Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17: 5:14
This program is part of the open-source Quantum ESPRESSO suite
for quantum simulation of materials; please cite
"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
URL http://www.quantum-espresso.org",
in publications or presentations arising from this work. More details at
http://www.quantum-espresso.org/quote
Parallel version (MPI), running on 36 processors
R & G space division: proc/nbgrp/npool/nimage = 36
Waiting for input...
Reading input from standard input
Current dimensions of program PWSCF are:
Max number of different atomic species (ntypx) = 10
Max number of k-points (npk) = 40000
Max angular momentum in pseudopotentials (lmaxx) = 3
Atomic positions and unit cell read from directory:
./Na3ClO.save/
Subspace diagonalization in iterative solution of the eigenvalue problem:
one sub-group per k-point group (pool) will be used
scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs)
Parallelization info
--------------------
sticks: dense smooth PW G-vecs: dense smooth PW
Min 51 43 12 1671 1253 196
Max 52 44 13 1676 1273 201
Sum 1869 1549 437 60269 45553 7123
bravais-lattice index = 14
lattice parameter (alat) = 8.4962 a.u.
unit-cell volume = 613.3035 (a.u.)^3
number of atoms/cell = 5
number of atomic types = 3
number of electrons = 40.00
number of Kohn-Sham states= 48
kinetic-energy cutoff = 67.0000 Ry
charge density cutoff = 324.0000 Ry
Exchange-correlation = PBE ( 1 4 3 4 0 0)
Non magnetic calculation with spin-orbit
celldm(1)= 8.496208 celldm(2)= 1.000000 celldm(3)= 1.000000
celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000
crystal axes: (cart. coord. in units of alat)
a(1) = ( 1.000000 0.000000 0.000000 )
a(2) = ( 0.000000 1.000000 0.000000 )
a(3) = ( 0.000000 0.000000 1.000000 )
reciprocal axes: (cart. coord. in units 2 pi/alat)
b(1) = ( 1.000000 -0.000000 -0.000000 )
b(2) = ( 0.000000 1.000000 -0.000000 )
b(3) = ( 0.000000 0.000000 1.000000 )
PseudoPot. # 1 for O read from file:
/users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF
MD5 check sum: e551570ea340e0688630c94d366e26e3
Pseudo is Ultrasoft + core correction, Zval = 6.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1095 points, 6 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 1
l(6) = 1
Q(r) pseudized with 0 coefficients
PseudoPot. # 2 for Cl read from file:
/users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF
MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca
Pseudo is Ultrasoft + core correction, Zval = 7.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1157 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 Na read from file:
/users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF
MD5 check sum: 13bcaa2858b974004ed12db349b14e76
Pseudo is Ultrasoft + core correction, Zval = 9.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1121 points, 6 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 1
l(6) = 1
Q(r) pseudized with 0 coefficients
atomic species valence mass pseudopotential
O 6.00 15.99940 O( 1.00)
Cl 7.00 35.45300 Cl( 1.00)
Na 9.00 22.98980 Na( 1.00)
48 Sym. Ops., with inversion, found
s frac. trans.
isym = 1 identity
cryst. s( 1) = ( 1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 2 180 deg rotation - cart. axis [0,0,1]
cryst. s( 2) = ( -1 0 0 )
( 0 -1 0 )
( 0 0 1 )
cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 3 180 deg rotation - cart. axis [0,1,0]
cryst. s( 3) = ( -1 0 0 )
( 0 1 0 )
( 0 0 -1 )
cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 4 180 deg rotation - cart. axis [1,0,0]
cryst. s( 4) = ( 1 0 0 )
( 0 -1 0 )
( 0 0 -1 )
cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 5 180 deg rotation - cart. axis [1,1,0]
cryst. s( 5) = ( 0 1 0 )
( 1 0 0 )
( 0 0 -1 )
cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 )
( 1.0000000 -0.0000000 -0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 6 180 deg rotation - cart. axis [1,-1,0]
cryst. s( 6) = ( 0 -1 0 )
( -1 0 0 )
( 0 0 -1 )
cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 7 90 deg rotation - cart. axis [0,0,-1]
cryst. s( 7) = ( 0 -1 0 )
( 1 0 0 )
( 0 0 1 )
cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 8 90 deg rotation - cart. axis [0,0,1]
cryst. s( 8) = ( 0 1 0 )
( -1 0 0 )
( 0 0 1 )
cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 -0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 9 180 deg rotation - cart. axis [1,0,1]
cryst. s( 9) = ( 0 0 1 )
( 0 -1 0 )
( 1 0 0 )
cart. s( 9) = ( 0.0000000 -0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 -0.0000000 -0.0000000 )
isym = 10 180 deg rotation - cart. axis [-1,0,1]
cryst. s(10) = ( 0 0 -1 )
( 0 -1 0 )
( -1 0 0 )
cart. s(10) = ( -0.0000000 -0.0000000 -1.0000000 )
( -0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 11 90 deg rotation - cart. axis [0,1,0]
cryst. s(11) = ( 0 0 -1 )
( 0 1 0 )
( 1 0 0 )
cart. s(11) = ( -0.0000000 0.0000000 1.0000000 )
( -0.0000000 1.0000000 -0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 12 90 deg rotation - cart. axis [0,-1,0]
cryst. s(12) = ( 0 0 1 )
( 0 1 0 )
( -1 0 0 )
cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
( 1.0000000 -0.0000000 -0.0000000 )
isym = 13 180 deg rotation - cart. axis [0,1,1]
cryst. s(13) = ( -1 0 0 )
( 0 0 1 )
( 0 1 0 )
cart. s(13) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
isym = 14 180 deg rotation - cart. axis [0,1,-1]
cryst. s(14) = ( -1 0 0 )
( 0 0 -1 )
( 0 -1 0 )
cart. s(14) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 15 90 deg rotation - cart. axis [-1,0,0]
cryst. s(15) = ( 1 0 0 )
( 0 0 -1 )
( 0 1 0 )
cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 )
( 0.0000000 -0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 16 90 deg rotation - cart. axis [1,0,0]
cryst. s(16) = ( 1 0 0 )
( 0 0 1 )
( 0 -1 0 )
cart. s(16) = ( 1.0000000 0.0000000 -0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
isym = 17 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(17) = ( 0 0 1 )
( 1 0 0 )
( 0 1 0 )
cart. s(17) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 -0.0000000 1.0000000 )
( 1.0000000 -0.0000000 -0.0000000 )
isym = 18 120 deg rotation - cart. axis [-1,1,1]
cryst. s(18) = ( 0 0 -1 )
( -1 0 0 )
( 0 1 0 )
cart. s(18) = ( -0.0000000 -1.0000000 0.0000000 )
( -0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 19 120 deg rotation - cart. axis [1,1,-1]
cryst. s(19) = ( 0 0 -1 )
( 1 0 0 )
( 0 -1 0 )
cart. s(19) = ( -0.0000000 1.0000000 -0.0000000 )
( -0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 20 120 deg rotation - cart. axis [1,-1,1]
cryst. s(20) = ( 0 0 1 )
( -1 0 0 )
( 0 -1 0 )
cart. s(20) = ( 0.0000000 -1.0000000 -0.0000000 )
( 0.0000000 -0.0000000 -1.0000000 )
( 1.0000000 -0.0000000 -0.0000000 )
isym = 21 120 deg rotation - cart. axis [1,1,1]
cryst. s(21) = ( 0 1 0 )
( 0 0 1 )
( 1 0 0 )
cart. s(21) = ( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 -0.0000000 -0.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
isym = 22 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(22) = ( 0 -1 0 )
( 0 0 -1 )
( 1 0 0 )
cart. s(22) = ( -0.0000000 -0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 23 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(23) = ( 0 -1 0 )
( 0 0 1 )
( -1 0 0 )
cart. s(23) = ( -0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
isym = 24 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(24) = ( 0 1 0 )
( 0 0 -1 )
( -1 0 0 )
cart. s(24) = ( 0.0000000 -0.0000000 -1.0000000 )
( 1.0000000 -0.0000000 -0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 25 inversion
cryst. s(25) = ( -1 0 0 )
( 0 -1 0 )
( 0 0 -1 )
cart. s(25) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 26 inv. 180 deg rotation - cart. axis [0,0,1]
cryst. s(26) = ( 1 0 0 )
( 0 1 0 )
( 0 0 -1 )
cart. s(26) = ( 1.0000000 0.0000000 -0.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 27 inv. 180 deg rotation - cart. axis [0,1,0]
cryst. s(27) = ( 1 0 0 )
( 0 -1 0 )
( 0 0 1 )
cart. s(27) = ( 1.0000000 -0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 28 inv. 180 deg rotation - cart. axis [1,0,0]
cryst. s(28) = ( -1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s(28) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 29 inv. 180 deg rotation - cart. axis [1,1,0]
cryst. s(29) = ( 0 -1 0 )
( -1 0 0 )
( 0 0 1 )
cart. s(29) = ( -0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0]
cryst. s(30) = ( 0 1 0 )
( 1 0 0 )
( 0 0 1 )
cart. s(30) = ( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 -0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1]
cryst. s(31) = ( 0 1 0 )
( -1 0 0 )
( 0 0 -1 )
cart. s(31) = ( 0.0000000 -1.0000000 -0.0000000 )
( 1.0000000 -0.0000000 -0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 32 inv. 90 deg rotation - cart. axis [0,0,1]
cryst. s(32) = ( 0 -1 0 )
( 1 0 0 )
( 0 0 -1 )
cart. s(32) = ( -0.0000000 1.0000000 -0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 33 inv. 180 deg rotation - cart. axis [1,0,1]
cryst. s(33) = ( 0 0 -1 )
( 0 1 0 )
( -1 0 0 )
cart. s(33) = ( -0.0000000 0.0000000 -1.0000000 )
( -0.0000000 1.0000000 -0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 34 inv. 180 deg rotation - cart. axis [-1,0,1]
cryst. s(34) = ( 0 0 1 )
( 0 1 0 )
( 1 0 0 )
cart. s(34) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
( 1.0000000 -0.0000000 -0.0000000 )
isym = 35 inv. 90 deg rotation - cart. axis [0,1,0]
cryst. s(35) = ( 0 0 1 )
( 0 -1 0 )
( -1 0 0 )
cart. s(35) = ( 0.0000000 -0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 -0.0000000 -0.0000000 )
isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0]
cryst. s(36) = ( 0 0 -1 )
( 0 -1 0 )
( 1 0 0 )
cart. s(36) = ( -0.0000000 -0.0000000 1.0000000 )
( -0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 37 inv. 180 deg rotation - cart. axis [0,1,1]
cryst. s(37) = ( 1 0 0 )
( 0 0 -1 )
( 0 -1 0 )
cart. s(37) = ( 1.0000000 -0.0000000 -0.0000000 )
( 0.0000000 -0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1]
cryst. s(38) = ( 1 0 0 )
( 0 0 1 )
( 0 1 0 )
cart. s(38) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0]
cryst. s(39) = ( -1 0 0 )
( 0 0 1 )
( 0 -1 0 )
cart. s(39) = ( -1.0000000 0.0000000 -0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
isym = 40 inv. 90 deg rotation - cart. axis [1,0,0]
cryst. s(40) = ( -1 0 0 )
( 0 0 -1 )
( 0 1 0 )
cart. s(40) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(41) = ( 0 0 -1 )
( -1 0 0 )
( 0 -1 0 )
cart. s(41) = ( -0.0000000 -1.0000000 0.0000000 )
( -0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1]
cryst. s(42) = ( 0 0 1 )
( 1 0 0 )
( 0 -1 0 )
cart. s(42) = ( 0.0000000 1.0000000 -0.0000000 )
( 0.0000000 -0.0000000 -1.0000000 )
( 1.0000000 -0.0000000 -0.0000000 )
isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1]
cryst. s(43) = ( 0 0 1 )
( -1 0 0 )
( 0 1 0 )
cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 -0.0000000 1.0000000 )
( 1.0000000 -0.0000000 -0.0000000 )
isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1]
cryst. s(44) = ( 0 0 -1 )
( 1 0 0 )
( 0 1 0 )
cart. s(44) = ( -0.0000000 1.0000000 0.0000000 )
( -0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 45 inv. 120 deg rotation - cart. axis [1,1,1]
cryst. s(45) = ( 0 -1 0 )
( 0 0 -1 )
( -1 0 0 )
cart. s(45) = ( -0.0000000 -0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(46) = ( 0 1 0 )
( 0 0 1 )
( -1 0 0 )
cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 -0.0000000 -0.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(47) = ( 0 1 0 )
( 0 0 -1 )
( 1 0 0 )
cart. s(47) = ( 0.0000000 -0.0000000 1.0000000 )
( 1.0000000 -0.0000000 -0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(48) = ( 0 -1 0 )
( 0 0 1 )
( 1 0 0 )
cart. s(48) = ( -0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
double point group O_h (m-3m)
there are 16 classes and 6 irreducible representations
the character table:
E -E 8C3 -8C3 3C2 6C4 -6C4 6C2' i -i 8S6 -8S6
-3C2 -6C2'
G_6+ 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 2.00 -2.00 1.00 -1.00
G_7+ 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 2.00 -2.00 1.00 -1.00
G_8+ 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 4.00 -4.00 -1.00 1.00
G_6- 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 -2.00 2.00 -1.00 1.00
G_7- 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 -2.00 2.00 -1.00 1.00
G_8- 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 -4.00 4.00 1.00 -1.00
3s_h 6S4 -6S4 6s_d
-3s_h -6s_d
G_6+ 0.00 1.41 -1.41 0.00
G_7+ 0.00 -1.41 1.41 0.00
G_8+ 0.00 0.00 0.00 0.00
G_6- 0.00 -1.41 1.41 0.00
G_7- 0.00 1.41 -1.41 0.00
G_8- 0.00 0.00 0.00 0.00
the symmetry operations in each class and the name of the first element:
E 1
identity
-E -1
identity E
8C3 17 19 20 18 24 21 22 23
120 deg rotation - cart. axis [-1,-1,-1]
-8C3 -17 -19 -20 -18 -24 -21 -22 -23
120 deg rotation - cart. axis [-1,-1,-1] E
3C2 -3C2 2 -2 4 -4 3 -3
180 deg rotation - cart. axis [0,0,1]
6C4 7 8 15 16 12 11
90 deg rotation - cart. axis [0,0,-1]
-6C4 -7 -8 -15 -16 -12 -11
90 deg rotation - cart. axis [0,0,-1] E
6C2'-6C2' 5 -5 6 -6 14 -13 -14 13 -10 -9 10 9
180 deg rotation - cart. axis [1,1,0]
i 25
inversion
-i -25
inversion E
8S6 41 43 44 42 48 45 46 47
inv. 120 deg rotation - cart. axis [-1,-1,-1]
-8S6 -41 -43 -44 -42 -48 -45 -46 -47
inv. 120 deg rotation - cart. axis [-1,-1,-1] E
3s_h-3s_h 26 -26 28 -28 27 -27
inv. 180 deg rotation - cart. axis [0,0,1]
6S4 31 32 39 40 36 35
inv. 90 deg rotation - cart. axis [0,0,-1]
-6S4 -31 -32 -39 -40 -36 -35
inv. 90 deg rotation - cart. axis [0,0,-1] E
6s_d-6s_d 29 -29 30 -30 38 -37 -38 37 -34 -33 34 33
inv. 180 deg rotation - cart. axis [1,1,0]
Cartesian axes
number of k points= 272 Fermi-Dirac smearing, width (Ry)= 0.0010
cart. coord. in units 2pi/alat
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765
k( 2) = ( 0.0000000 0.0142857 -0.0000000), wk = 0.0036765
k( 3) = ( 0.0000000 0.0285714 -0.0000000), wk = 0.0036765
k( 4) = ( 0.0000000 0.0428571 -0.0000000), wk = 0.0036765
k( 5) = ( 0.0000000 0.0571429 -0.0000000), wk = 0.0036765
k( 6) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0036765
k( 7) = ( 0.0000000 0.0857143 -0.0000000), wk = 0.0036765
k( 8) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0036765
k( 9) = ( 0.0000000 0.1142857 -0.0000000), wk = 0.0036765
k( 10) = ( 0.0000000 0.1285714 -0.0000000), wk = 0.0036765
k( 11) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0036765
k( 12) = ( 0.0000000 0.1571429 -0.0000000), wk = 0.0036765
k( 13) = ( 0.0000000 0.1714286 -0.0000000), wk = 0.0036765
k( 14) = ( 0.0000000 0.1857143 -0.0000000), wk = 0.0036765
k( 15) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0036765
k( 16) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0036765
k( 17) = ( 0.0000000 0.2285714 -0.0000000), wk = 0.0036765
k( 18) = ( 0.0000000 0.2428571 -0.0000000), wk = 0.0036765
k( 19) = ( 0.0000000 0.2571429 -0.0000000), wk = 0.0036765
k( 20) = ( 0.0000000 0.2714286 -0.0000000), wk = 0.0036765
k( 21) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0036765
k( 22) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0036765
k( 23) = ( 0.0000000 0.3142857 -0.0000000), wk = 0.0036765
k( 24) = ( 0.0000000 0.3285714 -0.0000000), wk = 0.0036765
k( 25) = ( 0.0000000 0.3428571 -0.0000000), wk = 0.0036765
k( 26) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0036765
k( 27) = ( 0.0000000 0.3714286 -0.0000000), wk = 0.0036765
k( 28) = ( 0.0000000 0.3857143 -0.0000000), wk = 0.0036765
k( 29) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0036765
k( 30) = ( 0.0000000 0.4142857 -0.0000000), wk = 0.0036765
k( 31) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0036765
k( 32) = ( 0.0000000 0.4428571 -0.0000000), wk = 0.0036765
k( 33) = ( 0.0000000 0.4571429 -0.0000000), wk = 0.0036765
k( 34) = ( 0.0000000 0.4714286 -0.0000000), wk = 0.0036765
k( 35) = ( 0.0000000 0.4857143 -0.0000000), wk = 0.0036765
k( 36) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036765
k( 37) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036765
k( 38) = ( 0.0142857 0.5000000 -0.0000000), wk = 0.0036765
k( 39) = ( 0.0285714 0.5000000 -0.0000000), wk = 0.0036765
k( 40) = ( 0.0428571 0.5000000 -0.0000000), wk = 0.0036765
k( 41) = ( 0.0571429 0.5000000 -0.0000000), wk = 0.0036765
k( 42) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0036765
k( 43) = ( 0.0857143 0.5000000 -0.0000000), wk = 0.0036765
k( 44) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0036765
