7739 6.8663 6.9016 7.1057 7.1518
7.8399 7.9073 8.6615 8.7353 9.5407 9.5702 13.9339 13.9400
15.6764 15.6827
k = 0.3788 0.2187 0.6000 ( 6485 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4946 -36.6524 -36.6524 -36.2318 -36.2247
-35.5974 -35.5966 -35.5927 -35.5868 3.7997 3.8182 5.2764 5.2964
6.3723 6.4261 6.6626 6.7911 6.8584 6.9053 7.1058 7.1560
7.8250 7.8895 8.6449 8.7195 9.4843 9.5141 13.9383 13.9443
15.5947 15.6013
k = 0.3750 0.2165 0.6124 ( 6491 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4946 -36.6524 -36.6523 -36.2318 -36.2248
-35.5973 -35.5966 -35.5927 -35.5868 3.8151 3.8334 5.2539 5.2729
6.4019 6.4610 6.6740 6.8021 6.8593 6.9111 7.1105 7.1642
7.8016 7.8632 8.6417 8.7167 9.4308 9.4608 13.9425 13.9484
15.5143 15.5210
k = 0.6250-0.0722 0.4082 ( 6491 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4946 -36.6524 -36.6523 -36.2318 -36.2248
-35.5973 -35.5966 -35.5927 -35.5868 3.8151 3.8334 5.2539 5.2729
6.4019 6.4610 6.6740 6.8021 6.8593 6.9111 7.1105 7.1642
7.8016 7.8632 8.6417 8.7167 9.4308 9.4608 13.9425 13.9484
15.5143 15.5210
k = 0.6184-0.0836 0.4082 ( 6487 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4946 -36.6523 -36.6523 -36.2318 -36.2249
-35.5973 -35.5966 -35.5927 -35.5869 3.8364 3.8543 5.2175 5.2346
6.4459 6.5162 6.6995 6.8162 6.8727 6.9252 7.1231 7.1817
7.7555 7.8121 8.6458 8.7212 9.3415 9.3718 13.9494 13.9551
15.3774 15.3844
k = 0.6118-0.0950 0.4082 ( 6491 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4946 -36.6523 -36.6523 -36.2317 -36.2251
-35.5972 -35.5966 -35.5926 -35.5870 3.8554 3.8729 5.1822 5.1975
6.4845 6.5682 6.7306 6.8303 6.8932 6.9443 7.1361 7.1991
7.7121 7.7632 8.6475 8.7229 9.2542 9.2847 13.9561 13.9617
15.2442 15.2514
k = 0.6053-0.1064 0.4082 ( 6487 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4946 -36.6523 -36.6523 -36.2316 -36.2252
-35.5972 -35.5966 -35.5926 -35.5871 3.8724 3.8892 5.1480 5.1617
6.5168 6.6140 6.7671 6.8496 6.9181 6.9688 7.1492 7.2165
7.6721 7.7168 8.6465 8.7215 9.1689 9.1995 13.9627 13.9680
15.1155 15.1226
k = 0.5987-0.1177 0.4082 ( 6487 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4946 -36.6523 -36.6523 -36.2315 -36.2254
-35.5971 -35.5966 -35.5925 -35.5872 3.8873 3.9035 5.1154 5.1274
6.5430 6.6507 6.8071 6.8773 6.9460 6.9994 7.1625 7.2338
7.6360 7.6731 8.6425 8.7167 9.0858 9.1165 13.9689 13.9739
14.9918 14.9989
k = 0.5921-0.1291 0.4082 ( 6495 PWs) bands (ev):
-68.8781 -68.8781 -39.4952 -39.4946 -36.6523 -36.6522 -36.2314 -36.2256
-35.5970 -35.5966 -35.5925 -35.5874 3.9004 3.9159 5.0842 5.0949
6.5644 6.6775 6.8476 6.9126 6.9772 7.0368 7.1757 7.2509
7.6048 7.6326 8.6352 8.7084 9.0051 9.0356 13.9747 13.9794
14.8737 14.8808
k = 0.5855-0.1405 0.4082 ( 6489 PWs) bands (ev):
-68.8781 -68.8781 -39.4951 -39.4947 -36.6522 -36.6522 -36.2313 -36.2257
-35.5970 -35.5966 -35.5924 -35.5875 3.9119 3.9264 5.0549 5.0641
6.5826 6.6963 6.8858 6.9498 7.0140 7.0814 7.1883 7.2678
7.5798 7.5959 8.6245 8.6960 8.9272 8.9570 13.9799 13.9842