k( 45) = ( 0.1142857 0.5000000 -0.0000000), wk = 0.0036765
k( 46) = ( 0.1285714 0.5000000 -0.0000000), wk = 0.0036765
k( 47) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0036765
k( 48) = ( 0.1571429 0.5000000 -0.0000000), wk = 0.0036765
k( 49) = ( 0.1714286 0.5000000 -0.0000000), wk = 0.0036765
k( 50) = ( 0.1857143 0.5000000 -0.0000000), wk = 0.0036765
k( 51) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0036765
k( 52) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0036765
k( 53) = ( 0.2285714 0.5000000 -0.0000000), wk = 0.0036765
k( 54) = ( 0.2428571 0.5000000 -0.0000000), wk = 0.0036765
k( 55) = ( 0.2571429 0.5000000 -0.0000000), wk = 0.0036765
k( 56) = ( 0.2714286 0.5000000 -0.0000000), wk = 0.0036765
k( 57) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0036765
k( 58) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0036765
k( 59) = ( 0.3142857 0.5000000 -0.0000000), wk = 0.0036765
k( 60) = ( 0.3285714 0.5000000 -0.0000000), wk = 0.0036765
k( 61) = ( 0.3428571 0.5000000 -0.0000000), wk = 0.0036765
k( 62) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0036765
k( 63) = ( 0.3714286 0.5000000 -0.0000000), wk = 0.0036765
k( 64) = ( 0.3857143 0.5000000 -0.0000000), wk = 0.0036765
k( 65) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0036765
k( 66) = ( 0.4142857 0.5000000 -0.0000000), wk = 0.0036765
k( 67) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0036765
k( 68) = ( 0.4428571 0.5000000 -0.0000000), wk = 0.0036765
k( 69) = ( 0.4571429 0.5000000 -0.0000000), wk = 0.0036765
k( 70) = ( 0.4714286 0.5000000 -0.0000000), wk = 0.0036765
k( 71) = ( 0.4857143 0.5000000 -0.0000000), wk = 0.0036765
k( 72) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036765
k( 73) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036765
k( 74) = ( 0.4900000 0.4900000 -0.0000000), wk = 0.0036765
k( 75) = ( 0.4800000 0.4800000 -0.0000000), wk = 0.0036765
k( 76) = ( 0.4700000 0.4700000 -0.0000000), wk = 0.0036765
k( 77) = ( 0.4600000 0.4600000 -0.0000000), wk = 0.0036765
k( 78) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0036765
k( 79) = ( 0.4400000 0.4400000 -0.0000000), wk = 0.0036765
k( 80) = ( 0.4300000 0.4300000 -0.0000000), wk = 0.0036765
k( 81) = ( 0.4200000 0.4200000 -0.0000000), wk = 0.0036765
k( 82) = ( 0.4100000 0.4100000 -0.0000000), wk = 0.0036765
k( 83) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0036765
k( 84) = ( 0.3900000 0.3900000 -0.0000000), wk = 0.0036765
k( 85) = ( 0.3800000 0.3800000 -0.0000000), wk = 0.0036765
k( 86) = ( 0.3700000 0.3700000 -0.0000000), wk = 0.0036765
k( 87) = ( 0.3600000 0.3600000 -0.0000000), wk = 0.0036765
k( 88) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0036765
k( 89) = ( 0.3400000 0.3400000 -0.0000000), wk = 0.0036765
k( 90) = ( 0.3300000 0.3300000 -0.0000000), wk = 0.0036765
k( 91) = ( 0.3200000 0.3200000 -0.0000000), wk = 0.0036765
k( 92) = ( 0.3100000 0.3100000 -0.0000000), wk = 0.0036765
k( 93) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0036765
k( 94) = ( 0.2900000 0.2900000 -0.0000000), wk = 0.0036765
k( 95) = ( 0.2800000 0.2800000 -0.0000000), wk = 0.0036765
k( 96) = ( 0.2700000 0.2700000 -0.0000000), wk = 0.0036765
k( 97) = ( 0.2600000 0.2600000 -0.0000000), wk = 0.0036765
k( 98) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0036765
k( 99) = ( 0.2400000 0.2400000 -0.0000000), wk = 0.0036765
k( 100) = ( 0.2300000 0.2300000 -0.0000000), wk = 0.0036765
k( 101) = ( 0.2200000 0.2200000 -0.0000000), wk = 0.0036765
k( 102) = ( 0.2100000 0.2100000 -0.0000000), wk = 0.0036765
k( 103) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0036765
k( 104) = ( 0.1900000 0.1900000 -0.0000000), wk = 0.0036765
k( 105) = ( 0.1800000 0.1800000 -0.0000000), wk = 0.0036765
k( 106) = ( 0.1700000 0.1700000 -0.0000000), wk = 0.0036765
k( 107) = ( 0.1600000 0.1600000 -0.0000000), wk = 0.0036765
k( 108) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0036765
k( 109) = ( 0.1400000 0.1400000 -0.0000000), wk = 0.0036765
k( 110) = ( 0.1300000 0.1300000 -0.0000000), wk = 0.0036765
k( 111) = ( 0.1200000 0.1200000 -0.0000000), wk = 0.0036765
k( 112) = ( 0.1100000 0.1100000 -0.0000000), wk = 0.0036765
k( 113) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0036765
k( 114) = ( 0.0900000 0.0900000 -0.0000000), wk = 0.0036765
k( 115) = ( 0.0800000 0.0800000 -0.0000000), wk = 0.0036765
k( 116) = ( 0.0700000 0.0700000 -0.0000000), wk = 0.0036765
k( 117) = ( 0.0600000 0.0600000 -0.0000000), wk = 0.0036765
k( 118) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0036765
k( 119) = ( 0.0400000 0.0400000 -0.0000000), wk = 0.0036765
k( 120) = ( 0.0300000 0.0300000 -0.0000000), wk = 0.0036765
k( 121) = ( 0.0200000 0.0200000 -0.0000000), wk = 0.0036765
k( 122) = ( 0.0100000 0.0100000 -0.0000000), wk = 0.0036765
k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765
k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765
k( 125) = ( 0.0081967 0.0081967 0.0081967), wk = 0.0036765
k( 126) = ( 0.0163934 0.0163934 0.0163934), wk = 0.0036765
k( 127) = ( 0.0245902 0.0245902 0.0245902), wk = 0.0036765
k( 128) = ( 0.0327869 0.0327869 0.0327869), wk = 0.0036765
k( 129) = ( 0.0409836 0.0409836 0.0409836), wk = 0.0036765
k( 130) = ( 0.0491803 0.0491803 0.0491803), wk = 0.0036765
k( 131) = ( 0.0573770 0.0573770 0.0573770), wk = 0.0036765
k( 132) = ( 0.0655738 0.0655738 0.0655738), wk = 0.0036765
k( 133) = ( 0.0737705 0.0737705 0.0737705), wk = 0.0036765
k( 134) = ( 0.0819672 0.0819672 0.0819672), wk = 0.0036765
k( 135) = ( 0.0901639 0.0901639 0.0901639), wk = 0.0036765
k( 136) = ( 0.0983607 0.0983607 0.0983607), wk = 0.0036765
k( 137) = ( 0.1065574 0.1065574 0.1065574), wk = 0.0036765
k( 138) = ( 0.1147541 0.1147541 0.1147541), wk = 0.0036765
k( 139) = ( 0.1229508 0.1229508 0.1229508), wk = 0.0036765
k( 140) = ( 0.1311475 0.1311475 0.1311475), wk = 0.0036765
k( 141) = ( 0.1393443 0.1393443 0.1393443), wk = 0.0036765
k( 142) = ( 0.1475410 0.1475410 0.1475410), wk = 0.0036765
k( 143) = ( 0.1557377 0.1557377 0.1557377), wk = 0.0036765
k( 144) = ( 0.1639344 0.1639344 0.1639344), wk = 0.0036765
k( 145) = ( 0.1721312 0.1721311 0.1721311), wk = 0.0036765
k( 146) = ( 0.1803279 0.1803279 0.1803279), wk = 0.0036765
k( 147) = ( 0.1885246 0.1885246 0.1885246), wk = 0.0036765
k( 148) = ( 0.1967213 0.1967213 0.1967213), wk = 0.0036765
k( 149) = ( 0.2049180 0.2049180 0.2049180), wk = 0.0036765
k( 150) = ( 0.2131147 0.2131147 0.2131147), wk = 0.0036765
k( 151) = ( 0.2213115 0.2213115 0.2213115), wk = 0.0036765
k( 152) = ( 0.2295082 0.2295082 0.2295082), wk = 0.0036765
k( 153) = ( 0.2377049 0.2377049 0.2377049), wk = 0.0036765
k( 154) = ( 0.2459016 0.2459016 0.2459016), wk = 0.0036765
k( 155) = ( 0.2540984 0.2540984 0.2540984), wk = 0.0036765
k( 156) = ( 0.2622951 0.2622951 0.2622951), wk = 0.0036765
k( 157) = ( 0.2704918 0.2704918 0.2704918), wk = 0.0036765
k( 158) = ( 0.2786885 0.2786885 0.2786885), wk = 0.0036765
k( 159) = ( 0.2868852 0.2868852 0.2868852), wk = 0.0036765
k( 160) = ( 0.2950820 0.2950820 0.2950820), wk = 0.0036765
k( 161) = ( 0.3032787 0.3032787 0.3032787), wk = 0.0036765
k( 162) = ( 0.3114754 0.3114754 0.3114754), wk = 0.0036765
k( 163) = ( 0.3196721 0.3196721 0.3196721), wk = 0.0036765
k( 164) = ( 0.3278688 0.3278688 0.3278688), wk = 0.0036765
k( 165) = ( 0.3360656 0.3360656 0.3360656), wk = 0.0036765
k( 166) = ( 0.3442623 0.3442623 0.3442623), wk = 0.0036765
k( 167) = ( 0.3524590 0.3524590 0.3524590), wk = 0.0036765
k( 168) = ( 0.3606557 0.3606557 0.3606557), wk = 0.0036765
k( 169) = ( 0.3688525 0.3688525 0.3688525), wk = 0.0036765
k( 170) = ( 0.3770492 0.3770492 0.3770492), wk = 0.0036765
k( 171) = ( 0.3852459 0.3852459 0.3852459), wk = 0.0036765
k( 172) = ( 0.3934426 0.3934426 0.3934426), wk = 0.0036765
k( 173) = ( 0.4016393 0.4016393 0.4016393), wk = 0.0036765
k( 174) = ( 0.4098361 0.4098361 0.4098361), wk = 0.0036765
k( 175) = ( 0.4180328 0.4180328 0.4180328), wk = 0.0036765
k( 176) = ( 0.4262295 0.4262295 0.4262295), wk = 0.0036765
k( 177) = ( 0.4344262 0.4344262 0.4344262), wk = 0.0036765
k( 178) = ( 0.4426230 0.4426229 0.4426229), wk = 0.0036765
k( 179) = ( 0.4508197 0.4508197 0.4508197), wk = 0.0036765
k( 180) = ( 0.4590164 0.4590164 0.4590164), wk = 0.0036765
k( 181) = ( 0.4672131 0.4672131 0.4672131), wk = 0.0036765
k( 182) = ( 0.4754098 0.4754098 0.4754098), wk = 0.0036765
k( 183) = ( 0.4836066 0.4836066 0.4836066), wk = 0.0036765
k( 184) = ( 0.4918033 0.4918033 0.4918033), wk = 0.0036765
k( 185) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036765
k( 186) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036765
k( 187) = ( 0.4900000 0.5000000 0.4900000), wk = 0.0036765
k( 188) = ( 0.4800000 0.5000000 0.4800000), wk = 0.0036765
k( 189) = ( 0.4700000 0.5000000 0.4700000), wk = 0.0036765
k( 190) = ( 0.4600000 0.5000000 0.4600000), wk = 0.0036765
k( 191) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0036765
k( 192) = ( 0.4400000 0.5000000 0.4400000), wk = 0.0036765
k( 193) = ( 0.4300000 0.5000000 0.4300000), wk = 0.0036765
k( 194) = ( 0.4200000 0.5000000 0.4200000), wk = 0.0036765
k( 195) = ( 0.4100000 0.5000000 0.4100000), wk = 0.0036765
k( 196) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0036765
k( 197) = ( 0.3900000 0.5000000 0.3900000), wk = 0.0036765
k( 198) = ( 0.3800000 0.5000000 0.3800000), wk = 0.0036765
k( 199) = ( 0.3700000 0.5000000 0.3700000), wk = 0.0036765
k( 200) = ( 0.3600000 0.5000000 0.3600000), wk = 0.0036765
k( 201) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0036765
k( 202) = ( 0.3400000 0.5000000 0.3400000), wk = 0.0036765
k( 203) = ( 0.3300000 0.5000000 0.3300000), wk = 0.0036765
k( 204) = ( 0.3200000 0.5000000 0.3200000), wk = 0.0036765
k( 205) = ( 0.3100000 0.5000000 0.3100000), wk = 0.0036765
k( 206) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0036765
k( 207) = ( 0.2900000 0.5000000 0.2900000), wk = 0.0036765
k( 208) = ( 0.2800000 0.5000000 0.2800000), wk = 0.0036765
k( 209) = ( 0.2700000 0.5000000 0.2700000), wk = 0.0036765
k( 210) = ( 0.2600000 0.5000000 0.2600000), wk = 0.0036765
k( 211) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0036765
k( 212) = ( 0.2400000 0.5000000 0.2400000), wk = 0.0036765
k( 213) = ( 0.2300000 0.5000000 0.2300000), wk = 0.0036765
k( 214) = ( 0.2200000 0.5000000 0.2200000), wk = 0.0036765
k( 215) = ( 0.2100000 0.5000000 0.2100000), wk = 0.0036765
k( 216) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0036765
k( 217) = ( 0.1900000 0.5000000 0.1900000), wk = 0.0036765
k( 218) = ( 0.1800000 0.5000000 0.1800000), wk = 0.0036765
k( 219) = ( 0.1700000 0.5000000 0.1700000), wk = 0.0036765
k( 220) = ( 0.1600000 0.5000000 0.1600000), wk = 0.0036765
k( 221) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0036765
k( 222) = ( 0.1400000 0.5000000 0.1400000), wk = 0.0036765
k( 223) = ( 0.1300000 0.5000000 0.1300000), wk = 0.0036765
k( 224) = ( 0.1200000 0.5000000 0.1200000), wk = 0.0036765
k( 225) = ( 0.1100000 0.5000000 0.1100000), wk = 0.0036765
k( 226) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0036765
k( 227) = ( 0.0900000 0.5000000 0.0900000), wk = 0.0036765
k( 228) = ( 0.0800000 0.5000000 0.0800000), wk = 0.0036765
k( 229) = ( 0.0700000 0.5000000 0.0700000), wk = 0.0036765
k( 230) = ( 0.0600000 0.5000000 0.0600000), wk = 0.0036765
k( 231) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0036765
k( 232) = ( 0.0400000 0.5000000 0.0400000), wk = 0.0036765
k( 233) = ( 0.0300000 0.5000000 0.0300000), wk = 0.0036765
k( 234) = ( 0.0200000 0.5000000 0.0200000), wk = 0.0036765
k( 235) = ( 0.0100000 0.5000000 0.0100000), wk = 0.0036765
k( 236) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036765
k( 237) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036765
k( 238) = ( 0.5000000 0.5000000 0.0142857), wk = 0.0036765
k( 239) = ( 0.5000000 0.5000000 0.0285714), wk = 0.0036765
k( 240) = ( 0.5000000 0.5000000 0.0428571), wk = 0.0036765
k( 241) = ( 0.5000000 0.5000000 0.0571429), wk = 0.0036765
k( 242) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0036765
k( 243) = ( 0.5000000 0.5000000 0.0857143), wk = 0.0036765
k( 244) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0036765
k( 245) = ( 0.5000000 0.5000000 0.1142857), wk = 0.0036765
k( 246) = ( 0.5000000 0.5000000 0.1285714), wk = 0.0036765
k( 247) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0036765
k( 248) = ( 0.5000000 0.5000000 0.1571429), wk = 0.0036765
k( 249) = ( 0.5000000 0.5000000 0.1714286), wk = 0.0036765
k( 250) = ( 0.5000000 0.5000000 0.1857143), wk = 0.0036765
k( 251) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0036765
k( 252) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0036765
k( 253) = ( 0.5000000 0.5000000 0.2285714), wk = 0.0036765
k( 254) = ( 0.5000000 0.5000000 0.2428571), wk = 0.0036765
k( 255) = ( 0.5000000 0.5000000 0.2571429), wk = 0.0036765
k( 256) = ( 0.5000000 0.5000000 0.2714286), wk = 0.0036765
k( 257) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0036765
k( 258) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0036765
k( 259) = ( 0.5000000 0.5000000 0.3142857), wk = 0.0036765
k( 260) = ( 0.5000000 0.5000000 0.3285714), wk = 0.0036765
k( 261) = ( 0.5000000 0.5000000 0.3428571), wk = 0.0036765
k( 262) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0036765
k( 263) = ( 0.5000000 0.5000000 0.3714286), wk = 0.0036765
k( 264) = ( 0.5000000 0.5000000 0.3857143), wk = 0.0036765
k( 265) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0036765
k( 266) = ( 0.5000000 0.5000000 0.4142857), wk = 0.0036765
k( 267) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0036765
k( 268) = ( 0.5000000 0.5000000 0.4428571), wk = 0.0036765
k( 269) = ( 0.5000000 0.5000000 0.4571429), wk = 0.0036765
k( 270) = ( 0.5000000 0.5000000 0.4714286), wk = 0.0036765
k( 271) = ( 0.5000000 0.5000000 0.4857143), wk = 0.0036765
k( 272) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036765
cryst. coord.
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765
k( 2) = ( 0.0000000 0.0142857 0.0000000), wk = 0.0036765
k( 3) = ( 0.0000000 0.0285714 0.0000000), wk = 0.0036765
k( 4) = ( 0.0000000 0.0428571 0.0000000), wk = 0.0036765
k( 5) = ( 0.0000000 0.0571429 0.0000000), wk = 0.0036765
k( 6) = ( 0.0000000 0.0714286 0.0000000), wk = 0.0036765
k( 7) = ( 0.0000000 0.0857143 0.0000000), wk = 0.0036765
k( 8) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0036765
k( 9) = ( 0.0000000 0.1142857 0.0000000), wk = 0.0036765
k( 10) = ( 0.0000000 0.1285714 0.0000000), wk = 0.0036765
k( 11) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0036765
k( 12) = ( 0.0000000 0.1571429 0.0000000), wk = 0.0036765
k( 13) = ( 0.0000000 0.1714286 0.0000000), wk = 0.0036765
k( 14) = ( 0.0000000 0.1857143 0.0000000), wk = 0.0036765
k( 15) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0036765
k( 16) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0036765
k( 17) = ( 0.0000000 0.2285714 0.0000000), wk = 0.0036765
k( 18) = ( 0.0000000 0.2428571 0.0000000), wk = 0.0036765
k( 19) = ( 0.0000000 0.2571429 0.0000000), wk = 0.0036765
k( 20) = ( 0.0000000 0.2714286 0.0000000), wk = 0.0036765
k( 21) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0036765
k( 22) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0036765
k( 23) = ( 0.0000000 0.3142857 0.0000000), wk = 0.0036765
k( 24) = ( 0.0000000 0.3285714 0.0000000), wk = 0.0036765
k( 25) = ( 0.0000000 0.3428571 0.0000000), wk = 0.0036765
k( 26) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0036765
k( 27) = ( 0.0000000 0.3714286 0.0000000), wk = 0.0036765
k( 28) = ( 0.0000000 0.3857143 0.0000000), wk = 0.0036765
k( 29) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0036765
k( 30) = ( 0.0000000 0.4142857 0.0000000), wk = 0.0036765
k( 31) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0036765
k( 32) = ( 0.0000000 0.4428571 0.0000000), wk = 0.0036765
k( 33) = ( 0.0000000 0.4571429 0.0000000), wk = 0.0036765
k( 34) = ( 0.0000000 0.4714286 0.0000000), wk = 0.0036765
k( 35) = ( 0.0000000 0.4857143 0.0000000), wk = 0.0036765
k( 36) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036765
k( 37) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036765
k( 38) = ( 0.0142857 0.5000000 0.0000000), wk = 0.0036765
k( 39) = ( 0.0285714 0.5000000 0.0000000), wk = 0.0036765
k( 40) = ( 0.0428571 0.5000000 0.0000000), wk = 0.0036765
k( 41) = ( 0.0571429 0.5000000 0.0000000), wk = 0.0036765
k( 42) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0036765
k( 43) = ( 0.0857143 0.5000000 0.0000000), wk = 0.0036765
k( 44) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0036765
k( 45) = ( 0.1142857 0.5000000 0.0000000), wk = 0.0036765
k( 46) = ( 0.1285714 0.5000000 0.0000000), wk = 0.0036765
k( 47) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0036765
k( 48) = ( 0.1571429 0.5000000 0.0000000), wk = 0.0036765
k( 49) = ( 0.1714286 0.5000000 0.0000000), wk = 0.0036765
k( 50) = ( 0.1857143 0.5000000 0.0000000), wk = 0.0036765
k( 51) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0036765
k( 52) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0036765
k( 53) = ( 0.2285714 0.5000000 0.0000000), wk = 0.0036765
k( 54) = ( 0.2428571 0.5000000 0.0000000), wk = 0.0036765
k( 55) = ( 0.2571429 0.5000000 0.0000000), wk = 0.0036765
k( 56) = ( 0.2714286 0.5000000 0.0000000), wk = 0.0036765
k( 57) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0036765
k( 58) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0036765
k( 59) = ( 0.3142857 0.5000000 -0.0000000), wk = 0.0036765
k( 60) = ( 0.3285714 0.5000000 0.0000000), wk = 0.0036765
k( 61) = ( 0.3428571 0.5000000 0.0000000), wk = 0.0036765
k( 62) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0036765
k( 63) = ( 0.3714286 0.5000000 0.0000000), wk = 0.0036765
k( 64) = ( 0.3857143 0.5000000 0.0000000), wk = 0.0036765
k( 65) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0036765
k( 66) = ( 0.4142857 0.5000000 0.0000000), wk = 0.0036765
k( 67) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0036765
k( 68) = ( 0.4428571 0.5000000 0.0000000), wk = 0.0036765
k( 69) = ( 0.4571429 0.5000000 0.0000000), wk = 0.0036765
k( 70) = ( 0.4714286 0.5000000 0.0000000), wk = 0.0036765
k( 71) = ( 0.4857143 0.5000000 0.0000000), wk = 0.0036765
k( 72) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0036765
k( 73) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0036765
k( 74) = ( 0.4900000 0.4900000 0.0000000), wk = 0.0036765
k( 75) = ( 0.4800000 0.4800000 0.0000000), wk = 0.0036765
k( 76) = ( 0.4700000 0.4700000 0.0000000), wk = 0.0036765
k( 77) = ( 0.4600000 0.4600000 0.0000000), wk = 0.0036765
k( 78) = ( 0.4500000 0.4500000 0.0000000), wk = 0.0036765
k( 79) = ( 0.4400000 0.4400000 0.0000000), wk = 0.0036765
k( 80) = ( 0.4300000 0.4300000 0.0000000), wk = 0.0036765
k( 81) = ( 0.4200000 0.4200000 0.0000000), wk = 0.0036765
k( 82) = ( 0.4100000 0.4100000 0.0000000), wk = 0.0036765
k( 83) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0036765
k( 84) = ( 0.3900000 0.3900000 0.0000000), wk = 0.0036765
k( 85) = ( 0.3800000 0.3800000 0.0000000), wk = 0.0036765
k( 86) = ( 0.3700000 0.3700000 0.0000000), wk = 0.0036765
k( 87) = ( 0.3600000 0.3600000 0.0000000), wk = 0.0036765
k( 88) = ( 0.3500000 0.3500000 0.0000000), wk = 0.0036765
k( 89) = ( 0.3400000 0.3400000 0.0000000), wk = 0.0036765
k( 90) = ( 0.3300000 0.3300000 0.0000000), wk = 0.0036765
k( 91) = ( 0.3200000 0.3200000 0.0000000), wk = 0.0036765
k( 92) = ( 0.3100000 0.3100000 0.0000000), wk = 0.0036765
k( 93) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0036765
k( 94) = ( 0.2900000 0.2900000 0.0000000), wk = 0.0036765
k( 95) = ( 0.2800000 0.2800000 0.0000000), wk = 0.0036765
k( 96) = ( 0.2700000 0.2700000 0.0000000), wk = 0.0036765
k( 97) = ( 0.2600000 0.2600000 0.0000000), wk = 0.0036765
k( 98) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0036765
k( 99) = ( 0.2400000 0.2400000 0.0000000), wk = 0.0036765
k( 100) = ( 0.2300000 0.2300000 0.0000000), wk = 0.0036765
k( 101) = ( 0.2200000 0.2200000 0.0000000), wk = 0.0036765
k( 102) = ( 0.2100000 0.2100000 0.0000000), wk = 0.0036765
k( 103) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0036765
k( 104) = ( 0.1900000 0.1900000 0.0000000), wk = 0.0036765
k( 105) = ( 0.1800000 0.1800000 0.0000000), wk = 0.0036765
k( 106) = ( 0.1700000 0.1700000 0.0000000), wk = 0.0036765
k( 107) = ( 0.1600000 0.1600000 0.0000000), wk = 0.0036765
k( 108) = ( 0.1500000 0.1500000 0.0000000), wk = 0.0036765
k( 109) = ( 0.1400000 0.1400000 0.0000000), wk = 0.0036765
k( 110) = ( 0.1300000 0.1300000 0.0000000), wk = 0.0036765
k( 111) = ( 0.1200000 0.1200000 0.0000000), wk = 0.0036765
k( 112) = ( 0.1100000 0.1100000 0.0000000), wk = 0.0036765
k( 113) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0036765
k( 114) = ( 0.0900000 0.0900000 0.0000000), wk = 0.0036765
k( 115) = ( 0.0800000 0.0800000 0.0000000), wk = 0.0036765
k( 116) = ( 0.0700000 0.0700000 0.0000000), wk = 0.0036765
k( 117) = ( 0.0600000 0.0600000 0.0000000), wk = 0.0036765
k( 118) = ( 0.0500000 0.0500000 0.0000000), wk = 0.0036765
k( 119) = ( 0.0400000 0.0400000 0.0000000), wk = 0.0036765
k( 120) = ( 0.0300000 0.0300000 0.0000000), wk = 0.0036765
k( 121) = ( 0.0200000 0.0200000 0.0000000), wk = 0.0036765
k( 122) = ( 0.0100000 0.0100000 0.0000000), wk = 0.0036765
k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765
k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765
k( 125) = ( 0.0081967 0.0081967 0.0081967), wk = 0.0036765
k( 126) = ( 0.0163934 0.0163934 0.0163934), wk = 0.0036765
k( 127) = ( 0.0245902 0.0245902 0.0245902), wk = 0.0036765
k( 128) = ( 0.0327869 0.0327869 0.0327869), wk = 0.0036765
k( 129) = ( 0.0409836 0.0409836 0.0409836), wk = 0.0036765
k( 130) = ( 0.0491803 0.0491803 0.0491803), wk = 0.0036765
k( 131) = ( 0.0573770 0.0573770 0.0573770), wk = 0.0036765
k( 132) = ( 0.0655738 0.0655738 0.0655738), wk = 0.0036765
k( 133) = ( 0.0737705 0.0737705 0.0737705), wk = 0.0036765
k( 134) = ( 0.0819672 0.0819672 0.0819672), wk = 0.0036765
k( 135) = ( 0.0901639 0.0901639 0.0901639), wk = 0.0036765
k( 136) = ( 0.0983607 0.0983607 0.0983607), wk = 0.0036765
k( 137) = ( 0.1065574 0.1065574 0.1065574), wk = 0.0036765
k( 138) = ( 0.1147541 0.1147541 0.1147541), wk = 0.0036765
k( 139) = ( 0.1229508 0.1229508 0.1229508), wk = 0.0036765
k( 140) = ( 0.1311475 0.1311475 0.1311475), wk = 0.0036765
k( 141) = ( 0.1393443 0.1393443 0.1393443), wk = 0.0036765
k( 142) = ( 0.1475410 0.1475410 0.1475410), wk = 0.0036765
k( 143) = ( 0.1557377 0.1557377 0.1557377), wk = 0.0036765
k( 144) = ( 0.1639344 0.1639344 0.1639344), wk = 0.0036765
k( 145) = ( 0.1721312 0.1721312 0.1721312), wk = 0.0036765
k( 146) = ( 0.1803279 0.1803279 0.1803279), wk = 0.0036765
k( 147) = ( 0.1885246 0.1885246 0.1885246), wk = 0.0036765
k( 148) = ( 0.1967213 0.1967213 0.1967213), wk = 0.0036765
k( 149) = ( 0.2049180 0.2049180 0.2049180), wk = 0.0036765
k( 150) = ( 0.2131147 0.2131147 0.2131147), wk = 0.0036765
k( 151) = ( 0.2213115 0.2213115 0.2213115), wk = 0.0036765
k( 152) = ( 0.2295082 0.2295082 0.2295082), wk = 0.0036765
k( 153) = ( 0.2377049 0.2377049 0.2377049), wk = 0.0036765
k( 154) = ( 0.2459016 0.2459016 0.2459016), wk = 0.0036765
k( 155) = ( 0.2540984 0.2540984 0.2540984), wk = 0.0036765
k( 156) = ( 0.2622951 0.2622951 0.2622951), wk = 0.0036765
k( 157) = ( 0.2704918 0.2704918 0.2704918), wk = 0.0036765
k( 158) = ( 0.2786885 0.2786885 0.2786885), wk = 0.0036765
k( 159) = ( 0.2868852 0.2868852 0.2868852), wk = 0.0036765
k( 160) = ( 0.2950820 0.2950820 0.2950820), wk = 0.0036765
k( 161) = ( 0.3032787 0.3032787 0.3032787), wk = 0.0036765
k( 162) = ( 0.3114754 0.3114754 0.3114754), wk = 0.0036765
k( 163) = ( 0.3196721 0.3196721 0.3196721), wk = 0.0036765
k( 164) = ( 0.3278688 0.3278688 0.3278688), wk = 0.0036765
k( 165) = ( 0.3360656 0.3360656 0.3360656), wk = 0.0036765
k( 166) = ( 0.3442623 0.3442623 0.3442623), wk = 0.0036765
k( 167) = ( 0.3524590 0.3524590 0.3524590), wk = 0.0036765
k( 168) = ( 0.3606557 0.3606557 0.3606557), wk = 0.0036765
k( 169) = ( 0.3688525 0.3688525 0.3688525), wk = 0.0036765
k( 170) = ( 0.3770492 0.3770492 0.3770492), wk = 0.0036765
k( 171) = ( 0.3852459 0.3852459 0.3852459), wk = 0.0036765
k( 172) = ( 0.3934426 0.3934426 0.3934426), wk = 0.0036765
k( 173) = ( 0.4016393 0.4016393 0.4016393), wk = 0.0036765
k( 174) = ( 0.4098361 0.4098361 0.4098361), wk = 0.0036765
k( 175) = ( 0.4180328 0.4180328 0.4180328), wk = 0.0036765
k( 176) = ( 0.4262295 0.4262295 0.4262295), wk = 0.0036765
k( 177) = ( 0.4344262 0.4344262 0.4344262), wk = 0.0036765
k( 178) = ( 0.4426230 0.4426230 0.4426230), wk = 0.0036765
k( 179) = ( 0.4508197 0.4508197 0.4508197), wk = 0.0036765
k( 180) = ( 0.4590164 0.4590164 0.4590164), wk = 0.0036765
k( 181) = ( 0.4672131 0.4672131 0.4672131), wk = 0.0036765
k( 182) = ( 0.4754098 0.4754098 0.4754098), wk = 0.0036765
k( 183) = ( 0.4836066 0.4836066 0.4836066), wk = 0.0036765
k( 184) = ( 0.4918033 0.4918033 0.4918033), wk = 0.0036765
k( 185) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036765
k( 186) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036765
k( 187) = ( 0.4900000 0.5000000 0.4900000), wk = 0.0036765
k( 188) = ( 0.4800000 0.5000000 0.4800000), wk = 0.0036765
k( 189) = ( 0.4700000 0.5000000 0.4700000), wk = 0.0036765
k( 190) = ( 0.4600000 0.5000000 0.4600000), wk = 0.0036765
k( 191) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0036765
k( 192) = ( 0.4400000 0.5000000 0.4400000), wk = 0.0036765
k( 193) = ( 0.4300000 0.5000000 0.4300000), wk = 0.0036765
k( 194) = ( 0.4200000 0.5000000 0.4200000), wk = 0.0036765
k( 195) = ( 0.4100000 0.5000000 0.4100000), wk = 0.0036765
k( 196) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0036765
k( 197) = ( 0.3900000 0.5000000 0.3900000), wk = 0.0036765
k( 198) = ( 0.3800000 0.5000000 0.3800000), wk = 0.0036765
k( 199) = ( 0.3700000 0.5000000 0.3700000), wk = 0.0036765
k( 200) = ( 0.3600000 0.5000000 0.3600000), wk = 0.0036765
k( 201) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0036765
k( 202) = ( 0.3400000 0.5000000 0.3400000), wk = 0.0036765
k( 203) = ( 0.3300000 0.5000000 0.3300000), wk = 0.0036765
k( 204) = ( 0.3200000 0.5000000 0.3200000), wk = 0.0036765
k( 205) = ( 0.3100000 0.5000000 0.3100000), wk = 0.0036765
k( 206) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0036765
k( 207) = ( 0.2900000 0.5000000 0.2900000), wk = 0.0036765
k( 208) = ( 0.2800000 0.5000000 0.2800000), wk = 0.0036765
k( 209) = ( 0.2700000 0.5000000 0.2700000), wk = 0.0036765
k( 210) = ( 0.2600000 0.5000000 0.2600000), wk = 0.0036765
k( 211) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0036765
k( 212) = ( 0.2400000 0.5000000 0.2400000), wk = 0.0036765
k( 213) = ( 0.2300000 0.5000000 0.2300000), wk = 0.0036765
k( 214) = ( 0.2200000 0.5000000 0.2200000), wk = 0.0036765
k( 215) = ( 0.2100000 0.5000000 0.2100000), wk = 0.0036765
k( 216) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0036765
k( 217) = ( 0.1900000 0.5000000 0.1900000), wk = 0.0036765
k( 218) = ( 0.1800000 0.5000000 0.1800000), wk = 0.0036765
k( 219) = ( 0.1700000 0.5000000 0.1700000), wk = 0.0036765
k( 220) = ( 0.1600000 0.5000000 0.1600000), wk = 0.0036765
k( 221) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0036765
k( 222) = ( 0.1400000 0.5000000 0.1400000), wk = 0.0036765
k( 223) = ( 0.1300000 0.5000000 0.1300000), wk = 0.0036765
k( 224) = ( 0.1200000 0.5000000 0.1200000), wk = 0.0036765
k( 225) = ( 0.1100000 0.5000000 0.1100000), wk = 0.0036765
k( 226) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0036765
k( 227) = ( 0.0900000 0.5000000 0.0900000), wk = 0.0036765
k( 228) = ( 0.0800000 0.5000000 0.0800000), wk = 0.0036765
k( 229) = ( 0.0700000 0.5000000 0.0700000), wk = 0.0036765
k( 230) = ( 0.0600000 0.5000000 0.0600000), wk = 0.0036765
k( 231) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0036765
k( 232) = ( 0.0400000 0.5000000 0.0400000), wk = 0.0036765
k( 233) = ( 0.0300000 0.5000000 0.0300000), wk = 0.0036765
k( 234) = ( 0.0200000 0.5000000 0.0200000), wk = 0.0036765
k( 235) = ( 0.0100000 0.5000000 0.0100000), wk = 0.0036765
k( 236) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036765
k( 237) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0036765
k( 238) = ( 0.5000000 0.5000000 0.0142857), wk = 0.0036765
k( 239) = ( 0.5000000 0.5000000 0.0285714), wk = 0.0036765
k( 240) = ( 0.5000000 0.5000000 0.0428571), wk = 0.0036765
k( 241) = ( 0.5000000 0.5000000 0.0571429), wk = 0.0036765
k( 242) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0036765
k( 243) = ( 0.5000000 0.5000000 0.0857143), wk = 0.0036765
k( 244) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0036765
k( 245) = ( 0.5000000 0.5000000 0.1142857), wk = 0.0036765
k( 246) = ( 0.5000000 0.5000000 0.1285714), wk = 0.0036765
k( 247) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0036765
k( 248) = ( 0.5000000 0.5000000 0.1571429), wk = 0.0036765
k( 249) = ( 0.5000000 0.5000000 0.1714286), wk = 0.0036765
k( 250) = ( 0.5000000 0.5000000 0.1857143), wk = 0.0036765
k( 251) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0036765
k( 252) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0036765
k( 253) = ( 0.5000000 0.5000000 0.2285714), wk = 0.0036765
k( 254) = ( 0.5000000 0.5000000 0.2428571), wk = 0.0036765
k( 255) = ( 0.5000000 0.5000000 0.2571429), wk = 0.0036765
k( 256) = ( 0.5000000 0.5000000 0.2714286), wk = 0.0036765
k( 257) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0036765
k( 258) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0036765
k( 259) = ( 0.5000000 0.5000000 0.3142857), wk = 0.0036765
k( 260) = ( 0.5000000 0.5000000 0.3285714), wk = 0.0036765
k( 261) = ( 0.5000000 0.5000000 0.3428571), wk = 0.0036765
k( 262) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0036765
k( 263) = ( 0.5000000 0.5000000 0.3714286), wk = 0.0036765
k( 264) = ( 0.5000000 0.5000000 0.3857143), wk = 0.0036765
k( 265) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0036765
k( 266) = ( 0.5000000 0.5000000 0.4142857), wk = 0.0036765
k( 267) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0036765
k( 268) = ( 0.5000000 0.5000000 0.4428571), wk = 0.0036765
k( 269) = ( 0.5000000 0.5000000 0.4571429), wk = 0.0036765
k( 270) = ( 0.5000000 0.5000000 0.4714286), wk = 0.0036765
k( 271) = ( 0.5000000 0.5000000 0.4857143), wk = 0.0036765
k( 272) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036765
Dense grid: 60269 G-vectors FFT dimensions: ( 50, 50, 50)
Smooth grid: 45553 G-vectors FFT dimensions: ( 45, 45, 45)
Largest allocated arrays est. size (Mb) dimensions
Kohn-Sham Wavefunctions 0.24 Mb ( 328, 48)
NL pseudopotentials 0.23 Mb ( 164, 90)
Each V/rho on FFT grid 0.08 Mb ( 5000)
Each G-vector array 0.01 Mb ( 1676)
G-vector shells 0.00 Mb ( 365)
Largest temporary arrays est. size (Mb) dimensions
Auxiliary wavefunctions 0.96 Mb ( 328, 192)
Each subspace H/S matrix 0.04 Mb ( 48, 48)
Each <psi_i|beta_j> matrix 0.13 Mb ( 90, 2, 48)
Check: negative/imaginary core charge= -0.000002 0.000000
The potential is recalculated from file :
./Na3ClO.save/charge-density.dat
Starting wfc are 46 randomized atomic wfcs + 2 random wfc
Band Structure Calculation
Davidson diagonalization with overlap
Computing kpt #: 1
total cpu time spent up to now is 3.4 secs
Computing kpt #: 2
total cpu time spent up to now is 4.1 secs
Computing kpt #: 3
total cpu time spent up to now is 4.6 secs
Computing kpt #: 4
total cpu time spent up to now is 5.1 secs
Computing kpt #: 5
total cpu time spent up to now is 5.6 secs
Computing kpt #: 6
total cpu time spent up to now is 6.1 secs
Computing kpt #: 7
total cpu time spent up to now is 6.6 secs
Computing kpt #: 8
total cpu time spent up to now is 7.1 secs
Computing kpt #: 9
total cpu time spent up to now is 7.5 secs
Computing kpt #: 10
total cpu time spent up to now is 7.9 secs
Computing kpt #: 11
total cpu time spent up to now is 8.3 secs
Computing kpt #: 12
total cpu time spent up to now is 8.7 secs
Computing kpt #: 13
total cpu time spent up to now is 9.2 secs
Computing kpt #: 14
total cpu time spent up to now is 9.6 secs
Computing kpt #: 15
total cpu time spent up to now is 10.0 secs
Computing kpt #: 16
total cpu time spent up to now is 10.4 secs
Computing kpt #: 17
total cpu time spent up to now is 10.8 secs
Computing kpt #: 18
total cpu time spent up to now is 11.2 secs
Computing kpt #: 19
total cpu time spent up to now is 11.5 secs
Computing kpt #: 20
total cpu time spent up to now is 11.9 secs
Computing kpt #: 21
total cpu time spent up to now is 12.3 secs
Computing kpt #: 22
total cpu time spent up to now is 12.7 secs
Computing kpt #: 23
total cpu time spent up to now is 13.0 secs
Computing kpt #: 24
total cpu time spent up to now is 13.4 secs
Computing kpt #: 25
total cpu time spent up to now is 13.8 secs
Computing kpt #: 26
total cpu time spent up to now is 14.1 secs
Computing kpt #: 27
total cpu time spent up to now is 14.5 secs
Computing kpt #: 28
total cpu time spent up to now is 14.8 secs