14.7620 14.7688
k = 0.5789-0.1519 0.4082 ( 6489 PWs) bands (ev):
-68.8781 -68.8781 -39.4951 -39.4947 -36.6522 -36.6522 -36.2311 -36.2259
-35.5969 -35.5966 -35.5923 -35.5877 3.9218 3.9354 5.0273 5.0353
6.5986 6.7098 6.9201 6.9824 7.0582 7.1316 7.2000 7.2844
7.5630 7.5643 8.6103 8.6792 8.8525 8.8808 13.9844 13.9883
14.6572 14.6637
k = 0.5724-0.1633 0.4082 ( 6481 PWs) bands (ev):
-68.8781 -68.8781 -39.4951 -39.4947 -36.6522 -36.6522 -36.2309 -36.2261
-35.5968 -35.5966 -35.5922 -35.5879 3.9303 3.9429 5.0017 5.0086
6.6134 6.7203 6.9501 7.0082 7.1075 7.1837 7.2099 7.3015
7.5396 7.5565 8.5924 8.6571 8.7819 8.8073 13.9880 13.9914
14.5599 14.5659
k = 0.5658-0.1747 0.4082 ( 6481 PWs) bands (ev):
-68.8781 -68.8781 -39.4951 -39.4947 -36.6522 -36.6522 -36.2308 -36.2263
-35.5968 -35.5966 -35.5921 -35.5881 3.9375 3.9491 4.9782 4.9840
6.6276 6.7292 6.9763 7.0282 7.1572 7.2177 7.2299 7.3220
7.5249 7.5625 8.5709 8.6281 8.7174 8.7366 13.9904 13.9933
14.4707 14.4762
k = 0.5592-0.1861 0.4082 ( 6475 PWs) bands (ev):
-68.8781 -68.8781 -39.4951 -39.4947 -36.6522 -36.6522 -36.2306 -36.2265
-35.5967 -35.5966 -35.5920 -35.5883 3.9436 3.9542 4.9567 4.9617
6.6414 6.7371 6.9989 7.0432 7.1995 7.2276 7.2582 7.3522
7.5243 7.5821 8.5457 8.5896 8.6619 8.6691 13.9913 13.9934
14.3905 14.3953
k = 0.5526-0.1975 0.4082 ( 6471 PWs) bands (ev):
-68.8781 -68.8781 -39.4951 -39.4947 -36.6522 -36.6522 -36.2304 -36.2267
-35.5967 -35.5966 -35.5919 -35.5885 3.9488 3.9582 4.9375 4.9416
6.6551 6.7442 7.0183 7.0534 7.2127 7.2605 7.2658 7.3889
7.5424 7.6145 8.5169 8.5414 8.6052 8.6162 13.9900 13.9913
14.3201 14.3240
k = 0.5461-0.2089 0.4082 ( 6473 PWs) bands (ev):
-68.8781 -68.8781 -39.4950 -39.4948 -36.6521 -36.6521 -36.2302 -36.2269
-35.5966 -35.5966 -35.5917 -35.5887 3.9531 3.9614 4.9204 4.9238
6.6688 6.7506 7.0344 7.0595 7.2125 7.2611 7.3017 7.4214
7.5800 7.6571 8.4849 8.4889 8.5453 8.5755 13.9859 13.9863
14.2605 14.2633
k = 0.5395-0.2203 0.4082 ( 6457 PWs) bands (ev):
-68.8780 -68.8780 -39.4950 -39.4948 -36.6521 -36.6521 -36.2299 -36.2271
-35.5966 -35.5966 -35.5915 -35.5889 3.9566 3.9638 4.9056 4.9084
6.6824 6.7560 7.0472 7.0621 7.2103 7.2508 7.3413 7.4472
7.6318 7.7065 8.4374 8.4497 8.4904 8.5357 13.9779 13.9783
14.2124 14.2142
k = 0.5329-0.2317 0.4082 ( 6459 PWs) bands (ev):
-68.8780 -68.8780 -39.4950 -39.4948 -36.6521 -36.6521 -36.2297 -36.2274
-35.5966 -35.5965 -35.5914 -35.5892 3.9595 3.9655 4.8931 4.8952
6.6958 6.7602 7.0565 7.0621 7.2081 7.2390 7.3782 7.4681
7.6903 7.7591 8.3898 8.4116 8.4418 8.4954 13.9659 13.9670
14.1763 14.1770
k = 0.5263-0.2431 0.4082 ( 6459 PWs) bands (ev):
-68.8780 -68.8780 -39.4950 -39.4948 -36.6521 -36.6521 -36.2295 -36.2276
-35.5965 -35.5965 -35.5912 -35.5894 3.9619 3.9667 4.8828 4.8845
6.7088 6.7628 7.0608 7.0624 7.2063 7.2279 7.4121 7.4850
7.7502 7.8112 8.3478 8.3716 8.4008 8.4548 13.9515 13.9531
14.1510 14.1510
k = 0.5197-0.2545 0.4082 ( 6459 PWs) bands (ev):