Computing kpt #: 29
total cpu time spent up to now is 15.2 secs
Computing kpt #: 30
total cpu time spent up to now is 15.6 secs
Computing kpt #: 31
total cpu time spent up to now is 15.9 secs
Computing kpt #: 32
total cpu time spent up to now is 16.3 secs
Computing kpt #: 33
total cpu time spent up to now is 16.6 secs
Computing kpt #: 34
total cpu time spent up to now is 17.0 secs
Computing kpt #: 35
total cpu time spent up to now is 17.5 secs
Computing kpt #: 36
total cpu time spent up to now is 18.0 secs
Computing kpt #: 37
total cpu time spent up to now is 18.4 secs
Computing kpt #: 38
total cpu time spent up to now is 18.8 secs
Computing kpt #: 39
total cpu time spent up to now is 19.2 secs
Computing kpt #: 40
total cpu time spent up to now is 19.6 secs
Computing kpt #: 41
total cpu time spent up to now is 20.1 secs
Computing kpt #: 42
total cpu time spent up to now is 20.5 secs
Computing kpt #: 43
total cpu time spent up to now is 20.8 secs
Computing kpt #: 44
total cpu time spent up to now is 21.2 secs
Computing kpt #: 45
total cpu time spent up to now is 21.6 secs
Computing kpt #: 46
total cpu time spent up to now is 22.0 secs
Computing kpt #: 47
total cpu time spent up to now is 22.3 secs
Computing kpt #: 48
total cpu time spent up to now is 22.6 secs
Computing kpt #: 49
total cpu time spent up to now is 23.0 secs
Computing kpt #: 50
total cpu time spent up to now is 23.3 secs
Computing kpt #: 51
total cpu time spent up to now is 23.7 secs
Computing kpt #: 52
total cpu time spent up to now is 24.0 secs
Computing kpt #: 53
total cpu time spent up to now is 24.3 secs
Computing kpt #: 54
total cpu time spent up to now is 24.7 secs
Computing kpt #: 55
total cpu time spent up to now is 25.0 secs
Computing kpt #: 56
total cpu time spent up to now is 25.3 secs
Computing kpt #: 57
total cpu time spent up to now is 25.6 secs
Computing kpt #: 58
total cpu time spent up to now is 26.0 secs
Computing kpt #: 59
total cpu time spent up to now is 26.3 secs
Computing kpt #: 60
total cpu time spent up to now is 26.6 secs
Computing kpt #: 61
total cpu time spent up to now is 27.0 secs
Computing kpt #: 62
total cpu time spent up to now is 27.3 secs
Computing kpt #: 63
total cpu time spent up to now is 27.6 secs
Computing kpt #: 64
total cpu time spent up to now is 27.9 secs
Computing kpt #: 65
total cpu time spent up to now is 28.3 secs
Computing kpt #: 66
total cpu time spent up to now is 28.6 secs
Computing kpt #: 67
total cpu time spent up to now is 28.9 secs
Computing kpt #: 68
total cpu time spent up to now is 29.3 secs
Computing kpt #: 69
total cpu time spent up to now is 29.6 secs
Computing kpt #: 70
total cpu time spent up to now is 30.0 secs
Computing kpt #: 71
total cpu time spent up to now is 30.3 secs
Computing kpt #: 72
total cpu time spent up to now is 30.6 secs
Computing kpt #: 73
total cpu time spent up to now is 31.0 secs
Computing kpt #: 74
total cpu time spent up to now is 31.3 secs
Computing kpt #: 75
total cpu time spent up to now is 31.7 secs
Computing kpt #: 76
total cpu time spent up to now is 32.0 secs
Computing kpt #: 77
total cpu time spent up to now is 32.3 secs
Computing kpt #: 78
total cpu time spent up to now is 32.6 secs
Computing kpt #: 79
total cpu time spent up to now is 32.9 secs
Computing kpt #: 80
total cpu time spent up to now is 33.3 secs
Computing kpt #: 81
total cpu time spent up to now is 33.6 secs
Computing kpt #: 82
total cpu time spent up to now is 33.9 secs
Computing kpt #: 83
total cpu time spent up to now is 34.3 secs
Computing kpt #: 84
total cpu time spent up to now is 34.6 secs
Computing kpt #: 85
total cpu time spent up to now is 34.9 secs
Computing kpt #: 86
total cpu time spent up to now is 35.3 secs
Computing kpt #: 87
total cpu time spent up to now is 35.7 secs
Computing kpt #: 88
total cpu time spent up to now is 36.0 secs
Computing kpt #: 89
total cpu time spent up to now is 36.3 secs
Computing kpt #: 90
total cpu time spent up to now is 36.7 secs
Computing kpt #: 91
total cpu time spent up to now is 37.0 secs
Computing kpt #: 92
total cpu time spent up to now is 37.3 secs
Computing kpt #: 93
total cpu time spent up to now is 37.7 secs
Computing kpt #: 94
total cpu time spent up to now is 38.0 secs
Computing kpt #: 95
total cpu time spent up to now is 38.4 secs
Computing kpt #: 96
total cpu time spent up to now is 38.7 secs
Computing kpt #: 97
total cpu time spent up to now is 39.1 secs
Computing kpt #: 98
total cpu time spent up to now is 39.4 secs
Computing kpt #: 99
total cpu time spent up to now is 39.8 secs
Computing kpt #: 100
total cpu time spent up to now is 40.1 secs
Computing kpt #: 101
total cpu time spent up to now is 40.5 secs
Computing kpt #: 102
total cpu time spent up to now is 40.9 secs
Computing kpt #: 103
total cpu time spent up to now is 41.2 secs
Computing kpt #: 104
total cpu time spent up to now is 41.6 secs
Computing kpt #: 105
total cpu time spent up to now is 42.0 secs
Computing kpt #: 106
total cpu time spent up to now is 42.5 secs
Computing kpt #: 107
total cpu time spent up to now is 42.9 secs
Computing kpt #: 108
total cpu time spent up to now is 43.4 secs
Computing kpt #: 109
total cpu time spent up to now is 43.7 secs
Computing kpt #: 110
total cpu time spent up to now is 44.1 secs
Computing kpt #: 111
total cpu time spent up to now is 44.5 secs
Computing kpt #: 112
total cpu time spent up to now is 45.0 secs
Computing kpt #: 113
total cpu time spent up to now is 45.4 secs
Computing kpt #: 114
total cpu time spent up to now is 45.9 secs
Computing kpt #: 115
total cpu time spent up to now is 46.3 secs
Computing kpt #: 116
total cpu time spent up to now is 46.8 secs
Computing kpt #: 117
total cpu time spent up to now is 47.3 secs
Computing kpt #: 118
total cpu time spent up to now is 47.8 secs
Computing kpt #: 119
total cpu time spent up to now is 48.5 secs
Computing kpt #: 120
total cpu time spent up to now is 49.3 secs
Computing kpt #: 121
total cpu time spent up to now is 50.0 secs
Computing kpt #: 122
total cpu time spent up to now is 50.7 secs
Computing kpt #: 123
total cpu time spent up to now is 51.2 secs
Computing kpt #: 124
total cpu time spent up to now is 51.6 secs
Computing kpt #: 125
total cpu time spent up to now is 52.3 secs
Computing kpt #: 126
total cpu time spent up to now is 53.0 secs
Computing kpt #: 127
total cpu time spent up to now is 53.6 secs
Computing kpt #: 128
total cpu time spent up to now is 54.1 secs
Computing kpt #: 129
total cpu time spent up to now is 54.7 secs
Computing kpt #: 130
total cpu time spent up to now is 55.2 secs
Computing kpt #: 131
total cpu time spent up to now is 55.9 secs
Computing kpt #: 132
total cpu time spent up to now is 56.6 secs
Computing kpt #: 133
total cpu time spent up to now is 57.3 secs
Computing kpt #: 134
total cpu time spent up to now is 57.7 secs
Computing kpt #: 135
total cpu time spent up to now is 58.0 secs
Computing kpt #: 136
total cpu time spent up to now is 58.4 secs
Computing kpt #: 137
total cpu time spent up to now is 58.8 secs
Computing kpt #: 138
total cpu time spent up to now is 59.1 secs
Computing kpt #: 139
total cpu time spent up to now is 59.5 secs
Computing kpt #: 140
total cpu time spent up to now is 59.9 secs
Computing kpt #: 141
total cpu time spent up to now is 60.2 secs
Computing kpt #: 142
total cpu time spent up to now is 60.6 secs
Computing kpt #: 143
total cpu time spent up to now is 60.9 secs
Computing kpt #: 144
total cpu time spent up to now is 61.3 secs
Computing kpt #: 145
total cpu time spent up to now is 61.6 secs
Computing kpt #: 146
total cpu time spent up to now is 62.0 secs
Computing kpt #: 147
total cpu time spent up to now is 62.3 secs
Computing kpt #: 148
total cpu time spent up to now is 62.6 secs
Computing kpt #: 149
total cpu time spent up to now is 63.0 secs
Computing kpt #: 150
total cpu time spent up to now is 63.3 secs
Computing kpt #: 151
total cpu time spent up to now is 63.6 secs
Computing kpt #: 152
total cpu time spent up to now is 63.9 secs
Computing kpt #: 153
total cpu time spent up to now is 64.3 secs
Computing kpt #: 154
total cpu time spent up to now is 64.6 secs
Computing kpt #: 155
total cpu time spent up to now is 64.9 secs
Computing kpt #: 156
total cpu time spent up to now is 65.3 secs
Computing kpt #: 157
total cpu time spent up to now is 65.6 secs
Computing kpt #: 158
total cpu time spent up to now is 65.9 secs
Computing kpt #: 159
total cpu time spent up to now is 66.3 secs
Computing kpt #: 160
total cpu time spent up to now is 66.6 secs
Computing kpt #: 161
total cpu time spent up to now is 66.9 secs
Computing kpt #: 162
total cpu time spent up to now is 67.3 secs
Computing kpt #: 163
total cpu time spent up to now is 67.6 secs
Computing kpt #: 164
total cpu time spent up to now is 67.9 secs
Computing kpt #: 165
total cpu time spent up to now is 68.3 secs
Computing kpt #: 166
total cpu time spent up to now is 68.6 secs
Computing kpt #: 167
total cpu time spent up to now is 68.9 secs
Computing kpt #: 168
total cpu time spent up to now is 69.3 secs
Computing kpt #: 169
total cpu time spent up to now is 69.6 secs
Computing kpt #: 170
total cpu time spent up to now is 70.0 secs
Computing kpt #: 171
total cpu time spent up to now is 70.3 secs
Computing kpt #: 172
total cpu time spent up to now is 70.7 secs
Computing kpt #: 173
total cpu time spent up to now is 71.0 secs
Computing kpt #: 174
total cpu time spent up to now is 71.5 secs
Computing kpt #: 175
total cpu time spent up to now is 71.9 secs
Computing kpt #: 176
total cpu time spent up to now is 72.3 secs
Computing kpt #: 177
total cpu time spent up to now is 72.7 secs
Computing kpt #: 178
total cpu time spent up to now is 73.1 secs
Computing kpt #: 179
total cpu time spent up to now is 73.5 secs
Computing kpt #: 180
total cpu time spent up to now is 73.9 secs
Computing kpt #: 181
total cpu time spent up to now is 74.3 secs
Computing kpt #: 182
total cpu time spent up to now is 74.7 secs
Computing kpt #: 183
total cpu time spent up to now is 75.1 secs
Computing kpt #: 184
total cpu time spent up to now is 75.5 secs
Computing kpt #: 185
total cpu time spent up to now is 75.8 secs
Computing kpt #: 186
total cpu time spent up to now is 76.3 secs
Computing kpt #: 187
total cpu time spent up to now is 76.7 secs
Computing kpt #: 188
total cpu time spent up to now is 77.1 secs
Computing kpt #: 189
total cpu time spent up to now is 77.5 secs
Computing kpt #: 190
total cpu time spent up to now is 77.9 secs
Computing kpt #: 191
total cpu time spent up to now is 78.3 secs
Computing kpt #: 192
total cpu time spent up to now is 78.6 secs
Computing kpt #: 193
total cpu time spent up to now is 79.0 secs
Computing kpt #: 194
total cpu time spent up to now is 79.5 secs
Computing kpt #: 195
total cpu time spent up to now is 79.9 secs
Computing kpt #: 196
total cpu time spent up to now is 80.3 secs
Computing kpt #: 197
total cpu time spent up to now is 80.8 secs
Computing kpt #: 198
total cpu time spent up to now is 81.2 secs
Computing kpt #: 199
total cpu time spent up to now is 81.6 secs
Computing kpt #: 200
total cpu time spent up to now is 82.1 secs
Computing kpt #: 201
total cpu time spent up to now is 82.5 secs
Computing kpt #: 202
total cpu time spent up to now is 82.9 secs
Computing kpt #: 203
total cpu time spent up to now is 83.4 secs
Computing kpt #: 204
total cpu time spent up to now is 83.8 secs
Computing kpt #: 205
total cpu time spent up to now is 84.1 secs
Computing kpt #: 206
total cpu time spent up to now is 84.5 secs
Computing kpt #: 207
total cpu time spent up to now is 84.8 secs
Computing kpt #: 208
total cpu time spent up to now is 85.1 secs
Computing kpt #: 209
total cpu time spent up to now is 85.5 secs
Computing kpt #: 210
total cpu time spent up to now is 85.8 secs
Computing kpt #: 211
total cpu time spent up to now is 86.1 secs
Computing kpt #: 212
total cpu time spent up to now is 86.4 secs
Computing kpt #: 213
total cpu time spent up to now is 86.7 secs
Computing kpt #: 214
total cpu time spent up to now is 87.1 secs
Computing kpt #: 215
total cpu time spent up to now is 87.4 secs
Computing kpt #: 216
total cpu time spent up to now is 87.7 secs
Computing kpt #: 217
total cpu time spent up to now is 88.0 secs
Computing kpt #: 218
total cpu time spent up to now is 88.4 secs
Computing kpt #: 219
total cpu time spent up to now is 88.7 secs
Computing kpt #: 220
total cpu time spent up to now is 89.0 secs
Computing kpt #: 221
total cpu time spent up to now is 89.3 secs
Computing kpt #: 222
total cpu time spent up to now is 89.7 secs
Computing kpt #: 223
total cpu time spent up to now is 90.0 secs
Computing kpt #: 224
total cpu time spent up to now is 90.3 secs
Computing kpt #: 225
total cpu time spent up to now is 90.7 secs
Computing kpt #: 226
total cpu time spent up to now is 91.0 secs
Computing kpt #: 227
total cpu time spent up to now is 91.4 secs
Computing kpt #: 228
total cpu time spent up to now is 91.7 secs
Computing kpt #: 229
total cpu time spent up to now is 92.0 secs
Computing kpt #: 230
total cpu time spent up to now is 92.4 secs
Computing kpt #: 231
total cpu time spent up to now is 92.8 secs
Computing kpt #: 232
total cpu time spent up to now is 93.1 secs
Computing kpt #: 233
total cpu time spent up to now is 93.5 secs
Computing kpt #: 234
total cpu time spent up to now is 93.9 secs
Computing kpt #: 235
total cpu time spent up to now is 94.3 secs
Computing kpt #: 236
total cpu time spent up to now is 94.8 secs
Computing kpt #: 237
total cpu time spent up to now is 95.1 secs
Computing kpt #: 238
total cpu time spent up to now is 95.5 secs
Computing kpt #: 239
total cpu time spent up to now is 95.8 secs
Computing kpt #: 240
total cpu time spent up to now is 96.1 secs
Computing kpt #: 241
total cpu time spent up to now is 96.4 secs
Computing kpt #: 242
total cpu time spent up to now is 96.8 secs
Computing kpt #: 243
total cpu time spent up to now is 97.1 secs
Computing kpt #: 244
total cpu time spent up to now is 97.5 secs
Computing kpt #: 245
total cpu time spent up to now is 97.8 secs
Computing kpt #: 246
total cpu time spent up to now is 98.1 secs
Computing kpt #: 247
total cpu time spent up to now is 98.5 secs
Computing kpt #: 248
total cpu time spent up to now is 98.8 secs
Computing kpt #: 249
total cpu time spent up to now is 99.2 secs
Computing kpt #: 250
total cpu time spent up to now is 99.5 secs
Computing kpt #: 251
total cpu time spent up to now is 99.8 secs
Computing kpt #: 252
total cpu time spent up to now is 100.1 secs
Computing kpt #: 253
total cpu time spent up to now is 100.5 secs
Computing kpt #: 254
total cpu time spent up to now is 100.8 secs
Computing kpt #: 255
total cpu time spent up to now is 101.1 secs
Computing kpt #: 256
total cpu time spent up to now is 101.5 secs
Computing kpt #: 257
total cpu time spent up to now is 101.8 secs
Computing kpt #: 258
total cpu time spent up to now is 102.1 secs
Computing kpt #: 259
total cpu time spent up to now is 102.5 secs
Computing kpt #: 260
total cpu time spent up to now is 102.8 secs
Computing kpt #: 261
total cpu time spent up to now is 103.1 secs
Computing kpt #: 262
total cpu time spent up to now is 103.5 secs
Computing kpt #: 263
total cpu time spent up to now is 103.8 secs
Computing kpt #: 264
total cpu time spent up to now is 104.1 secs
Computing kpt #: 265
total cpu time spent up to now is 104.4 secs
Computing kpt #: 266
total cpu time spent up to now is 104.8 secs
Computing kpt #: 267
total cpu time spent up to now is 105.1 secs
Computing kpt #: 268
total cpu time spent up to now is 105.5 secs
Computing kpt #: 269
total cpu time spent up to now is 105.9 secs
Computing kpt #: 270
total cpu time spent up to now is 106.3 secs
Computing kpt #: 271
total cpu time spent up to now is 106.8 secs
Computing kpt #: 272
total cpu time spent up to now is 107.1 secs
ethr = 2.50E-08, avg # of iterations = 16.7
total cpu time spent up to now is 107.1 secs
End of band structure calculation
k = 0.0000 0.0000 0.0000 ( 5695 PWs) bands (ev):
-47.2252 -47.2252 -47.2076 -47.2076 -47.2076 -47.2076 -19.3280 -19.3280
-19.3280 -19.3280 -19.2982 -19.2982 -19.1772 -19.1772 -19.1772 -19.1772
-19.1547 -19.1547 -19.0283 -19.0283 -18.9744 -18.9744 -18.9744 -18.9744
-11.7647 -11.7647 -11.4061 -11.4061 0.0143 0.0143 0.1238 0.1238
0.1238 0.1238 2.9597 2.9597 2.9900 2.9900 2.9900 2.9900
5.1082 5.1082 8.5223 8.5223 8.5223 8.5223 12.5137 12.5140
k = 0.0000 0.0143-0.0000 ( 5695 PWs) bands (ev):
-47.2252 -47.2252 -47.2076 -47.2076 -47.2076 -47.2076 -19.3280 -19.3280
-19.3280 -19.3280 -19.2982 -19.2982 -19.1772 -19.1772 -19.1771 -19.1771
-19.1547 -19.1547 -19.0283 -19.0283 -18.9745 -18.9745 -18.9744 -18.9744
-11.7645 -11.7645 -11.4060 -11.4060 0.0139 0.0139 0.1229 0.1229
0.1240 0.1240 2.9587 2.9587 2.9884 2.9884 2.9898 2.9898
5.1125 5.1125 8.5234 8.5234 8.5245 8.5245 12.5082 12.5086
k = 0.0000 0.0286-0.0000 ( 5687 PWs) bands (ev):
-47.2252 -47.2252 -47.2076 -47.2076 -47.2076 -47.2076 -19.3279 -19.3279
-19.3279 -19.3279 -19.2982 -19.2982 -19.1772 -19.1772 -19.1770 -19.1770
-19.1547 -19.1547 -19.0283 -19.0283 -18.9747 -18.9747 -18.9745 -18.9745
-11.7637 -11.7637 -11.4059 -11.4059 0.0127 0.0127 0.1203 0.1203
0.1245 0.1245 2.9557 2.9557 2.9842 2.9842 2.9891 2.9891
5.1252 5.1252 8.5266 8.5266 8.5311 8.5311 12.4919 12.4923
k = 0.0000 0.0429-0.0000 ( 5679 PWs) bands (ev):
-47.2252 -47.2252 -47.2076 -47.2076 -47.2076 -47.2076 -19.3278 -19.3278
-19.3277 -19.3277 -19.2982 -19.2982 -19.1771 -19.1771 -19.1769 -19.1769
-19.1547 -19.1547 -19.0284 -19.0284 -18.9751 -18.9751 -18.9745 -18.9745
-11.7625 -11.7625 -11.4056 -11.4056 0.0106 0.0106 0.1162 0.1162
0.1252 0.1252 2.9493 2.9493 2.9786 2.9786 2.9880 2.9880
5.1462 5.1462 8.5320 8.5320 8.5419 8.5419 12.4664 12.4667
k = 0.0000 0.0571-0.0000 ( 5675 PWs) bands (ev):
-47.2251 -47.2251 -47.2077 -47.2077 -47.2075 -47.2075 -19.3277 -19.3277
-19.3276 -19.3276 -19.2983 -19.2983 -19.1771 -19.1771 -19.1768 -19.1768
-19.1547 -19.1547 -19.0284 -19.0284 -18.9756 -18.9756 -18.9746 -18.9746
-11.7608 -11.7608 -11.4052 -11.4052 0.0073 0.0073 0.1110 0.1110
0.1263 0.1263 2.9381 2.9381 2.9734 2.9734 2.9865 2.9865
5.1752 5.1752 8.5394 8.5394 8.5569 8.5569 12.4330 12.4335
k = 0.0000 0.0714-0.0000 ( 5666 PWs) bands (ev):
-47.2250 -47.2250 -47.2077 -47.2077 -47.2075 -47.2075 -19.3277 -19.3277
-19.3273 -19.3273 -19.2983 -19.2983 -19.1771 -19.1771 -19.1767 -19.1767
-19.1548 -19.1548 -19.0285 -19.0285 -18.9763 -18.9763 -18.9747 -18.9747
-11.7587 -11.7587 -11.4047 -11.4047 0.0023 0.0023 0.1052 0.1052
0.1277 0.1277 2.9219 2.9219 2.9691 2.9691 2.9845 2.9845
5.2117 5.2117 8.5489 8.5489 8.5757 8.5757 12.3932 12.3940
k = 0.0000 0.0857-0.0000 ( 5650 PWs) bands (ev):
-47.2249 -47.2249 -47.2078 -47.2078 -47.2075 -47.2075 -19.3276 -19.3276
-19.3270 -19.3270 -19.2983 -19.2983 -19.1770 -19.1770 -19.1766 -19.1766
-19.1548 -19.1548 -19.0286 -19.0286 -18.9770 -18.9770 -18.9748 -18.9748
-11.7561 -11.7561 -11.4042 -11.4042 -0.0049 -0.0049 0.0993 0.0993
0.1293 0.1293 2.9015 2.9015 2.9654 2.9654 2.9822 2.9822
5.2553 5.2553 8.5605 8.5605 8.5981 8.5981 12.3486 12.3492
k = 0.0000 0.1000-0.0000 ( 5650 PWs) bands (ev):
-47.2248 -47.2248 -47.2079 -47.2079 -47.2075 -47.2075 -19.3275 -19.3275
-19.3267 -19.3267 -19.2983 -19.2983 -19.1770 -19.1770 -19.1764 -19.1764
-19.1549 -19.1549 -19.0287 -19.0287 -18.9779 -18.9779 -18.9750 -18.9750
-11.7530 -11.7530 -11.4035 -11.4035 -0.0147 -0.0147 0.0941 0.0941
0.1313 0.1313 2.8777 2.8777 2.9618 2.9618 2.9794 2.9794
5.3055 5.3055 8.5741 8.5741 8.6236 8.6236 12.3008 12.3013
k = 0.0000 0.1143-0.0000 ( 5650 PWs) bands (ev):
-47.2247 -47.2247 -47.2080 -47.2080 -47.2075 -47.2075 -19.3274 -19.3274
-19.3265 -19.3265 -19.2984 -19.2984 -19.1770 -19.1770 -19.1762 -19.1762
-19.1550 -19.1550 -19.0289 -19.0289 -18.9790 -18.9790 -18.9752 -18.9752
-11.7496 -11.7496 -11.4028 -11.4028 -0.0273 -0.0273 0.0900 0.0900
0.1334 0.1334 2.8512 2.8512 2.9583 2.9583 2.9763 2.9763
5.3618 5.3618 8.5896 8.5896 8.6519 8.6519 12.2497 12.2503
k = 0.0000 0.1286-0.0000 ( 5638 PWs) bands (ev):
-47.2246 -47.2246 -47.2081 -47.2081 -47.2075 -47.2075 -19.3273 -19.3273
-19.3261 -19.3261 -19.2984 -19.2984 -19.1770 -19.1770 -19.1760 -19.1760
-19.1552 -19.1552 -19.0290 -19.0290 -18.9801 -18.9801 -18.9754 -18.9754
-11.7458 -11.7458 -11.4019 -11.4019 -0.0428 -0.0428 0.0871 0.0871
0.1359 0.1359 2.8225 2.8225 2.9546 2.9546 2.9728 2.9728
5.4236 5.4236 8.6069 8.6069 8.6824 8.6824 12.1975 12.1984
k = 0.0000 0.1429-0.0000 ( 5638 PWs) bands (ev):
-47.2244 -47.2244 -47.2083 -47.2083 -47.2075 -47.2075 -19.3272 -19.3272
-19.3257 -19.3257 -19.2984 -19.2984 -19.1770 -19.1770 -19.1757 -19.1757
-19.1554 -19.1554 -19.0292 -19.0292 -18.9813 -18.9813 -18.9756 -18.9756
-11.7416 -11.7416 -11.4011 -11.4011 -0.0610 -0.0610 0.0855 0.0855
0.1385 0.1385 2.7922 2.7922 2.9507 2.9507 2.9690 2.9690
5.4905 5.4905 8.6261 8.6261 8.7144 8.7144 12.1443 12.1446
k = 0.0000 0.1571-0.0000 ( 5638 PWs) bands (ev):
-47.2243 -47.2243 -47.2084 -47.2084 -47.2075 -47.2075 -19.3271 -19.3271
-19.3253 -19.3253 -19.2985 -19.2985 -19.1770 -19.1770 -19.1755 -19.1755
-19.1556 -19.1556 -19.0294 -19.0294 -18.9827 -18.9827 -18.9758 -18.9758
-11.7371 -11.7371 -11.4002 -11.4002 -0.0814 -0.0814 0.0849 0.0849
0.1414 0.1414 2.7606 2.7606 2.9465 2.9465 2.9649 2.9649
5.5619 5.5619 8.6469 8.6469 8.7474 8.7474 12.0904 12.0912
k = 0.0000 0.1714-0.0000 ( 5654 PWs) bands (ev):
-47.2241 -47.2241 -47.2086 -47.2086 -47.2075 -47.2075 -19.3271 -19.3271
-19.3249 -19.3249 -19.2986 -19.2986 -19.1771 -19.1771 -19.1753 -19.1753
-19.1558 -19.1558 -19.0297 -19.0297 -18.9842 -18.9842 -18.9761 -18.9761
-11.7323 -11.7323 -11.3992 -11.3992 -0.1038 -0.1038 0.0852 0.0852
0.1444 0.1444 2.7280 2.7280 2.9422 2.9422 2.9606 2.9606
5.6373 5.6373 8.6694 8.6694 8.7805 8.7805 12.0373 12.0377
k = 0.0000 0.1857-0.0000 ( 5662 PWs) bands (ev):
-47.2239 -47.2239 -47.2088 -47.2088 -47.2075 -47.2075 -19.3269 -19.3269
-19.3244 -19.3244 -19.2988 -19.2988 -19.1772 -19.1772 -19.1750 -19.1750
-19.1561 -19.1561 -19.0299 -19.0299 -18.9857 -18.9857 -18.9764 -18.9764
-11.7272 -11.7272 -11.3982 -11.3982 -0.1276 -0.1276 0.0863 0.0863
0.1476 0.1476 2.6950 2.6950 2.9377 2.9377 2.9560 2.9560
5.7164 5.7164 8.6934 8.6934 8.8128 8.8128 11.9843 11.9846
k = 0.0000 0.2000-0.0000 ( 5670 PWs) bands (ev):
-47.2237 -47.2237 -47.2090 -47.2090 -47.2075 -47.2075 -19.3269 -19.3269
-19.3239 -19.3239 -19.2989 -19.2989 -19.1772 -19.1772 -19.1747 -19.1747
-19.1563 -19.1563 -19.0301 -19.0301 -18.9874 -18.9874 -18.9767 -18.9767
-11.7220 -11.7220 -11.3972 -11.3972 -0.1525 -0.1525 0.0878 0.0878
0.1510 0.1510 2.6618 2.6618 2.9330 2.9330 2.9512 2.9512
5.7988 5.7988 8.7187 8.7187 8.8435 8.8435 11.9322 11.9324
k = 0.0000 0.2143-0.0000 ( 5678 PWs) bands (ev):
-47.2235 -47.2235 -47.2092 -47.2092 -47.2076 -47.2076 -19.3268 -19.3268
-19.3234 -19.3234 -19.2991 -19.2991 -19.1772 -19.1772 -19.1744 -19.1744
-19.1566 -19.1566 -19.0304 -19.0304 -18.9890 -18.9890 -18.9770 -18.9770
-11.7165 -11.7165 -11.3962 -11.3962 -0.1781 -0.1781 0.0899 0.0899
0.1544 0.1544 2.6286 2.6286 2.9282 2.9282 2.9462 2.9462
5.8840 5.8840 8.7453 8.7453 8.8716 8.8716 11.8814 11.8817
k = 0.0000 0.2286-0.0000 ( 5670 PWs) bands (ev):
-47.2233 -47.2233 -47.2094 -47.2094 -47.2076 -47.2076 -19.3266 -19.3266
-19.3228 -19.3228 -19.2992 -19.2992 -19.1772 -19.1772 -19.1740 -19.1740
-19.1569 -19.1569 -19.0306 -19.0306 -18.9907 -18.9907 -18.9773 -18.9773
-11.7109 -11.7109 -11.3952 -11.3952 -0.2043 -0.2043 0.0922 0.0922
0.1580 0.1580 2.5957 2.5957 2.9232 2.9232 2.9411 2.9411
5.9716 5.9716 8.7729 8.7729 8.8961 8.8961 11.8320 11.8323
k = 0.0000 0.2429-0.0000 ( 5670 PWs) bands (ev):
-47.2231 -47.2231 -47.2096 -47.2096 -47.2076 -47.2076 -19.3265 -19.3265
-19.3222 -19.3222 -19.2994 -19.2994 -19.1772 -19.1772 -19.1737 -19.1737
-19.1571 -19.1571 -19.0308 -19.0308 -18.9924 -18.9924 -18.9776 -18.9776
-11.7052 -11.7052 -11.3942 -11.3942 -0.2306 -0.2306 0.0948 0.0948
0.1616 0.1616 2.5633 2.5633 2.9183 2.9183 2.9360 2.9360
6.0614 6.0614 8.8015 8.8015 8.9161 8.9161 11.7842 11.7846
k = 0.0000 0.2571-0.0000 ( 5674 PWs) bands (ev):
-47.2228 -47.2228 -47.2099 -47.2099 -47.2075 -47.2075 -19.3263 -19.3263
-19.3216 -19.3216 -19.2996 -19.2996 -19.1773 -19.1773 -19.1732 -19.1732
-19.1575 -19.1575 -19.0309 -19.0309 -18.9942 -18.9942 -18.9779 -18.9779
-11.6994 -11.6994 -11.3932 -11.3932 -0.2569 -0.2569 0.0975 0.0975
0.1652 0.1652 2.5317 2.5317 2.9132 2.9132 2.9308 2.9308
6.1529 6.1529 8.8307 8.8307 8.9307 8.9307 11.7384 11.7387
k = 0.0000 0.2714-0.0000 ( 5674 PWs) bands (ev):
-47.2226 -47.2226 -47.2101 -47.2101 -47.2075 -47.2075 -19.3262 -19.3262
-19.3210 -19.3210 -19.2998 -19.2998 -19.1773 -19.1773 -19.1728 -19.1728
-19.1578 -19.1578 -19.0311 -19.0311 -18.9959 -18.9959 -18.9782 -18.9782
-11.6936 -11.6936 -11.3923 -11.3923 -0.2828 -0.2828 0.1004 0.1004
0.1688 0.1688 2.5009 2.5009 2.9082 2.9082 2.9256 2.9256
6.2459 6.2459 8.8605 8.8605 8.9391 8.9391 11.6947 11.6950
k = 0.0000 0.2857-0.0000 ( 5666 PWs) bands (ev):
-47.2223 -47.2223 -47.2104 -47.2104 -47.2075 -47.2075 -19.3260 -19.3260
-19.3203 -19.3203 -19.3001 -19.3001 -19.1773 -19.1773 -19.1724 -19.1724
-19.1581 -19.1581 -19.0312 -19.0312 -18.9976 -18.9976 -18.9785 -18.9785
-11.6879 -11.6879 -11.3914 -11.3914 -0.3082 -0.3082 0.1033 0.1033
0.1724 0.1724 2.4713 2.4713 2.9032 2.9032 2.9205 2.9205
6.3401 6.3401 8.8906 8.8906 8.9406 8.9406 11.6532 11.6534
k = 0.0000 0.3000-0.0000 ( 5686 PWs) bands (ev):
-47.2221 -47.2221 -47.2106 -47.2106 -47.2075 -47.2075 -19.3259 -19.3259
-19.3197 -19.3197 -19.3004 -19.3004 -19.1774 -19.1774 -19.1720 -19.1720
-19.1584 -19.1584 -19.0314 -19.0314 -18.9994 -18.9994 -18.9789 -18.9789
-11.6822 -11.6822 -11.3906 -11.3906 -0.3329 -0.3329 0.1063 0.1063
0.1760 0.1760 2.4428 2.4428 2.8984 2.8984 2.9154 2.9154
6.4350 6.4350 8.9207 8.9207 8.9349 8.9349 11.6140 11.6141
k = 0.0000 0.3143-0.0000 ( 5674 PWs) bands (ev):
-47.2218 -47.2218 -47.2109 -47.2109 -47.2075 -47.2075 -19.3257 -19.3257
-19.3190 -19.3190 -19.3007 -19.3007 -19.1774 -19.1774 -19.1715 -19.1715
-19.1588 -19.1588 -19.0315 -19.0315 -19.0011 -19.0011 -18.9791 -18.9791
-11.6766 -11.6766 -11.3898 -11.3898 -0.3566 -0.3566 0.1093 0.1093
0.1794 0.1794 2.4158 2.4158 2.8936 2.8936 2.9105 2.9105
6.5304 6.5304 8.9217 8.9217 8.9507 8.9507 11.5771 11.5772
k = 0.0000 0.3286-0.0000 ( 5678 PWs) bands (ev):
-47.2215 -47.2215 -47.2112 -47.2112 -47.2075 -47.2075 -19.3257 -19.3257
-19.3183 -19.3183 -19.3010 -19.3010 -19.1775 -19.1775 -19.1710 -19.1710
-19.1592 -19.1592 -19.0316 -19.0316 -19.0027 -19.0027 -18.9794 -18.9794
-11.6712 -11.6712 -11.3891 -11.3891 -0.3793 -0.3793 0.1121 0.1121
0.1827 0.1827 2.3903 2.3903 2.8890 2.8890 2.9057 2.9057
6.6258 6.6258 8.9011 8.9011 8.9802 8.9802 11.5427 11.5427
k = 0.0000 0.3429-0.0000 ( 5678 PWs) bands (ev):
-47.2213 -47.2213 -47.2114 -47.2114 -47.2075 -47.2075 -19.3255 -19.3255
-19.3175 -19.3175 -19.3013 -19.3013 -19.1775 -19.1775 -19.1705 -19.1705
-19.1596 -19.1596 -19.0317 -19.0317 -19.0043 -19.0043 -18.9797 -18.9797
-11.6661 -11.6661 -11.3885 -11.3885 -0.4007 -0.4007 0.1149 0.1149
0.1859 0.1859 2.3663 2.3663 2.8846 2.8846 2.9012 2.9012
6.7209 6.7209 8.8733 8.8733 9.0089 9.0089 11.5109 11.5109
k = 0.0000 0.3571-0.0000 ( 5678 PWs) bands (ev):
-47.2210 -47.2210 -47.2117 -47.2117 -47.2075 -47.2075 -19.3254 -19.3254
-19.3168 -19.3168 -19.3017 -19.3017 -19.1775 -19.1775 -19.1700 -19.1700
-19.1600 -19.1600 -19.0317 -19.0317 -19.0059 -19.0059 -18.9799 -18.9799
-11.6612 -11.6612 -11.3879 -11.3879 -0.4207 -0.4207 0.1176 0.1176
0.1890 0.1890 2.3441 2.3441 2.8805 2.8805 2.8969 2.8969
6.8152 6.8152 8.8389 8.8389 9.0366 9.0366 11.4816 11.4816
k = 0.0000 0.3714-0.0000 ( 5678 PWs) bands (ev):
-47.2207 -47.2207 -47.2119 -47.2119 -47.2075 -47.2075 -19.3254 -19.3254
-19.3161 -19.3161 -19.3021 -19.3021 -19.1775 -19.1775 -19.1696 -19.1696
-19.1604 -19.1604 -19.0317 -19.0317 -19.0073 -19.0073 -18.9801 -18.9801
-11.6566 -11.6566 -11.3874 -11.3874 -0.4392 -0.4392 0.1201 0.1201
0.1918 0.1918 2.3238 2.3238 2.8766 2.8766 2.8928 2.8928
6.9080 6.9080 8.7987 8.7987 9.0630 9.0630 11.4550 11.4550
k = 0.0000 0.3857-0.0000 ( 5670 PWs) bands (ev):
-47.2205 -47.2205 -47.2122 -47.2122 -47.2075 -47.2075 -19.3253 -19.3253
-19.3153 -19.3153 -19.3025 -19.3025 -19.1775 -19.1775 -19.1691 -19.1691
-19.1608 -19.1608 -19.0317 -19.0317 -19.0087 -19.0087 -18.9803 -18.9803
-11.6524 -11.6524 -11.3870 -11.3870 -0.4561 -0.4561 0.1224 0.1224
0.1944 0.1944 2.3053 2.3053 2.8731 2.8731 2.8892 2.8892
6.9988 6.9988 8.7536 8.7536 9.0876 9.0876 11.4311 11.4311
k = 0.0000 0.4000-0.0000 ( 5670 PWs) bands (ev):
-47.2202 -47.2202 -47.2124 -47.2124 -47.2075 -47.2075 -19.3252 -19.3252
-19.3146 -19.3146 -19.3029 -19.3029 -19.1775 -19.1775 -19.1686 -19.1686
-19.1613 -19.1613 -19.0316 -19.0316 -19.0099 -19.0099 -18.9805 -18.9805
-11.6485 -11.6485 -11.3866 -11.3866 -0.4712 -0.4712 0.1245 0.1245
0.1967 0.1967 2.2888 2.2888 2.8699 2.8699 2.8858 2.8858
7.0866 7.0866 8.7049 8.7049 9.1103 9.1103 11.4100 11.4100
k = 0.0000 0.4143-0.0000 ( 5662 PWs) bands (ev):
-47.2200 -47.2200 -47.2126 -47.2126 -47.2075 -47.2075 -19.3251 -19.3251
-19.3139 -19.3139 -19.3032 -19.3032 -19.1775 -19.1775 -19.1680 -19.1680
-19.1617 -19.1617 -19.0315 -19.0315 -19.0110 -19.0110 -18.9807 -18.9807
-11.6451 -11.6451 -11.3863 -11.3863 -0.4845 -0.4845 0.1264 0.1264
0.1988 0.1988 2.2744 2.2744 2.8670 2.8670 2.8829 2.8829
7.1703 7.1703 8.6541 8.6541 9.1307 9.1307 11.3916 11.3916
k = 0.0000 0.4286-0.0000 ( 5682 PWs) bands (ev):
-47.2198 -47.2198 -47.2128 -47.2128 -47.2076 -47.2076 -19.3252 -19.3252
-19.3134 -19.3134 -19.3036 -19.3036 -19.1776 -19.1776 -19.1676 -19.1676
-19.1623 -19.1623 -19.0315 -19.0315 -19.0120 -19.0120 -18.9808 -18.9808
-11.6422 -11.6422 -11.3860 -11.3860 -0.4959 -0.4959 0.1280 0.1280
0.2006 0.2006 2.2621 2.2621 2.8646 2.8646 2.8803 2.8803
7.2484 7.2484 8.6032 8.6032 9.1485 9.1485 11.3759 11.3760
k = 0.0000 0.4429-0.0000 ( 5678 PWs) bands (ev):
-47.2196 -47.2196 -47.2130 -47.2130 -47.2076 -47.2076 -19.3251 -19.3251
-19.3128 -19.3128 -19.3040 -19.3040 -19.1776 -19.1776 -19.1671 -19.1671
-19.1627 -19.1627 -19.0314 -19.0314 -19.0129 -19.0129 -18.9809 -18.9809
-11.6397 -11.6397 -11.3858 -11.3858 -0.5052 -0.5052 0.1293 0.1293
0.2021 0.2021 2.2520 2.2520 2.8625 2.8625 2.8782 2.8782
7.3187 7.3187 8.5545 8.5545 9.1635 9.1635 11.3632 11.3632
k = 0.0000 0.4571-0.0000 ( 5686 PWs) bands (ev):
-47.2195 -47.2195 -47.2132 -47.2132 -47.2076 -47.2076 -19.3251 -19.3251
-19.3123 -19.3123 -19.3044 -19.3044 -19.1776 -19.1776 -19.1666 -19.1666
-19.1632 -19.1632 -19.0314 -19.0314 -19.0136 -19.0136 -18.9811 -18.9811
-11.6378 -11.6378 -11.3857 -11.3857 -0.5126 -0.5126 0.1304 0.1304
0.2032 0.2032 2.2441 2.2441 2.8609 2.8609 2.8765 2.8765
7.3789 7.3789 8.5109 8.5109 9.1754 9.1754 11.3532 11.3533
k = 0.0000 0.4714-0.0000 ( 5678 PWs) bands (ev):
-47.2194 -47.2194 -47.2133 -47.2133 -47.2075 -47.2075 -19.3250 -19.3250
-19.3119 -19.3119 -19.3047 -19.3047 -19.1776 -19.1776 -19.1661 -19.1661
-19.1636 -19.1636 -19.0313 -19.0313 -19.0140 -19.0140 -18.9811 -18.9811
-11.6364 -11.6364 -11.3855 -11.3855 -0.5179 -0.5179 0.1312 0.1312
0.2041 0.2041 2.2384 2.2384 2.8598 2.8598 2.8753 2.8753
7.4256 7.4256 8.4758 8.4758 9.1841 9.1841 11.3460 11.3461
k = 0.0000 0.4857-0.0000 ( 5698 PWs) bands (ev):
-47.2193 -47.2193 -47.2134 -47.2134 -47.2075 -47.2075 -19.3250 -19.3250
-19.3117 -19.3117 -19.3050 -19.3050 -19.1777 -19.1777 -19.1658 -19.1658
-19.1639 -19.1639 -19.0313 -19.0313 -19.0144 -19.0144 -18.9813 -18.9813
-11.6355 -11.6355 -11.3855 -11.3855 -0.5211 -0.5211 0.1316 0.1316
0.2046 0.2046 2.2349 2.2349 2.8591 2.8591 2.8745 2.8745
7.4555 7.4555 8.4528 8.4528 9.1893 9.1893 11.3418 11.3418
k = 0.0000 0.5000-0.0000 ( 5702 PWs) bands (ev):
-47.2193 -47.2193 -47.2134 -47.2134 -47.2075 -47.2075 -19.3250 -19.3250
-19.3116 -19.3116 -19.3051 -19.3051 -19.1777 -19.1777 -19.1657 -19.1657
-19.1641 -19.1641 -19.0313 -19.0313 -19.0145 -19.0145 -18.9813 -18.9813
-11.6352 -11.6352 -11.3855 -11.3855 -0.5221 -0.5221 0.1318 0.1318
0.2048 0.2048 2.2338 2.2338 2.8588 2.8588 2.8743 2.8743
7.4658 7.4658 8.4447 8.4447 9.1911 9.1911 11.3403 11.3403
k = 0.0000 0.5000-0.0000 ( 5702 PWs) bands (ev):
-47.2193 -47.2193 -47.2134 -47.2134 -47.2075 -47.2075 -19.3250 -19.3250
-19.3116 -19.3116 -19.3051 -19.3051 -19.1777 -19.1777 -19.1657 -19.1657
-19.1641 -19.1641 -19.0313 -19.0313 -19.0145 -19.0145 -18.9813 -18.9813
-11.6352 -11.6352 -11.3855 -11.3855 -0.5221 -0.5221 0.1318 0.1318
0.2048 0.2048 2.2338 2.2338 2.8588 2.8588 2.8743 2.8743
7.4658 7.4658 8.4447 8.4447 9.1911 9.1911 11.3403 11.3403
k = 0.0143 0.5000-0.0000 ( 5694 PWs) bands (ev):
-47.2193 -47.2193 -47.2134 -47.2134 -47.2075 -47.2075 -19.3250 -19.3250
-19.3117 -19.3117 -19.3050 -19.3050 -19.1777 -19.1777 -19.1660 -19.1660
-19.1637 -19.1637 -19.0318 -19.0318 -19.0141 -19.0141 -18.9811 -18.9811
-11.6352 -11.6352 -11.3852 -11.3852 -0.5221 -0.5221 0.1310 0.1310
0.2039 0.2039 2.2350 2.2350 2.8586 2.8586 2.8741 2.8741