-68.8780 -68.8780 -39.4950 -39.4948 -36.6521 -36.6521 -36.2293 -36.2278
-35.5965 -35.5965 -35.5910 -35.5896 3.9638 3.9674 4.8749 4.8761
6.7213 6.7635 7.0594 7.0650 7.2052 7.2189 7.4421 7.4977
7.8074 7.8590 8.3130 8.3327 8.3681 8.4152 13.9369 13.9385
14.1343 14.1346
k = 0.5132-0.2659 0.4082 ( 6449 PWs) bands (ev):
-68.8780 -68.8780 -39.4949 -39.4949 -36.6521 -36.6521 -36.2290 -36.2281
-35.5965 -35.5965 -35.5908 -35.5899 3.9653 3.9677 4.8693 4.8701
6.7328 6.7618 7.0588 7.0649 7.2047 7.2124 7.4675 7.5050
7.8582 7.8973 8.2865 8.2989 8.3445 8.3794 13.9247 13.9260
14.1243 14.1247
k = 0.5066-0.2773 0.4082 ( 6448 PWs) bands (ev):
-68.8780 -68.8780 -39.4949 -39.4949 -36.6521 -36.6521 -36.2288 -36.2283
-35.5965 -35.5965 -35.5905 -35.5901 3.9664 3.9676 4.8660 4.8664
6.7429 6.7578 7.0594 7.0632 7.2048 7.2082 7.4871 7.5061
7.8978 7.9195 8.2698 8.2751 8.3326 8.3510 13.9168 13.9175
14.1192 14.1194
k = 0.5000-0.2887 0.4082 ( 6434 PWs) bands (ev):
-68.8780 -68.8780 -39.4949 -39.4949 -36.6521 -36.6521 -36.2285 -36.2285
-35.5965 -35.5965 -35.5903 -35.5903 3.9671 3.9671 4.8650 4.8650
6.7514 6.7514 7.0610 7.0610 7.2059 7.2059 7.5002 7.5002
7.9199 7.9199 8.2652 8.2652 8.3346 8.3346 13.9143 13.9143
14.1177 14.1177
Writing output data file Li2AlRh.save
init_run : 0.97s CPU 0.60s WALL ( 1 calls)
electrons : 258.52s CPU 154.95s WALL ( 1 calls)
Called by init_run:
wfcinit : 0.01s CPU 0.01s WALL ( 1 calls)
potinit : 0.12s CPU 0.12s WALL ( 1 calls)
Called by electrons:
c_bands : 258.52s CPU 154.93s WALL ( 1 calls)
v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls)
v_h : 0.00s CPU 0.00s WALL ( 1 calls)
v_xc : 0.01s CPU 0.00s WALL ( 1 calls)
newd : 0.22s CPU 0.12s WALL ( 1 calls)
Called by c_bands:
init_us_2 : 0.33s CPU 0.50s WALL ( 352 calls)
cegterg : 217.40s CPU 131.06s WALL ( 360 calls)
Called by sum_band:
Called by *egterg:
h_psi : 185.98s CPU 104.50s WALL ( 5950 calls)
s_psi : 5.86s CPU 3.50s WALL ( 5950 calls)
g_psi : 0.32s CPU 0.22s WALL ( 5238 calls)
cdiaghg : 39.20s CPU 28.06s WALL ( 5590 calls)
cegterg:over : 7.32s CPU 4.58s WALL ( 5238 calls)
cegterg:upda : 6.31s CPU 4.25s WALL ( 5238 calls)
cegterg:last : 3.48s CPU 2.34s WALL ( 1064 calls)
cdiaghg:chol : 2.23s CPU 1.65s WALL ( 5590 calls)
cdiaghg:inve : 0.94s CPU 0.67s WALL ( 5590 calls)
cdiaghg:para : 2.29s CPU 1.68s WALL ( 11180 calls)
Called by h_psi:
h_psi:vloc : 172.80s CPU 96.53s WALL ( 5950 calls)
h_psi:vnl : 12.91s CPU 7.77s WALL ( 5950 calls)
add_vuspsi : 7.28s CPU 4.25s WALL ( 5950 calls)
General routines
calbec : 5.59s CPU 3.50s WALL ( 5950 calls)
fft : 0.10s CPU 0.06s WALL ( 15 calls)
fftw : 164.51s CPU 91.81s WALL ( 473776 calls)
davcio : 0.51s CPU 0.96s WALL ( 704 calls)
Parallel routines
fft_scatter : 60.70s CPU 36.21s WALL ( 473791 calls)
PWSCF : 4m35.36s CPU 3m 2.22s WALL
This run was terminated on: 6: 1:18 11Feb2017
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JOB DONE.
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