7.4673 7.4673 8.4447 8.4447 9.1923 9.1923 11.3335 11.3335
k = 0.0286 0.5000-0.0000 ( 5682 PWs) bands (ev):
-47.2193 -47.2193 -47.2134 -47.2134 -47.2076 -47.2076 -19.3250 -19.3250
-19.3119 -19.3119 -19.3048 -19.3048 -19.1778 -19.1778 -19.1667 -19.1667
-19.1628 -19.1628 -19.0331 -19.0331 -19.0131 -19.0131 -18.9809 -18.9809
-11.6350 -11.6350 -11.3846 -11.3846 -0.5220 -0.5220 0.1284 0.1284
0.2016 0.2016 2.2385 2.2385 2.8579 2.8579 2.8735 2.8735
7.4717 7.4717 8.4444 8.4444 9.1959 9.1959 11.3132 11.3132
k = 0.0429 0.5000-0.0000 ( 5678 PWs) bands (ev):
-47.2192 -47.2192 -47.2134 -47.2134 -47.2076 -47.2076 -19.3250 -19.3250
-19.3123 -19.3123 -19.3045 -19.3045 -19.1779 -19.1779 -19.1674 -19.1674
-19.1619 -19.1619 -19.0351 -19.0351 -19.0118 -19.0118 -18.9805 -18.9805
-11.6346 -11.6346 -11.3836 -11.3836 -0.5219 -0.5219 0.1236 0.1236
0.1981 0.1981 2.2443 2.2443 2.8564 2.8564 2.8728 2.8728
7.4791 7.4791 8.4440 8.4440 9.2019 9.2019 11.2807 11.2807
k = 0.0571 0.5000-0.0000 ( 5676 PWs) bands (ev):
-47.2192 -47.2192 -47.2134 -47.2134 -47.2076 -47.2076 -19.3250 -19.3250
-19.3127 -19.3127 -19.3042 -19.3042 -19.1781 -19.1781 -19.1680 -19.1680
-19.1609 -19.1609 -19.0374 -19.0374 -19.0104 -19.0104 -18.9799 -18.9799
-11.6342 -11.6342 -11.3821 -11.3821 -0.5218 -0.5218 0.1163 0.1163
0.1942 0.1942 2.2522 2.2522 2.8540 2.8540 2.8721 2.8721
7.4892 7.4892 8.4432 8.4432 9.2105 9.2105 11.2381 11.2381
k = 0.0714 0.5000-0.0000 ( 5672 PWs) bands (ev):
-47.2191 -47.2191 -47.2134 -47.2134 -47.2077 -47.2077 -19.3250 -19.3250
-19.3132 -19.3132 -19.3038 -19.3038 -19.1784 -19.1784 -19.1686 -19.1686
-19.1598 -19.1598 -19.0401 -19.0401 -19.0089 -19.0089 -18.9792 -18.9792
-11.6336 -11.6336 -11.3802 -11.3802 -0.5216 -0.5216 0.1058 0.1058
0.1905 0.1905 2.2621 2.2621 2.8506 2.8506 2.8716 2.8716
7.5018 7.5018 8.4422 8.4422 9.2216 9.2216 11.1873 11.1873
k = 0.0857 0.5000-0.0000 ( 5672 PWs) bands (ev):
-47.2191 -47.2191 -47.2134 -47.2134 -47.2077 -47.2077 -19.3251 -19.3251
-19.3137 -19.3137 -19.3035 -19.3035 -19.1787 -19.1787 -19.1691 -19.1691
-19.1588 -19.1588 -19.0429 -19.0429 -19.0076 -19.0076 -18.9784 -18.9784
-11.6328 -11.6328 -11.3780 -11.3780 -0.5214 -0.5214 0.0919 0.0919
0.1875 0.1875 2.2738 2.2738 2.8460 2.8460 2.8716 2.8716
7.5168 7.5168 8.4406 8.4406 9.2354 9.2354 11.1305 11.1305
k = 0.1000 0.5000-0.0000 ( 5674 PWs) bands (ev):
-47.2190 -47.2190 -47.2134 -47.2134 -47.2078 -47.2078 -19.3251 -19.3251
-19.3143 -19.3143 -19.3032 -19.3032 -19.1791 -19.1791 -19.1695 -19.1695
-19.1577 -19.1577 -19.0458 -19.0458 -19.0064 -19.0064 -18.9774 -18.9774
-11.6320 -11.6320 -11.3753 -11.3753 -0.5211 -0.5211 0.0748 0.0748
0.1853 0.1853 2.2871 2.2871 2.8404 2.8404 2.8718 2.8718
7.5338 7.5338 8.4385 8.4385 9.2519 9.2519 11.0696 11.0696
k = 0.1143 0.5000-0.0000 ( 5676 PWs) bands (ev):
-47.2189 -47.2189 -47.2134 -47.2134 -47.2079 -47.2079 -19.3252 -19.3252
-19.3149 -19.3149 -19.3029 -19.3029 -19.1795 -19.1795 -19.1698 -19.1698
-19.1567 -19.1567 -19.0488 -19.0488 -19.0053 -19.0053 -18.9762 -18.9762
-11.6310 -11.6310 -11.3724 -11.3724 -0.5209 -0.5209 0.0546 0.0546
0.1840 0.1840 2.3019 2.3019 2.8339 2.8339 2.8723 2.8723
7.5527 7.5527 8.4357 8.4357 9.2714 9.2714 11.0064 11.0064
k = 0.1286 0.5000-0.0000 ( 5672 PWs) bands (ev):
-47.2188 -47.2188 -47.2133 -47.2133 -47.2080 -47.2080 -19.3254 -19.3254
-19.3154 -19.3154 -19.3026 -19.3026 -19.1800 -19.1800 -19.1701 -19.1701
-19.1556 -19.1556 -19.0519 -19.0519 -19.0044 -19.0044 -18.9749 -18.9749
-11.6300 -11.6300 -11.3691 -11.3691 -0.5206 -0.5206 0.0319 0.0319
0.1834 0.1834 2.3179 2.3179 2.8266 2.8266 2.8731 2.8731
7.5729 7.5729 8.4320 8.4320 9.2938 9.2938 10.9423 10.9423
k = 0.1429 0.5000-0.0000 ( 5670 PWs) bands (ev):
-47.2187 -47.2187 -47.2133 -47.2133 -47.2081 -47.2081 -19.3256 -19.3256
-19.3159 -19.3159 -19.3023 -19.3023 -19.1805 -19.1805 -19.1704 -19.1704
-19.1546 -19.1546 -19.0549 -19.0549 -19.0037 -19.0037 -18.9735 -18.9735
-11.6288 -11.6288 -11.3655 -11.3655 -0.5204 -0.5204 0.0070 0.0070
0.1833 0.1833 2.3348 2.3348 2.8186 2.8186 2.8740 2.8740
7.5942 7.5942 8.4274 8.4274 9.3193 9.3193 10.8785 10.8785
k = 0.1571 0.5000-0.0000 ( 5670 PWs) bands (ev):
-47.2185 -47.2185 -47.2133 -47.2133 -47.2082 -47.2082 -19.3258 -19.3258
-19.3163 -19.3163 -19.3021 -19.3021 -19.1810 -19.1810 -19.1705 -19.1705
-19.1535 -19.1535 -19.0580 -19.0580 -19.0032 -19.0032 -18.9720 -18.9720
-11.6276 -11.6276 -11.3616 -11.3616 -0.5202 -0.5202 -0.0197 -0.0197
0.1837 0.1837 2.3525 2.3525 2.8101 2.8101 2.8750 2.8750
7.6163 7.6163 8.4216 8.4216 9.3480 9.3480 10.8161 10.8161
k = 0.1714 0.5000-0.0000 ( 5670 PWs) bands (ev):
-47.2184 -47.2184 -47.2133 -47.2133 -47.2084 -47.2084 -19.3261 -19.3261
-19.3167 -19.3167 -19.3019 -19.3019 -19.1815 -19.1815 -19.1706 -19.1706
-19.1525 -19.1525 -19.0610 -19.0610 -19.0027 -19.0027 -18.9704 -18.9704
-11.6263 -11.6263 -11.3575 -11.3575 -0.5200 -0.5200 -0.0476 -0.0476
0.1844 0.1844 2.3707 2.3707 2.8011 2.8011 2.8761 2.8761
7.6387 7.6387 8.4145 8.4146 9.3798 9.3798 10.7558 10.7558
k = 0.1857 0.5000-0.0000 ( 5670 PWs) bands (ev):
-47.2183 -47.2183 -47.2133 -47.2133 -47.2085 -47.2085 -19.3265 -19.3265
-19.3169 -19.3169 -19.3018 -19.3018 -19.1820 -19.1820 -19.1707 -19.1707
-19.1515 -19.1515 -19.0640 -19.0640 -19.0024 -19.0024 -18.9689 -18.9689
-11.6249 -11.6249 -11.3532 -11.3532 -0.5198 -0.5198 -0.0766 -0.0766
0.1853 0.1853 2.3893 2.3893 2.7917 2.7917 2.8774 2.8774
7.6610 7.6610 8.4062 8.4062 9.4148 9.4148 10.6983 10.6983
k = 0.2000 0.5000-0.0000 ( 5682 PWs) bands (ev):
-47.2181 -47.2181 -47.2133 -47.2133 -47.2087 -47.2087 -19.3270 -19.3270
-19.3172 -19.3172 -19.3017 -19.3017 -19.1825 -19.1825 -19.1708 -19.1708
-19.1506 -19.1506 -19.0670 -19.0670 -19.0023 -19.0023 -18.9673 -18.9673
-11.6235 -11.6235 -11.3488 -11.3488 -0.5197 -0.5197 -0.1062 -0.1062
0.1865 0.1865 2.4081 2.4081 2.7821 2.7821 2.8787 2.8787
7.6831 7.6831 8.3965 8.3965 9.4530 9.4530 10.6440 10.6440
k = 0.2143 0.5000-0.0000 ( 5670 PWs) bands (ev):
-47.2180 -47.2180 -47.2133 -47.2133 -47.2088 -47.2088 -19.3274 -19.3274
-19.3172 -19.3172 -19.3017 -19.3017 -19.1830 -19.1830 -19.1708 -19.1708
-19.1496 -19.1496 -19.0698 -19.0698 -19.0021 -19.0021 -18.9656 -18.9656
-11.6220 -11.6220 -11.3441 -11.3441 -0.5197 -0.5197 -0.1362 -0.1362
0.1879 0.1879 2.4269 2.4269 2.7723 2.7723 2.8801 2.8801
7.7045 7.7045 8.3853 8.3853 9.4941 9.4941 10.5933 10.5933
k = 0.2286 0.5000-0.0000 ( 5680 PWs) bands (ev):
-47.2178 -47.2178 -47.2133 -47.2133 -47.2090 -47.2090 -19.3280 -19.3280
-19.3173 -19.3173 -19.3017 -19.3017 -19.1835 -19.1835 -19.1708 -19.1708
-19.1488 -19.1488 -19.0726 -19.0726 -19.0021 -19.0021 -18.9641 -18.9641
-11.6205 -11.6205 -11.3394 -11.3394 -0.5197 -0.5197 -0.1662 -0.1662
0.1893 0.1893 2.4455 2.4455 2.7625 2.7625 2.8815 2.8815
7.7251 7.7251 8.3727 8.3727 9.5380 9.5380 10.5465 10.5465
k = 0.2429 0.5000-0.0000 ( 5676 PWs) bands (ev):
-47.2176 -47.2176 -47.2133 -47.2133 -47.2092 -47.2092 -19.3285 -19.3285
-19.3173 -19.3173 -19.3017 -19.3017 -19.1840 -19.1840 -19.1707 -19.1707
-19.1479 -19.1479 -19.0753 -19.0753 -19.0022 -19.0022 -18.9625 -18.9625
-11.6189 -11.6189 -11.3347 -11.3347 -0.5198 -0.5198 -0.1961 -0.1961
0.1909 0.1909 2.4638 2.4638 2.7526 2.7526 2.8830 2.8830
7.7445 7.7445 8.3587 8.3587 9.5844 9.5844 10.5038 10.5038
k = 0.2571 0.5000-0.0000 ( 5676 PWs) bands (ev):
-47.2174 -47.2174 -47.2133 -47.2133 -47.2093 -47.2093 -19.3291 -19.3291
-19.3172 -19.3172 -19.3018 -19.3018 -19.1844 -19.1844 -19.1707 -19.1707
-19.1471 -19.1471 -19.0779 -19.0779 -19.0022 -19.0022 -18.9610 -18.9610
-11.6174 -11.6174 -11.3299 -11.3299 -0.5199 -0.5199 -0.2255 -0.2255
0.1925 0.1925 2.4817 2.4817 2.7429 2.7429 2.8845 2.8845
7.7628 7.7628 8.3435 8.3435 9.6328 9.6328 10.4650 10.4650
k = 0.2714 0.5000-0.0000 ( 5684 PWs) bands (ev):
-47.2172 -47.2172 -47.2133 -47.2133 -47.2095 -47.2095 -19.3298 -19.3298
-19.3170 -19.3170 -19.3019 -19.3019 -19.1849 -19.1849 -19.1706 -19.1706
-19.1464 -19.1464 -19.0805 -19.0805 -19.0024 -19.0024 -18.9596 -18.9596
-11.6158 -11.6158 -11.3251 -11.3251 -0.5202 -0.5202 -0.2542 -0.2542
0.1941 0.1941 2.4991 2.4991 2.7334 2.7334 2.8859 2.8859
7.7796 7.7796 8.3272 8.3272 9.6830 9.6830 10.4303 10.4303
k = 0.2857 0.5000-0.0000 ( 5688 PWs) bands (ev):
-47.2170 -47.2170 -47.2133 -47.2133 -47.2097 -47.2097 -19.3304 -19.3304
-19.3168 -19.3168 -19.3021 -19.3021 -19.1853 -19.1853 -19.1705 -19.1705
-19.1457 -19.1457 -19.0828 -19.0828 -19.0025 -19.0025 -18.9582 -18.9582
-11.6143 -11.6143 -11.3204 -11.3204 -0.5206 -0.5206 -0.2820 -0.2820
0.1958 0.1958 2.5158 2.5158 2.7241 2.7241 2.8874 2.8874
7.7950 7.7950 8.3100 8.3100 9.7342 9.7342 10.3995 10.3995
k = 0.3000 0.5000-0.0000 ( 5680 PWs) bands (ev):
-47.2168 -47.2168 -47.2133 -47.2133 -47.2099 -47.2099 -19.3310 -19.3310
-19.3166 -19.3166 -19.3023 -19.3023 -19.1857 -19.1857 -19.1704 -19.1704
-19.1451 -19.1451 -19.0851 -19.0851 -19.0027 -19.0027 -18.9569 -18.9569
-11.6128 -11.6128 -11.3157 -11.3157 -0.5212 -0.5212 -0.3087 -0.3087
0.1974 0.1974 2.5318 2.5318 2.7152 2.7152 2.8888 2.8888
7.8090 7.8090 8.2921 8.2921 9.7860 9.7860 10.3724 10.3724
k = 0.3143 0.5000-0.0000 ( 5676 PWs) bands (ev):
-47.2166 -47.2166 -47.2133 -47.2133 -47.2101 -47.2101 -19.3316 -19.3316
-19.3163 -19.3163 -19.3025 -19.3025 -19.1861 -19.1861 -19.1702 -19.1702
-19.1445 -19.1445 -19.0872 -19.0872 -19.0029 -19.0029 -18.9556 -18.9556
-11.6114 -11.6114 -11.3112 -11.3112 -0.5219 -0.5219 -0.3341 -0.3341
0.1990 0.1990 2.5470 2.5470 2.7066 2.7066 2.8902 2.8902
7.8215 7.8215 8.2738 8.2738 9.8378 9.8378 10.3488 10.3488
k = 0.3286 0.5000-0.0000 ( 5670 PWs) bands (ev):
-47.2164 -47.2164 -47.2133 -47.2133 -47.2104 -47.2104 -19.3322 -19.3322
-19.3159 -19.3159 -19.3028 -19.3028 -19.1864 -19.1864 -19.1701 -19.1701
-19.1440 -19.1440 -19.0891 -19.0891 -19.0030 -19.0030 -18.9544 -18.9544
-11.6100 -11.6100 -11.3069 -11.3069 -0.5228 -0.5228 -0.3581 -0.3581
0.2006 0.2006 2.5613 2.5613 2.6985 2.6985 2.8916 2.8916
7.8327 7.8327 8.2553 8.2553 9.8889 9.8889 10.3285 10.3285
k = 0.3429 0.5000-0.0000 ( 5670 PWs) bands (ev):
-47.2161 -47.2161 -47.2133 -47.2133 -47.2106 -47.2106 -19.3328 -19.3328
-19.3156 -19.3156 -19.3031 -19.3031 -19.1867 -19.1867 -19.1699 -19.1699
-19.1435 -19.1435 -19.0909 -19.0909 -19.0032 -19.0032 -18.9534 -18.9534
-11.6087 -11.6087 -11.3028 -11.3028 -0.5239 -0.5239 -0.3804 -0.3804
0.2021 0.2021 2.5747 2.5747 2.6909 2.6909 2.8929 2.8929
7.8425 7.8425 8.2370 8.2370 9.9385 9.9385 10.3112 10.3112
k = 0.3571 0.5000-0.0000 ( 5666 PWs) bands (ev):
-47.2159 -47.2159 -47.2133 -47.2133 -47.2108 -47.2108 -19.3333 -19.3333
-19.3152 -19.3152 -19.3034 -19.3034 -19.1870 -19.1870 -19.1698 -19.1698
-19.1431 -19.1431 -19.0925 -19.0925 -19.0034 -19.0034 -18.9524 -18.9524
-11.6074 -11.6074 -11.2989 -11.2989 -0.5253 -0.5253 -0.4008 -0.4008
0.2036 0.2036 2.5871 2.5871 2.6839 2.6839 2.8941 2.8941
7.8510 7.8510 8.2191 8.2191 9.9862 9.9862 10.2966 10.2966
k = 0.3714 0.5000-0.0000 ( 5674 PWs) bands (ev):
-47.2156 -47.2156 -47.2133 -47.2133 -47.2111 -47.2111 -19.3338 -19.3338
-19.3148 -19.3148 -19.3038 -19.3038 -19.1872 -19.1872 -19.1697 -19.1697
-19.1428 -19.1428 -19.0940 -19.0940 -19.0036 -19.0036 -18.9515 -18.9515
-11.6063 -11.6063 -11.2953 -11.2953 -0.5270 -0.5270 -0.4192 -0.4192
0.2049 0.2049 2.5984 2.5984 2.6774 2.6774 2.8952 2.8952
7.8584 7.8584 8.2019 8.2019 10.0312 10.0312 10.2845 10.2845
k = 0.3857 0.5000-0.0000 ( 5678 PWs) bands (ev):
-47.2154 -47.2154 -47.2133 -47.2133 -47.2113 -47.2113 -19.3343 -19.3343
-19.3145 -19.3145 -19.3042 -19.3042 -19.1875 -19.1875 -19.1696 -19.1696
-19.1425 -19.1425 -19.0954 -19.0954 -19.0038 -19.0038 -18.9507 -18.9507
-11.6052 -11.6052 -11.2919 -11.2919 -0.5290 -0.5290 -0.4353 -0.4353
0.2061 0.2061 2.6086 2.6086 2.6716 2.6716 2.8963 2.8963
7.8646 7.8646 8.1857 8.1857 10.0729 10.0729 10.2745 10.2745
k = 0.4000 0.5000-0.0000 ( 5680 PWs) bands (ev):
-47.2152 -47.2152 -47.2133 -47.2133 -47.2116 -47.2116 -19.3347 -19.3347
-19.3141 -19.3141 -19.3046 -19.3046 -19.1877 -19.1877 -19.1694 -19.1694
-19.1423 -19.1423 -19.0965 -19.0965 -19.0040 -19.0040 -18.9500 -18.9500
-11.6042 -11.6042 -11.2889 -11.2889 -0.5316 -0.5316 -0.4492 -0.4492
0.2073 0.2073 2.6176 2.6176 2.6664 2.6664 2.8972 2.8972
7.8699 7.8699 8.1708 8.1708 10.1108 10.1108 10.2665 10.2665
k = 0.4143 0.5000-0.0000 ( 5688 PWs) bands (ev):
-47.2149 -47.2149 -47.2133 -47.2133 -47.2118 -47.2118 -19.3350 -19.3350
-19.3137 -19.3137 -19.3050 -19.3050 -19.1879 -19.1879 -19.1693 -19.1693
-19.1422 -19.1422 -19.0975 -19.0975 -19.0041 -19.0041 -18.9494 -18.9494
-11.6034 -11.6034 -11.2863 -11.2863 -0.5345 -0.5345 -0.4606 -0.4606
0.2083 0.2083 2.6255 2.6255 2.6620 2.6620 2.8981 2.8981
7.8743 7.8743 8.1574 8.1574 10.1444 10.1444 10.2602 10.2602
k = 0.4286 0.5000-0.0000 ( 5680 PWs) bands (ev):
-47.2146 -47.2146 -47.2133 -47.2133 -47.2121 -47.2121 -19.3353 -19.3353
-19.3133 -19.3133 -19.3054 -19.3054 -19.1880 -19.1880 -19.1692 -19.1692
-19.1420 -19.1420 -19.0984 -19.0984 -19.0043 -19.0043 -18.9488 -18.9488
-11.6026 -11.6026 -11.2840 -11.2840 -0.5377 -0.5377 -0.4696 -0.4696
0.2091 0.2091 2.6320 2.6320 2.6583 2.6583 2.8988 2.8988
7.8779 7.8779 8.1456 8.1456 10.1732 10.1732 10.2555 10.2555
k = 0.4429 0.5000-0.0000 ( 5676 PWs) bands (ev):
-47.2144 -47.2144 -47.2133 -47.2133 -47.2123 -47.2123 -19.3356 -19.3356
-19.3129 -19.3129 -19.3057 -19.3057 -19.1881 -19.1881 -19.1691 -19.1691
-19.1419 -19.1419 -19.0990 -19.0990 -19.0044 -19.0044 -18.9484 -18.9484
-11.6020 -11.6020 -11.2821 -11.2821 -0.5410 -0.5410 -0.4765 -0.4765
0.2098 0.2098 2.6373 2.6373 2.6555 2.6555 2.8994 2.8994
7.8807 7.8807 8.1358 8.1358 10.1967 10.1967 10.2525 10.2525
k = 0.4571 0.5000-0.0000 ( 5684 PWs) bands (ev):
-47.2141 -47.2141 -47.2133 -47.2133 -47.2126 -47.2126 -19.3358 -19.3358
-19.3126 -19.3126 -19.3060 -19.3060 -19.1882 -19.1882 -19.1691 -19.1691
-19.1418 -19.1418 -19.0996 -19.0996 -19.0045 -19.0045 -18.9481 -18.9481
-11.6015 -11.6015 -11.2806 -11.2806 -0.5441 -0.5441 -0.4813 -0.4813
0.2104 0.2104 2.6409 2.6409 2.6536 2.6536 2.8999 2.8999
7.8828 7.8828 8.1279 8.1279 10.2142 10.2142 10.2513 10.2513
k = 0.4714 0.5000-0.0000 ( 5684 PWs) bands (ev):
-47.2139 -47.2139 -47.2133 -47.2133 -47.2128 -47.2128 -19.3360 -19.3360
-19.3124 -19.3124 -19.3063 -19.3063 -19.1883 -19.1883 -19.1690 -19.1690
-19.1417 -19.1417 -19.1000 -19.1000 -19.0045 -19.0045 -18.9478 -18.9478
-11.6012 -11.6012 -11.2795 -11.2795 -0.5466 -0.5466 -0.4845 -0.4845
0.2108 0.2108 2.6430 2.6430 2.6529 2.6529 2.9002 2.9002
7.8843 7.8843 8.1223 8.1223 10.2251 10.2251 10.2522 10.2522
k = 0.4857 0.5000-0.0000 ( 5684 PWs) bands (ev):
-47.2136 -47.2136 -47.2133 -47.2133 -47.2131 -47.2131 -19.3360 -19.3360
-19.3122 -19.3122 -19.3064 -19.3064 -19.1883 -19.1883 -19.1690 -19.1690
-19.1417 -19.1417 -19.1002 -19.1002 -19.0046 -19.0046 -18.9477 -18.9477
-11.6010 -11.6010 -11.2788 -11.2788 -0.5482 -0.5482 -0.4863 -0.4863
0.2111 0.2111 2.6438 2.6438 2.6529 2.6529 2.9004 2.9004
7.8851 7.8851 8.1188 8.1188 10.2301 10.2301 10.2544 10.2544
k = 0.5000 0.5000-0.0000 ( 5712 PWs) bands (ev):
-47.2134 -47.2134 -47.2133 -47.2133 -47.2133 -47.2133 -19.3362 -19.3362
-19.3122 -19.3122 -19.3066 -19.3066 -19.1885 -19.1885 -19.1690 -19.1690
-19.1418 -19.1418 -19.1003 -19.1003 -19.0047 -19.0047 -18.9477 -18.9477
-11.6009 -11.6009 -11.2786 -11.2786 -0.5488 -0.5488 -0.4869 -0.4869
0.2111 0.2111 2.6440 2.6440 2.6529 2.6529 2.9004 2.9004
7.8854 7.8854 8.1177 8.1177 10.2314 10.2314 10.2555 10.2555
k = 0.5000 0.5000-0.0000 ( 5712 PWs) bands (ev):
-47.2134 -47.2134 -47.2133 -47.2133 -47.2133 -47.2133 -19.3362 -19.3362
-19.3122 -19.3122 -19.3066 -19.3066 -19.1885 -19.1885 -19.1690 -19.1690
-19.1418 -19.1418 -19.1003 -19.1003 -19.0047 -19.0047 -18.9477 -18.9477
-11.6009 -11.6009 -11.2786 -11.2786 -0.5488 -0.5488 -0.4869 -0.4869
0.2111 0.2111 2.6440 2.6440 2.6529 2.6529 2.9004 2.9004
7.8854 7.8854 8.1177 8.1177 10.2314 10.2314 10.2555 10.2555
k = 0.4900 0.4900-0.0000 ( 5684 PWs) bands (ev):
-47.2136 -47.2136 -47.2133 -47.2133 -47.2131 -47.2131 -19.3360 -19.3360
-19.3122 -19.3122 -19.3064 -19.3064 -19.1883 -19.1883 -19.1690 -19.1690
-19.1417 -19.1417 -19.1002 -19.1002 -19.0046 -19.0046 -18.9477 -18.9477
-11.6010 -11.6010 -11.2788 -11.2788 -0.5482 -0.5482 -0.4864 -0.4864
0.2111 0.2111 2.6438 2.6438 2.6529 2.6529 2.9004 2.9004
7.8851 7.8851 8.1188 8.1188 10.2302 10.2302 10.2543 10.2543
k = 0.4800 0.4800-0.0000 ( 5684 PWs) bands (ev):
-47.2139 -47.2139 -47.2133 -47.2133 -47.2128 -47.2128 -19.3360 -19.3360
-19.3124 -19.3124 -19.3063 -19.3063 -19.1883 -19.1883 -19.1690 -19.1690
-19.1417 -19.1417 -19.1000 -19.1000 -19.0045 -19.0045 -18.9478 -18.9478
-11.6012 -11.6012 -11.2795 -11.2795 -0.5466 -0.5466 -0.4846 -0.4846
0.2108 0.2108 2.6432 2.6432 2.6528 2.6528 2.9002 2.9002
7.8839 7.8839 8.1225 8.1225 10.2267 10.2267 10.2508 10.2508
k = 0.4700 0.4700-0.0000 ( 5684 PWs) bands (ev):
-47.2142 -47.2142 -47.2133 -47.2133 -47.2126 -47.2126 -19.3358 -19.3358
-19.3126 -19.3126 -19.3060 -19.3060 -19.1882 -19.1882 -19.1691 -19.1691
-19.1418 -19.1418 -19.0996 -19.0996 -19.0045 -19.0045 -18.9481 -18.9481
-11.6015 -11.6015 -11.2805 -11.2805 -0.5438 -0.5438 -0.4818 -0.4818
0.2104 0.2104 2.6415 2.6415 2.6532 2.6532 2.8999 2.8999
7.8812 7.8812 8.1293 8.1293 10.2209 10.2209 10.2451 10.2451
k = 0.4600 0.4600-0.0000 ( 5690 PWs) bands (ev):
-47.2144 -47.2144 -47.2132 -47.2132 -47.2124 -47.2124 -19.3356 -19.3356
-19.3129 -19.3129 -19.3058 -19.3058 -19.1881 -19.1881 -19.1692 -19.1692
-19.1419 -19.1419 -19.0991 -19.0991 -19.0044 -19.0044 -18.9484 -18.9484
-11.6020 -11.6020 -11.2820 -11.2820 -0.5400 -0.5400 -0.4778 -0.4778
0.2098 0.2098 2.6385 2.6385 2.6545 2.6545 2.8994 2.8994
7.8759 7.8759 8.1400 8.1400 10.2124 10.2124 10.2376 10.2376
k = 0.4500 0.4500-0.0000 ( 5682 PWs) bands (ev):
-47.2147 -47.2147 -47.2132 -47.2132 -47.2121 -47.2121 -19.3354 -19.3354
-19.3133 -19.3133 -19.3054 -19.3054 -19.1880 -19.1880 -19.1692 -19.1692
-19.1420 -19.1420 -19.0984 -19.0984 -19.0043 -19.0043 -18.9488 -18.9488
-11.6027 -11.6027 -11.2839 -11.2839 -0.5351 -0.5351 -0.4728 -0.4728
0.2091 0.2091 2.6344 2.6344 2.6566 2.6566 2.8989 2.8989
7.8669 7.8669 8.1555 8.1555 10.2012 10.2012 10.2290 10.2290
k = 0.4400 0.4400-0.0000 ( 5676 PWs) bands (ev):
-47.2150 -47.2150 -47.2131 -47.2131 -47.2119 -47.2119 -19.3351 -19.3351
-19.3137 -19.3137 -19.3050 -19.3050 -19.1879 -19.1879 -19.1693 -19.1693
-19.1421 -19.1421 -19.0976 -19.0976 -19.0041 -19.0041 -18.9493 -18.9493
-11.6034 -11.6034 -11.2861 -11.2861 -0.5291 -0.5291 -0.4666 -0.4666
0.2082 0.2082 2.6292 2.6292 2.6594 2.6594 2.8983 2.8983
7.8534 7.8534 8.1764 8.1764 10.1869 10.1869 10.2198 10.2198
k = 0.4300 0.4300-0.0000 ( 5674 PWs) bands (ev):
-47.2153 -47.2153 -47.2130 -47.2130 -47.2117 -47.2117 -19.3347 -19.3347
-19.3141 -19.3141 -19.3045 -19.3045 -19.1877 -19.1877 -19.1694 -19.1694
-19.1422 -19.1422 -19.0966 -19.0966 -19.0040 -19.0040 -18.9498 -18.9498
-11.6044 -11.6044 -11.2887 -11.2887 -0.5221 -0.5221 -0.4593 -0.4593
0.2072 0.2072 2.6232 2.6232 2.6629 2.6629 2.8976 2.8976
7.8348 7.8348 8.2027 8.2027 10.1694 10.1694 10.2107 10.2107
k = 0.4200 0.4200-0.0000 ( 5676 PWs) bands (ev):
-47.2156 -47.2156 -47.2130 -47.2130 -47.2115 -47.2115 -19.3343 -19.3343
-19.3145 -19.3145 -19.3041 -19.3041 -19.1875 -19.1875 -19.1696 -19.1696
-19.1425 -19.1425 -19.0954 -19.0954 -19.0038 -19.0038 -18.9505 -18.9505
-11.6055 -11.6055 -11.2916 -11.2916 -0.5140 -0.5140 -0.4510 -0.4510
0.2060 0.2060 2.6166 2.6166 2.6670 2.6670 2.8969 2.8969
7.8108 7.8108 8.2345 8.2345 10.1487 10.1487 10.2021 10.2021
k = 0.4100 0.4100-0.0000 ( 5676 PWs) bands (ev):
-47.2159 -47.2159 -47.2129 -47.2129 -47.2113 -47.2113 -19.3339 -19.3339
-19.3150 -19.3150 -19.3037 -19.3037 -19.1873 -19.1873 -19.1697 -19.1697
-19.1427 -19.1427 -19.0941 -19.0941 -19.0036 -19.0036 -18.9512 -18.9512
-11.6068 -11.6068 -11.2949 -11.2949 -0.5050 -0.5050 -0.4417 -0.4417
0.2046 0.2046 2.6094 2.6094 2.6716 2.6716 2.8962 2.8962
7.7815 7.7815 8.2713 8.2713 10.1249 10.1249 10.1944 10.1944
k = 0.4000 0.4000-0.0000 ( 5678 PWs) bands (ev):
-47.2162 -47.2162 -47.2128 -47.2128 -47.2111 -47.2111 -19.3335 -19.3335
-19.3155 -19.3155 -19.3033 -19.3033 -19.1870 -19.1870 -19.1698 -19.1698
-19.1430 -19.1430 -19.0927 -19.0927 -19.0034 -19.0034 -18.9520 -18.9520
-11.6083 -11.6083 -11.2985 -11.2985 -0.4950 -0.4950 -0.4313 -0.4313
0.2030 0.2030 2.6019 2.6019 2.6767 2.6767 2.8954 2.8954
7.7470 7.7470 8.3124 8.3124 10.0982 10.0982 10.1880 10.1880
k = 0.3900 0.3900-0.0000 ( 5674 PWs) bands (ev):
-47.2165 -47.2165 -47.2127 -47.2127 -47.2109 -47.2109 -19.3330 -19.3330
-19.3159 -19.3159 -19.3028 -19.3028 -19.1868 -19.1868 -19.1700 -19.1700
-19.1434 -19.1434 -19.0910 -19.0910 -19.0032 -19.0032 -18.9529 -18.9529
-11.6100 -11.6100 -11.3023 -11.3023 -0.4842 -0.4842 -0.4200 -0.4200
0.2013 0.2013 2.5942 2.5942 2.6824 2.6824 2.8948 2.8948
7.7072 7.7072 8.3574 8.3574 10.0687 10.0687 10.1832 10.1832
k = 0.3800 0.3800-0.0000 ( 5678 PWs) bands (ev):
-47.2168 -47.2168 -47.2125 -47.2125 -47.2107 -47.2107 -19.3325 -19.3325
-19.3164 -19.3164 -19.3024 -19.3024 -19.1865 -19.1865 -19.1702 -19.1702
-19.1438 -19.1438 -19.0893 -19.0893 -19.0029 -19.0029 -18.9538 -18.9538
-11.6120 -11.6120 -11.3063 -11.3063 -0.4724 -0.4724 -0.4078 -0.4078
0.1994 0.1994 2.5864 2.5864 2.6885 2.6885 2.8942 2.8942
7.6625 7.6625 8.4055 8.4055 10.0365 10.0365 10.1807 10.1807
k = 0.3700 0.3700-0.0000 ( 5670 PWs) bands (ev):
-47.2171 -47.2171 -47.2124 -47.2124 -47.2105 -47.2105 -19.3320 -19.3320
-19.3168 -19.3168 -19.3020 -19.3020 -19.1861 -19.1861 -19.1703 -19.1703
-19.1442 -19.1442 -19.0873 -19.0873 -19.0026 -19.0026 -18.9547 -18.9547
-11.6141 -11.6141 -11.3105 -11.3105 -0.4597 -0.4597 -0.3946 -0.3946
0.1974 0.1974 2.5788 2.5788 2.6951 2.6951 2.8937 2.8937
7.6129 7.6129 8.4560 8.4560 10.0018 10.0018 10.1807 10.1807
k = 0.3600 0.3600-0.0000 ( 5662 PWs) bands (ev):
-47.2174 -47.2174 -47.2123 -47.2123 -47.2103 -47.2103 -19.3314 -19.3314
-19.3173 -19.3173 -19.3016 -19.3016 -19.1858 -19.1858 -19.1704 -19.1704
-19.1447 -19.1447 -19.0852 -19.0852 -19.0024 -19.0024 -18.9557 -18.9557
-11.6165 -11.6165 -11.3149 -11.3149 -0.4463 -0.4463 -0.3806 -0.3806
0.1952 0.1952 2.5715 2.5715 2.7021 2.7021 2.8934 2.8934
7.5587 7.5587 8.5081 8.5081 9.9645 9.9645 10.1838 10.1838
k = 0.3500 0.3500-0.0000 ( 5660 PWs) bands (ev):
-47.2178 -47.2178 -47.2121 -47.2121 -47.2102 -47.2102 -19.3309 -19.3309
-19.3177 -19.3177 -19.3013 -19.3013 -19.1854 -19.1854 -19.1705 -19.1705
-19.1452 -19.1452 -19.0830 -19.0830 -19.0021 -19.0021 -18.9567 -18.9567
-11.6191 -11.6191 -11.3194 -11.3194 -0.4321 -0.4321 -0.3658 -0.3658
0.1928 0.1928 2.5646 2.5646 2.7096 2.7096 2.8933 2.8933
7.5001 7.5001 8.5609 8.5609 9.9250 9.9250 10.1904 10.1904
k = 0.3400 0.3400-0.0000 ( 5656 PWs) bands (ev):
-47.2181 -47.2181 -47.2120 -47.2120 -47.2100 -47.2100 -19.3304 -19.3304
-19.3182 -19.3182 -19.3009 -19.3009 -19.1850 -19.1850 -19.1707 -19.1707
-19.1458 -19.1458 -19.0806 -19.0806 -19.0017 -19.0017 -18.9578 -18.9578
-11.6220 -11.6220 -11.3240 -11.3240 -0.4173 -0.4173 -0.3503 -0.3503
0.1903 0.1903 2.5583 2.5583 2.7175 2.7175 2.8933 2.8933
7.4373 7.4373 8.6134 8.6134 9.8831 9.8831 10.2012 10.2012
k = 0.3300 0.3300-0.0000 ( 5656 PWs) bands (ev):
-47.2184 -47.2184 -47.2118 -47.2118 -47.2099 -47.2099 -19.3299 -19.3299
-19.3186 -19.3186 -19.3006 -19.3006 -19.1847 -19.1847 -19.1708 -19.1708
-19.1464 -19.1464 -19.0782 -19.0782 -19.0014 -19.0014 -18.9588 -18.9588
-11.6251 -11.6251 -11.3286 -11.3286 -0.4017 -0.4017 -0.3341 -0.3341
0.1876 0.1876 2.5528 2.5528 2.7257 2.7257 2.8936 2.8936
7.3706 7.3706 8.6648 8.6648 9.8393 9.8393 10.2166 10.2166
k = 0.3200 0.3200-0.0000 ( 5656 PWs) bands (ev):
-47.2187 -47.2187 -47.2116 -47.2116 -47.2097 -47.2097 -19.3294 -19.3294
-19.3191 -19.3191 -19.3004 -19.3004 -19.1843 -19.1843 -19.1710 -19.1710
-19.1471 -19.1471 -19.0756 -19.0756 -19.0011 -19.0011 -18.9599 -18.9599
-11.6285 -11.6285 -11.3333 -11.3333 -0.3856 -0.3856 -0.3172 -0.3172
0.1848 0.1848 2.5481 2.5481 2.7342 2.7342 2.8941 2.8941
7.3003 7.3003 8.7140 8.7140 9.7934 9.7934 10.2372 10.2372
k = 0.3100 0.3100-0.0000 ( 5662 PWs) bands (ev):
-47.2190 -47.2190 -47.2115 -47.2115 -47.2096 -47.2096 -19.3289 -19.3289
-19.3195 -19.3195 -19.3001 -19.3001 -19.1839 -19.1839 -19.1712 -19.1712
-19.1477 -19.1477 -19.0730 -19.0730 -19.0008 -19.0008 -18.9610 -18.9610
-11.6322 -11.6322 -11.3379 -11.3379 -0.3690 -0.3690 -0.2998 -0.2998
0.1819 0.1819 2.5445 2.5445 2.7431 2.7431 2.8948 2.8948
7.2266 7.2266 8.7599 8.7599 9.7458 9.7458 10.2638 10.2638
k = 0.3000 0.3000-0.0000 ( 5660 PWs) bands (ev):
-47.2193 -47.2193 -47.2113 -47.2113 -47.2094 -47.2094 -19.3284 -19.3284
-19.3199 -19.3199 -19.2999 -19.2999 -19.1834 -19.1834 -19.1713 -19.1713
-19.1484 -19.1484 -19.0703 -19.0703 -19.0004 -19.0004 -18.9620 -18.9620
-11.6362 -11.6362 -11.3425 -11.3425 -0.3519 -0.3519 -0.2819 -0.2819
0.1788 0.1788 2.5421 2.5421 2.7523 2.7523 2.8959 2.8959
7.1500 7.1500 8.8014 8.8014 9.6966 9.6966 10.2967 10.2967
k = 0.2900 0.2900-0.0000 ( 5674 PWs) bands (ev):
-47.2197 -47.2197 -47.2112 -47.2112 -47.2093 -47.2093 -19.3280 -19.3280
-19.3204 -19.3204 -19.2997 -19.2997 -19.1831 -19.1831 -19.1715 -19.1715
-19.1491 -19.1491 -19.0676 -19.0676 -19.0001 -19.0001 -18.9631 -18.9631
-11.6404 -11.6404 -11.3470 -11.3470 -0.3343 -0.3343 -0.2636 -0.2636
0.1757 0.1757 2.5410 2.5410 2.7617 2.7617 2.8972 2.8972
7.0707 7.0707 8.8378 8.8378 9.6460 9.6460 10.3367 10.3367
k = 0.2800 0.2800-0.0000 ( 5674 PWs) bands (ev):
-47.2200 -47.2200 -47.2110 -47.2110 -47.2092 -47.2092 -19.3276 -19.3276
-19.3208 -19.3208 -19.2995 -19.2995 -19.1826 -19.1826 -19.1716 -19.1716
-19.1498 -19.1498 -19.0647 -19.0647 -18.9997 -18.9997 -18.9641 -18.9641
-11.6449 -11.6449 -11.3514 -11.3514 -0.3165 -0.3165 -0.2449 -0.2449
0.1724 0.1724 2.5412 2.5412 2.7713 2.7713 2.8988 2.8988
6.9890 6.9890 8.8681 8.8681 9.5942 9.5942 10.3839 10.3839
k = 0.2700 0.2700-0.0000 ( 5672 PWs) bands (ev):
-47.2203 -47.2203 -47.2108 -47.2108 -47.2090 -47.2090 -19.3272 -19.3272
-19.3212 -19.3212 -19.2994 -19.2994 -19.1822 -19.1822 -19.1717 -19.1717
-19.1504 -19.1504 -19.0619 -19.0619 -18.9993 -18.9993 -18.9651 -18.9651
-11.6496 -11.6496 -11.3557 -11.3557 -0.2984 -0.2984 -0.2259 -0.2259
0.1690 0.1690 2.5430 2.5430 2.7812 2.7812 2.9007 2.9007
6.9053 6.9053 8.8920 8.8920 9.5413 9.5413 10.4388 10.4388
k = 0.2600 0.2600-0.0000 ( 5674 PWs) bands (ev):
-47.2206 -47.2206 -47.2106 -47.2106 -47.2089 -47.2089 -19.3269 -19.3269
-19.3216 -19.3216 -19.2993 -19.2993 -19.1818 -19.1818 -19.1719 -19.1719
-19.1511 -19.1511 -19.0591 -19.0591 -18.9988 -18.9988 -18.9660 -18.9660
-11.6546 -11.6546 -11.3598 -11.3598 -0.2801 -0.2801 -0.2067 -0.2067
0.1656 0.1656 2.5464 2.5464 2.7912 2.7912 2.9029 2.9029
6.8199 6.8199 8.9092 8.9092 9.4876 9.4876 10.5011 10.5011
k = 0.2500 0.2500-0.0000 ( 5670 PWs) bands (ev):
-47.2209 -47.2209 -47.2104 -47.2104 -47.2088 -47.2088 -19.3266 -19.3266
-19.3219 -19.3219 -19.2991 -19.2991 -19.1814 -19.1814 -19.1720 -19.1720
-19.1517 -19.1517 -19.0562 -19.0562 -18.9983 -18.9983 -18.9669 -18.9669
-11.6598 -11.6598 -11.3637 -11.3637 -0.2616 -0.2616 -0.1874 -0.1874
0.1621 0.1621 2.5514 2.5514 2.8013 2.8013 2.9055 2.9055
6.7331 6.7331 8.9197 8.9197 9.4334 9.4334 10.5707 10.5707
k = 0.2400 0.2400-0.0000 ( 5674 PWs) bands (ev):
-47.2212 -47.2212 -47.2103 -47.2103 -47.2087 -47.2087 -19.3264 -19.3264
-19.3223 -19.3223 -19.2990 -19.2990 -19.1810 -19.1810 -19.1722 -19.1722
-19.1523 -19.1523 -19.0535 -19.0535 -18.9978 -18.9978 -18.9677 -18.9677
-11.6651 -11.6651 -11.3675 -11.3675 -0.2432 -0.2432 -0.1681 -0.1681
0.1587 0.1587 2.5582 2.5582 2.8115 2.8115 2.9083 2.9083
6.6453 6.6453 8.9238 8.9238 9.3787 9.3787 10.6472 10.6472
k = 0.2300 0.2300-0.0000 ( 5676 PWs) bands (ev):
-47.2215 -47.2215 -47.2101 -47.2101 -47.2086 -47.2086 -19.3262 -19.3262
-19.3227 -19.3227 -19.2990 -19.2990 -19.1807 -19.1807 -19.1723 -19.1723
-19.1529 -19.1529 -19.0508 -19.0508 -18.9972 -18.9972 -18.9685 -18.9685
-11.6707 -11.6707 -11.3711 -11.3711 -0.2248 -0.2248 -0.1488 -0.1488
0.1552 0.1552 2.5667 2.5667 2.8217 2.8217 2.9114 2.9114
6.5567 6.5567 8.9219 8.9219 9.3239 9.3239 10.7299 10.7299
k = 0.2200 0.2200-0.0000 ( 5686 PWs) bands (ev):
-47.2218 -47.2218 -47.2099 -47.2099 -47.2085 -47.2085 -19.3261 -19.3261
-19.3231 -19.3231 -19.2989 -19.2989 -19.1803 -19.1803 -19.1725 -19.1725
-19.1534 -19.1534 -19.0483 -19.0483 -18.9966 -18.9966 -18.9692 -18.9692
-11.6764 -11.6764 -11.3745 -11.3745 -0.2065 -0.2065 -0.1296 -0.1296
0.1517 0.1517 2.5770 2.5770 2.8320 2.8320 2.9147 2.9147
6.4676 6.4676 8.9147 8.9147 9.2692 9.2692 10.8181 10.8182
k = 0.2100 0.2100-0.0000 ( 5686 PWs) bands (ev):
-47.2221 -47.2221 -47.2097 -47.2097 -47.2084 -47.2084 -19.3260 -19.3260
-19.3234 -19.3234 -19.2988 -19.2988 -19.1800 -19.1800 -19.1727 -19.1727
-19.1538 -19.1538 -19.0458 -19.0458 -18.9959 -18.9959 -18.9699 -18.9699
-11.6822 -11.6822 -11.3776 -11.3776 -0.1884 -0.1884 -0.1107 -0.1107
0.1482 0.1482 2.5892 2.5892 2.8422 2.8422 2.9182 2.9182
6.3784 6.3784 8.9028 8.9028 9.2148 9.2148 10.9112 10.9112
k = 0.2000 0.2000-0.0000 ( 5692 PWs) bands (ev):
-47.2223 -47.2223 -47.2096 -47.2096 -47.2083 -47.2083 -19.3260 -19.3260
-19.3237 -19.3237 -19.2988 -19.2988 -19.1797 -19.1797 -19.1729 -19.1729
-19.1542 -19.1542 -19.0435 -19.0435 -18.9951 -18.9951 -18.9705 -18.9705
-11.6880 -11.6880 -11.3806 -11.3806 -0.1706 -0.1706 -0.0920 -0.0920
0.1449 0.1449 2.6032 2.6032 2.8524 2.8524 2.9220 2.9220
6.2894 6.2894 8.8869 8.8869 9.1610 9.1610 11.0082 11.0082
k = 0.1900 0.1900-0.0000 ( 5684 PWs) bands (ev):
-47.2226 -47.2226 -47.2094 -47.2094 -47.2083 -47.2083 -19.3259 -19.3259
-19.3240 -19.3240 -19.2988 -19.2988 -19.1794 -19.1794 -19.1731 -19.1731
-19.1545 -19.1545 -19.0413 -19.0413 -18.9941 -18.9941 -18.9711 -18.9711
-11.6939 -11.6939 -11.3834 -11.3834 -0.1533 -0.1533 -0.0736 -0.0736
0.1416 0.1416 2.6188 2.6188 2.8624 2.8624 2.9260 2.9260
6.2009 6.2009 8.8677 8.8677 9.1079 9.1079 11.1084 11.1084
k = 0.1800 0.1800-0.0000 ( 5686 PWs) bands (ev):
-47.2229 -47.2229 -47.2092 -47.2092 -47.2082 -47.2082 -19.3260 -19.3260
-19.3243 -19.3243 -19.2987 -19.2987 -19.1791 -19.1791 -19.1734 -19.1734
-19.1548 -19.1548 -19.0393 -19.0393 -18.9931 -18.9931 -18.9716 -18.9716
-11.6998 -11.6998 -11.3860 -11.3860 -0.1363 -0.1363 -0.0557 -0.0557
0.1385 0.1385 2.6362 2.6362 2.8723 2.8723 2.9302 2.9302
6.1131 6.1131 8.8460 8.8460 9.0559 9.0559 11.2109 11.2109
k = 0.1700 0.1700-0.0000 ( 5685 PWs) bands (ev):
-47.2231 -47.2231 -47.2091 -47.2091 -47.2081 -47.2081 -19.3260 -19.3260
-19.3246 -19.3246 -19.2987 -19.2987 -19.1788 -19.1788 -19.1737 -19.1737
-19.1550 -19.1550 -19.0375 -19.0375 -18.9920 -18.9920 -18.9720 -18.9720
-11.7056 -11.7056 -11.3884 -11.3884 -0.1200 -0.1200 -0.0383 -0.0383
0.1355 0.1355 2.6552 2.6552 2.8820 2.8820 2.9344 2.9344
6.0265 6.0265 8.8223 8.8223 9.0051 9.0051 11.3150 11.3150
k = 0.1600 0.1600-0.0000 ( 5681 PWs) bands (ev):
-47.2233 -47.2233 -47.2089 -47.2089 -47.2081 -47.2081 -19.3261 -19.3261
-19.3249 -19.3249 -19.2987 -19.2987 -19.1786 -19.1786 -19.1739 -19.1739
-19.1551 -19.1551 -19.0359 -19.0359 -18.9907 -18.9907 -18.9724 -18.9724
-11.7114 -11.7114 -11.3906 -11.3906 -0.1043 -0.1043 -0.0215 -0.0215
0.1327 0.1327 2.6757 2.6757 2.8914 2.8914 2.9388 2.9388
5.9412 5.9412 8.7973 8.7973 8.9558 8.9558 11.4198 11.4198
k = 0.1500 0.1500-0.0000 ( 5685 PWs) bands (ev):
-47.2235 -47.2235 -47.2087 -47.2087 -47.2080 -47.2080 -19.3262 -19.3262
-19.3252 -19.3252 -19.2986 -19.2986 -19.1784 -19.1784 -19.1742 -19.1742
-19.1552 -19.1552 -19.0345 -19.0345 -18.9895 -18.9895 -18.9728 -18.9728
-11.7170 -11.7170 -11.3926 -11.3926 -0.0894 -0.0894 -0.0053 -0.0053
0.1302 0.1302 2.6975 2.6975 2.9005 2.9005 2.9432 2.9432
5.8578 5.8578 8.7714 8.7714 8.9081 8.9081 11.5246 11.5246
k = 0.1400 0.1400-0.0000 ( 5679 PWs) bands (ev):
-47.2238 -47.2238 -47.2086 -47.2086 -47.2079 -47.2079 -19.3264 -19.3264
-19.3254 -19.3254 -19.2986 -19.2986 -19.1782 -19.1782 -19.1745 -19.1745
-19.1553 -19.1553 -19.0333 -19.0333 -18.9881 -18.9881 -18.9731 -18.9731
-11.7225 -11.7225 -11.3945 -11.3945 -0.0753 -0.0753 0.0102 0.0102
0.1279 0.1279 2.7205 2.7205 2.9092 2.9092 2.9477 2.9477
5.7764 5.7764 8.7453 8.7453 8.8624 8.8624 11.6286 11.6286
k = 0.1300 0.1300-0.0000 ( 5669 PWs) bands (ev):
-47.2239 -47.2239 -47.2085 -47.2085 -47.2079 -47.2079 -19.3265 -19.3265
-19.3257 -19.3257 -19.2985 -19.2985 -19.1780 -19.1780 -19.1747 -19.1747
-19.1553 -19.1553 -19.0323 -19.0323 -18.9866 -18.9866 -18.9733 -18.9733
-11.7277 -11.7277 -11.3962 -11.3962 -0.0621 -0.0621 0.0249 0.0249
0.1259 0.1259 2.7444 2.7444 2.9175 2.9175 2.9521 2.9521
5.6976 5.6976 8.7193 8.7193 8.8189 8.8189 11.7308 11.7308
k = 0.1200 0.1200-0.0000 ( 5665 PWs) bands (ev):
-47.2241 -47.2241 -47.2083 -47.2083 -47.2078 -47.2078 -19.3266 -19.3266
-19.3259 -19.3259 -19.2985 -19.2985 -19.1778 -19.1778 -19.1750 -19.1750
-19.1553 -19.1553 -19.0314 -19.0314 -18.9852 -18.9852 -18.9735 -18.9735
-11.7328 -11.7328 -11.3978 -11.3978 -0.0499 -0.0499 0.0388 0.0388
0.1242 0.1242 2.7690 2.7690 2.9254 2.9254 2.9565 2.9565
5.6216 5.6216 8.6938 8.6938 8.7776 8.7776 11.8305 11.8305
k = 0.1100 0.1100-0.0000 ( 5649 PWs) bands (ev):
-47.2243 -47.2243 -47.2082 -47.2082 -47.2078 -47.2078 -19.3268 -19.3268
-19.3261 -19.3261 -19.2984 -19.2984 -19.1777 -19.1777 -19.1752 -19.1752
-19.1552 -19.1552 -19.0306 -19.0306 -18.9837 -18.9837 -18.9736 -18.9736
-11.7375 -11.7375 -11.3992 -11.3992 -0.0387 -0.0387 0.0518 0.0518
0.1229 0.1229 2.7940 2.7940 2.9328 2.9328 2.9609 2.9609
5.5490 5.5490 8.6692 8.6692 8.7389 8.7389 11.9267 11.9267
k = 0.1000 0.1000-0.0000 ( 5657 PWs) bands (ev):
-47.2244 -47.2244 -47.2081 -47.2081 -47.2077 -47.2077 -19.3269 -19.3269
-19.3264 -19.3264 -19.2984 -19.2984 -19.1776 -19.1776 -19.1755 -19.1755
-19.1551 -19.1551 -19.0301 -19.0301 -18.9824 -18.9824 -18.9738 -18.9738
-11.7420 -11.7420 -11.4004 -11.4004 -0.0286 -0.0286 0.0638 0.0638
0.1219 0.1219 2.8189 2.8189 2.9397 2.9397 2.9651 2.9651
5.4801 5.4801 8.6457 8.6457 8.7029 8.7029 12.0186 12.0186
k = 0.0900 0.0900-0.0000 ( 5651 PWs) bands (ev):
-47.2246 -47.2246 -47.2080 -47.2080 -47.2077 -47.2077 -19.3271 -19.3271
-19.3266 -19.3266 -19.2983 -19.2983 -19.1774 -19.1774 -19.1758 -19.1758
-19.1550 -19.1550 -19.0296 -19.0296 -18.9810 -18.9810 -18.9739 -18.9739
-11.7461 -11.7461 -11.4015 -11.4015 -0.0197 -0.0197 0.0749 0.0749
0.1214 0.1214 2.8435 2.8435 2.9461 2.9461 2.9692 2.9692
5.4154 5.4154 8.6238 8.6238 8.6697 8.6697 12.1052 12.1053
k = 0.0800 0.0800-0.0000 ( 5645 PWs) bands (ev):
-47.2247 -47.2247 -47.2079 -47.2079 -47.2076 -47.2076 -19.3272 -19.3272
-19.3268 -19.3268 -19.2983 -19.2983 -19.1774 -19.1774 -19.1760 -19.1760
-19.1549 -19.1549 -19.0292 -19.0292 -18.9797 -18.9797 -18.9740 -18.9740
-11.7499 -11.7499 -11.4025 -11.4025 -0.0119 -0.0119 0.0849 0.0849
0.1211 0.1211 2.8671 2.8671 2.9520 2.9520 2.9730 2.9730
5.3555 5.3555 8.6035 8.6035 8.6396 8.6396 12.1857 12.1857
k = 0.0700 0.0700-0.0000 ( 5645 PWs) bands (ev):
-47.2248 -47.2248 -47.2078 -47.2078 -47.2076 -47.2076 -19.3273 -19.3273
-19.3270 -19.3270 -19.2983 -19.2983 -19.1773 -19.1773 -19.1762 -19.1762
-19.1548 -19.1548 -19.0289 -19.0289 -18.9786 -18.9786 -18.9741 -18.9741
-11.7533 -11.7533 -11.4034 -11.4034 -0.0053 -0.0053 0.0939 0.0939
0.1212 0.1212 2.8894 2.8894 2.9574 2.9574 2.9767 2.9767
5.3008 5.3008 8.5852 8.5852 8.6127 8.6127 12.2590 12.2590
k = 0.0600 0.0600-0.0000 ( 5661 PWs) bands (ev):
-47.2249 -47.2249 -47.2077 -47.2077 -47.2076 -47.2076 -19.3275 -19.3275
-19.3272 -19.3272 -19.2983 -19.2983 -19.1773 -19.1773 -19.1764 -19.1764
-19.1548 -19.1548 -19.0287 -19.0287 -18.9775 -18.9775 -18.9742 -18.9742
-11.7562 -11.7562 -11.4041 -11.4041 0.0003 0.0003 0.1017 0.1017
0.1215 0.1215 2.9095 2.9095 2.9625 2.9625 2.9799 2.9799
5.2519 5.2519 8.5690 8.5690 8.5891 8.5891 12.3244 12.3244
k = 0.0500 0.0500-0.0000 ( 5677 PWs) bands (ev):
-47.2250 -47.2250 -47.2077 -47.2077 -47.2076 -47.2076 -19.3276 -19.3276
-19.3275 -19.3275 -19.2983 -19.2983 -19.1772 -19.1772 -19.1766 -19.1766
-19.1548 -19.1548 -19.0286 -19.0286 -18.9766 -18.9766 -18.9743 -18.9743
-11.7588 -11.7588 -11.4047 -11.4047 0.0048 0.0048 0.1084 0.1084
0.1219 0.1219 2.9269 2.9269 2.9675 2.9675 2.9829 2.9829
5.2094 5.2094 8.5550 8.5550 8.5689 8.5689 12.3810 12.3810
k = 0.0400 0.0400-0.0000 ( 5677 PWs) bands (ev):
-47.2251 -47.2251 -47.2076 -47.2076 -47.2076 -47.2076 -19.3277 -19.3277
-19.3276 -19.3276 -19.2983 -19.2983 -19.1772 -19.1772 -19.1768 -19.1768
-19.1547 -19.1547 -19.0285 -19.0285 -18.9759 -18.9759 -18.9743 -18.9743
-11.7609 -11.7609 -11.4052 -11.4052 0.0083 0.0083 0.1139 0.1139
0.1225 0.1225 2.9407 2.9407 2.9730 2.9730 2.9854 2.9854
5.1737 5.1737 8.5434 8.5434 8.5523 8.5523 12.4281 12.4281
k = 0.0300 0.0300-0.0000 ( 5677 PWs) bands (ev):
-47.2252 -47.2252 -47.2076 -47.2076 -47.2076 -47.2076 -19.3278 -19.3278
-19.3277 -19.3277 -19.2983 -19.2983 -19.1772 -19.1772 -19.1769 -19.1769
-19.1547 -19.1547 -19.0284 -19.0284 -18.9753 -18.9753 -18.9744 -18.9744
-11.7626 -11.7626 -11.4056 -11.4056 0.0110 0.0110 0.1182 0.1182
0.1230 0.1230 2.9502 2.9502 2.9789 2.9789 2.9874 2.9874
5.1454 5.1454 8.5342 8.5342 8.5392 8.5392 12.4654 12.4654
k = 0.0200 0.0200-0.0000 ( 5685 PWs) bands (ev):
-47.2252 -47.2252 -47.2076 -47.2076 -47.2076 -47.2076 -19.3279 -19.3279
-19.3279 -19.3279 -19.2982 -19.2982 -19.1772 -19.1772 -19.1770 -19.1770
-19.1547 -19.1547 -19.0283 -19.0283 -18.9748 -18.9748 -18.9744 -18.9744
-11.7637 -11.7637 -11.4059 -11.4059 0.0128 0.0128 0.1213 0.1213
0.1234 0.1234 2.9559 2.9559 2.9845 2.9845 2.9888 2.9888
5.1249 5.1249 8.5276 8.5276 8.5299 8.5299 12.4922 12.4922
k = 0.0100 0.0100-0.0000 ( 5695 PWs) bands (ev):
-47.2252 -47.2252 -47.2076 -47.2076 -47.2076 -47.2076 -19.3280 -19.3280
-19.3280 -19.3280 -19.2982 -19.2982 -19.1772 -19.1772 -19.1771 -19.1771
-19.1547 -19.1547 -19.0283 -19.0283 -18.9745 -18.9745 -18.9744 -18.9744
-11.7645 -11.7645 -11.4060 -11.4060 0.0139 0.0139 0.1232 0.1232
0.1237 0.1237 2.9588 2.9588 2.9885 2.9885 2.9897 2.9897
5.1124 5.1124 8.5237 8.5237 8.5242 8.5242 12.5092 12.5126
k = 0.0000 0.0000 0.0000 ( 5695 PWs) bands (ev):
-47.2252 -47.2252 -47.2076 -47.2076 -47.2076 -47.2076 -19.3280 -19.3280
-19.3280 -19.3280 -19.2982 -19.2982 -19.1772 -19.1772 -19.1772 -19.1772
-19.1547 -19.1547 -19.0283 -19.0283 -18.9744 -18.9744 -18.9744 -18.9744
-11.7647 -11.7647 -11.4061 -11.4061 0.0143 0.0143 0.1238 0.1238
0.1238 0.1238 2.9597 2.9597 2.9900 2.9900 2.9900 2.9900
5.1082 5.1082 8.5223 8.5223 8.5223 8.5223 12.5138 12.5140
k = 0.0000 0.0000 0.0000 ( 5695 PWs) bands (ev):
-47.2252 -47.2252 -47.2076 -47.2076 -47.2076 -47.2076 -19.3280 -19.3280
-19.3280 -19.3280 -19.2982 -19.2982 -19.1772 -19.1772 -19.1772 -19.1772
-19.1547 -19.1547 -19.0283 -19.0283 -18.9744 -18.9744 -18.9744 -18.9744
-11.7647 -11.7647 -11.4061 -11.4061 0.0143 0.0143 0.1238 0.1238
0.1238 0.1238 2.9597 2.9597 2.9900 2.9900 2.9900 2.9900
5.1082 5.1082 8.5223 8.5223 8.5223 8.5223 12.5138 12.5142
k = 0.0082 0.0082 0.0082 ( 5695 PWs) bands (ev):
-47.2252 -47.2252 -47.2076 -47.2076 -47.2076 -47.2076 -19.3280 -19.3280
-19.3280 -19.3280 -19.2982 -19.2982 -19.1772 -19.1772 -19.1771 -19.1771
-19.1547 -19.1547 -19.0283 -19.0283 -18.9745 -18.9745 -18.9744 -18.9744
-11.7645 -11.7645 -11.4060 -11.4060 0.0139 0.0139 0.1234 0.1234
0.1235 0.1235 2.9588 2.9588 2.9886 2.9886 2.9897 2.9897
5.1124 5.1124 8.5239 8.5239 8.5240 8.5240 12.5098 12.5101
k = 0.0164 0.0164 0.0164 ( 5686 PWs) bands (ev):
-47.2252 -47.2252 -47.2076 -47.2076 -47.2076 -47.2076 -19.3279 -19.3279
-19.3279 -19.3279 -19.2982 -19.2982 -19.1772 -19.1772 -19.1770 -19.1770
-19.1547 -19.1547 -19.0283 -19.0283 -18.9748 -18.9748 -18.9743 -18.9743
-11.7637 -11.7637 -11.4059 -11.4059 0.0128 0.0128 0.1222 0.1222
0.1225 0.1225 2.9559 2.9559 2.9846 2.9846 2.9887 2.9887
5.1250 5.1250 8.5288 8.5288 8.5288 8.5288 12.4981 12.4983
k = 0.0246 0.0246 0.0246 ( 5683 PWs) bands (ev):
-47.2252 -47.2252 -47.2076 -47.2076 -47.2076 -47.2076 -19.3278 -19.3278
-19.3278 -19.3278 -19.2983 -19.2983 -19.1772 -19.1772 -19.1769 -19.1769
-19.1547 -19.1547 -19.0284 -19.0284 -18.9753 -18.9753 -18.9743 -18.9743
-11.7625 -11.7625 -11.4056 -11.4056 0.0110 0.0110 0.1203 0.1203
0.1208 0.1208 2.9503 2.9503 2.9789 2.9789 2.9870 2.9870
5.1457 5.1457 8.5368 8.5368 8.5369 8.5369 12.4790 12.4792
k = 0.0328 0.0328 0.0328 ( 5671 PWs) bands (ev):
-47.2251 -47.2251 -47.2076 -47.2076 -47.2076 -47.2076 -19.3277 -19.3277
-19.3276 -19.3276 -19.2983 -19.2983 -19.1772 -19.1772 -19.1768 -19.1768
-19.1547 -19.1547 -19.0284 -19.0284 -18.9759 -18.9759 -18.9743 -18.9743
-11.7609 -11.7609 -11.4052 -11.4052 0.0085 0.0085 0.1175 0.1175
0.1185 0.1185 2.9412 2.9412 2.9729 2.9729 2.9847 2.9847
5.1742 5.1742 8.5479 8.5479 8.5482 8.5482 12.4528 12.4528
k = 0.0410 0.0410 0.0410 ( 5668 PWs) bands (ev):
-47.2250 -47.2250 -47.2076 -47.2076 -47.2076 -47.2076 -19.3276 -19.3276
-19.3275 -19.3275 -19.2983 -19.2983 -19.1773 -19.1773 -19.1766 -19.1766
-19.1547 -19.1547 -19.0286 -19.0286 -18.9767 -18.9767 -18.9742 -18.9742
-11.7587 -11.7587 -11.4047 -11.4047 0.0053 0.0053 0.1140 0.1140
0.1154 0.1154 2.9281 2.9281 2.9672 2.9672 2.9817 2.9817
5.2101 5.2101 8.5621 8.5621 8.5626 8.5626 12.4199 12.4200
k = 0.0492 0.0492 0.0492 ( 5662 PWs) bands (ev):
-47.2250 -47.2250 -47.2077 -47.2077 -47.2077 -47.2077 -19.3274 -19.3274
-19.3273 -19.3273 -19.2983 -19.2983 -19.1773 -19.1773 -19.1763 -19.1763
-19.1548 -19.1548 -19.0288 -19.0288 -18.9777 -18.9777 -18.9741 -18.9741
-11.7562 -11.7562 -11.4040 -11.4040 0.0014 0.0014 0.1097 0.1097
0.1117 0.1117 2.9117 2.9117 2.9619 2.9619 2.9781 2.9781
5.2529 5.2529 8.5794 8.5794 8.5801 8.5801 12.3808 12.3811
k = 0.0574 0.0574 0.0574 ( 5668 PWs) bands (ev):
-47.2249 -47.2249 -47.2077 -47.2077 -47.2077 -47.2077 -19.3273 -19.3273
-19.3272 -19.3272 -19.2984 -19.2984 -19.1775 -19.1775 -19.1761 -19.1761
-19.1548 -19.1548 -19.0290 -19.0290 -18.9788 -18.9788 -18.9740 -18.9740
-11.7532 -11.7532 -11.4033 -11.4033 -0.0032 -0.0032 0.1047 0.1047
0.1072 0.1072 2.8928 2.8928 2.9565 2.9565 2.9738 2.9738
5.3020 5.3020 8.5996 8.5996 8.6006 8.6006 12.3363 12.3365
k = 0.0656 0.0656 0.0656 ( 5656 PWs) bands (ev):
-47.2247 -47.2247 -47.2078 -47.2078 -47.2078 -47.2078 -19.3271 -19.3271
-19.3269 -19.3269 -19.2984 -19.2984 -19.1775 -19.1775 -19.1758 -19.1758
-19.1549 -19.1549 -19.0294 -19.0294 -18.9799 -18.9799 -18.9738 -18.9738
-11.7497 -11.7497 -11.4024 -11.4024 -0.0085 -0.0085 0.0990 0.0990
0.1019 0.1019 2.8722 2.8722 2.9509 2.9509 2.9690 2.9690
5.3569 5.3569 8.6226 8.6226 8.6239 8.6239 12.2863 12.2864
k = 0.0738 0.0738 0.0738 ( 5665 PWs) bands (ev):
-47.2246 -47.2246 -47.2078 -47.2078 -47.2078 -47.2078 -19.3270 -19.3270
-19.3268 -19.3268 -19.2984 -19.2984 -19.1777 -19.1777 -19.1755 -19.1755
-19.1550 -19.1550 -19.0298 -19.0298 -18.9812 -18.9812 -18.9737 -18.9737
-11.7459 -11.7459 -11.4013 -11.4013 -0.0145 -0.0145 0.0927 0.0927
0.0960 0.0960 2.8506 2.8506 2.9449 2.9449 2.9634 2.9634
5.4172 5.4172 8.6484 8.6484 8.6500 8.6500 12.2305 12.2305
k = 0.0820 0.0820 0.0820 ( 5659 PWs) bands (ev):
-47.2245 -47.2245 -47.2079 -47.2079 -47.2079 -47.2079 -19.3268 -19.3268
-19.3266 -19.3266 -19.2984 -19.2984 -19.1779 -19.1779 -19.1752 -19.1752
-19.1551 -19.1551 -19.0304 -19.0304 -18.9825 -18.9825 -18.9735 -18.9735
-11.7418 -11.7418 -11.4001 -11.4001 -0.0212 -0.0212 0.0858 0.0858
0.0892 0.0892 2.8287 2.8287 2.9384 2.9384 2.9573 2.9573
5.4822 5.4822 8.6767 8.6767 8.6788 8.6788 12.1504 12.1504
k = 0.0902 0.0902 0.0902 ( 5665 PWs) bands (ev):
-47.2243 -47.2243 -47.2080 -47.2080 -47.2080 -47.2080 -19.3267 -19.3267
-19.3264 -19.3264 -19.2984 -19.2984 -19.1782 -19.1782 -19.1748 -19.1748
-19.1551 -19.1551 -19.0312 -19.0312 -18.9838 -18.9838 -18.9733 -18.9733
-11.7373 -11.7373 -11.3987 -11.3987 -0.0285 -0.0285 0.0783 0.0783
0.0816 0.0816 2.8069 2.8069 2.9314 2.9314 2.9505 2.9505
5.5515 5.5515 8.7076 8.7076 8.7100 8.7100 12.0605 12.0605
k = 0.0984 0.0984 0.0984 ( 5677 PWs) bands (ev):
-47.2241 -47.2241 -47.2081 -47.2081 -47.2081 -47.2081 -19.3265 -19.3265
-19.3262 -19.3262 -19.2985 -19.2985 -19.1785 -19.1785 -19.1744 -19.1744
-19.1551 -19.1551 -19.0322 -19.0322 -18.9850 -18.9850 -18.9731 -18.9731
-11.7325 -11.7325 -11.3972 -11.3972 -0.0365 -0.0365 0.0702 0.0702
0.0733 0.0733 2.7857 2.7857 2.9239 2.9239 2.9432 2.9432
5.6248 5.6248 8.7408 8.7408 8.7437 8.7437 11.9633 11.9633
k = 0.1066 0.1066 0.1066 ( 5665 PWs) bands (ev):
-47.2239 -47.2239 -47.2082 -47.2082 -47.2082 -47.2082 -19.3263 -19.3263
-19.3260 -19.3260 -19.2984 -19.2984 -19.1789 -19.1789 -19.1739 -19.1739
-19.1551 -19.1551 -19.0334 -19.0334 -18.9862 -18.9862 -18.9729 -18.9729
-11.7274 -11.7274 -11.3954 -11.3954 -0.0450 -0.0450 0.0617 0.0617
0.0642 0.0642 2.7654 2.7654 2.9158 2.9158 2.9352 2.9352
5.7015 5.7015 8.7761 8.7761 8.7795 8.7795 11.8601 11.8601
k = 0.1148 0.1148 0.1148 ( 5671 PWs) bands (ev):
-47.2237 -47.2237 -47.2083 -47.2083 -47.2083 -47.2083 -19.3262 -19.3262
-19.3258 -19.3258 -19.2985 -19.2985 -19.1793 -19.1793 -19.1734 -19.1734
-19.1550 -19.1550 -19.0348 -19.0348 -18.9872 -18.9872 -18.9726 -18.9726
-11.7221 -11.7221 -11.3935 -11.3935 -0.0542 -0.0542 0.0527 0.0527
0.0543 0.0543 2.7464 2.7464 2.9072 2.9072 2.9267 2.9267
5.7814 5.7814 8.8135 8.8135 8.8174 8.8174 11.7522 11.7522
k = 0.1230 0.1230 0.1230 ( 5671 PWs) bands (ev):
-47.2235 -47.2235 -47.2084 -47.2084 -47.2084 -47.2084 -19.3261 -19.3261
-19.3257 -19.3257 -19.2985 -19.2985 -19.1798 -19.1798 -19.1728 -19.1728
-19.1549 -19.1549 -19.0365 -19.0365 -18.9881 -18.9881 -18.9723 -18.9723
-11.7166 -11.7166 -11.3913 -11.3913 -0.0639 -0.0639 0.0433 0.0433
0.0437 0.0437 2.7288 2.7288 2.8980 2.8980 2.9177 2.9177
5.8641 5.8641 8.8528 8.8528 8.8572 8.8572 11.6406 11.6406
k = 0.1311 0.1311 0.1311 ( 5683 PWs) bands (ev):
-47.2233 -47.2233 -47.2085 -47.2085 -47.2085 -47.2085 -19.3260 -19.3260
-19.3256 -19.3256 -19.2985 -19.2985 -19.1803 -19.1803 -19.1723 -19.1723
-19.1548 -19.1548 -19.0385 -19.0385 -18.9889 -18.9889 -18.9720 -18.9720
-11.7109 -11.7109 -11.3889 -11.3889 -0.0741 -0.0741 0.0324 0.0324
0.0335 0.0335 2.7129 2.7129 2.8883 2.8883 2.9080 2.9080
5.9494 5.9494 8.8937 8.8937 8.8987 8.8987 11.5263 11.5263
k = 0.1393 0.1393 0.1393 ( 5674 PWs) bands (ev):
-47.2231 -47.2231 -47.2086 -47.2086 -47.2086 -47.2086 -19.3258 -19.3258
-19.3254 -19.3254 -19.2984 -19.2984 -19.1809 -19.1809 -19.1716 -19.1716
-19.1546 -19.1546 -19.0408 -19.0408 -18.9894 -18.9894 -18.9717 -18.9717
-11.7051 -11.7051 -11.3862 -11.3862 -0.0848 -0.0848 0.0204 0.0204
0.0235 0.0235 2.6989 2.6989 2.8781 2.8781 2.8978 2.8978
6.0370 6.0370 8.9361 8.9361 8.9417 8.9417 11.4101 11.4101
k = 0.1475 0.1475 0.1475 ( 5683 PWs) bands (ev):
-47.2228 -47.2228 -47.2087 -47.2087 -47.2087 -47.2087 -19.3258 -19.3258
-19.3254 -19.3254 -19.2984 -19.2984 -19.1816 -19.1816 -19.1709 -19.1709
-19.1544 -19.1544 -19.0434 -19.0434 -18.9897 -18.9897 -18.9713 -18.9713
-11.6991 -11.6991 -11.3833 -11.3833 -0.0960 -0.0960 0.0079 0.0079
0.0132 0.0132 2.6867 2.6867 2.8673 2.8673 2.8871 2.8871
6.1268 6.1268 8.9797 8.9797 8.9860 8.9860 11.2929 11.2929
k = 0.1557 0.1557 0.1557 ( 5689 PWs) bands (ev):
-47.2226 -47.2226 -47.2088 -47.2088 -47.2088 -47.2088 -19.3258 -19.3258
-19.3253 -19.3253 -19.2984 -19.2984 -19.1824 -19.1824 -19.1701 -19.1701
-19.1542 -19.1542 -19.0463 -19.0463 -18.9899 -18.9899 -18.9709 -18.9709
-11.6932 -11.6932 -11.3801 -11.3801 -0.1076 -0.1076 -0.0050 -0.0050
0.0027 0.0027 2.6764 2.6764 2.8561 2.8561 2.8759 2.8759
6.2184 6.2184 9.0245 9.0245 9.0315 9.0315 11.1752 11.1752
k = 0.1639 0.1639 0.1639 ( 5677 PWs) bands (ev):
-47.2223 -47.2223 -47.2089 -47.2089 -47.2089 -47.2089 -19.3257 -19.3257
-19.3253 -19.3253 -19.2983 -19.2983 -19.1832 -19.1832 -19.1692 -19.1692
-19.1538 -19.1538 -19.0494 -19.0494 -18.9898 -18.9898 -18.9705 -18.9705
-11.6872 -11.6872 -11.3767 -11.3767 -0.1196 -0.1196 -0.0184 -0.0184
-0.0080 -0.0080 2.6680 2.6680 2.8443 2.8443 2.8642 2.8642
6.3118 6.3118 9.0702 9.0702 9.0779 9.0779 11.0580 11.0580
k = 0.1721 0.1721 0.1721 ( 5677 PWs) bands (ev):
-47.2221 -47.2221 -47.2091 -47.2091 -47.2091 -47.2091 -19.3257 -19.3257
-19.3253 -19.3253 -19.2983 -19.2983 -19.1840 -19.1840 -19.1684 -19.1684
-19.1534 -19.1534 -19.0527 -19.0527 -18.9895 -18.9895 -18.9701 -18.9701
-11.6813 -11.6813 -11.3729 -11.3729 -0.1320 -0.1320 -0.0320 -0.0320
-0.0188 -0.0188 2.6614 2.6614 2.8321 2.8321 2.8520 2.8520
6.4068 6.4068 9.1166 9.1166 9.1250 9.1250 10.9416 10.9416
k = 0.1803 0.1803 0.1803 ( 5686 PWs) bands (ev):
-47.2218 -47.2218 -47.2092 -47.2092 -47.2092 -47.2092 -19.3258 -19.3258
-19.3254 -19.3254 -19.2982 -19.2982 -19.1850 -19.1850 -19.1675 -19.1675
-19.1530 -19.1530 -19.0563 -19.0563 -18.9891 -18.9891 -18.9696 -18.9696
-11.6754 -11.6754 -11.3689 -11.3689 -0.1447 -0.1447 -0.0457 -0.0457
-0.0296 -0.0296 2.6565 2.6565 2.8195 2.8195 2.8393 2.8393
6.5033 6.5033 9.1635 9.1635 9.1727 9.1727 10.8268 10.8268
k = 0.1885 0.1885 0.1885 ( 5680 PWs) bands (ev):
-47.2215 -47.2215 -47.2094 -47.2094 -47.2094 -47.2094 -19.3258 -19.3258
-19.3255 -19.3255 -19.2982 -19.2982 -19.1859 -19.1859 -19.1665 -19.1665
-19.1525 -19.1525 -19.0599 -19.0599 -18.9884 -18.9884 -18.9691 -18.9691
-11.6696 -11.6696 -11.3645 -11.3645 -0.1578 -0.1578 -0.0595 -0.0595
-0.0404 -0.0404 2.6532 2.6532 2.8064 2.8064 2.8261 2.8261
6.6011 6.6011 9.2108 9.2108 9.2206 9.2206 10.7141 10.7141
k = 0.1967 0.1967 0.1967 ( 5689 PWs) bands (ev):
-47.2212 -47.2212 -47.2095 -47.2095 -47.2095 -47.2095 -19.3260 -19.3260
-19.3256 -19.3256 -19.2982 -19.2982 -19.1869 -19.1869 -19.1656 -19.1656
-19.1521 -19.1521 -19.0638 -19.0638 -18.9877 -18.9877 -18.9686 -18.9686
-11.6639 -11.6639 -11.3599 -11.3599 -0.1710 -0.1710 -0.0732 -0.0732
-0.0512 -0.0512 2.6512 2.6512 2.7929 2.7929 2.8126 2.8126
6.7002 6.7002 9.2582 9.2582 9.2688 9.2688 10.6040 10.6040
k = 0.2049 0.2049 0.2049 ( 5689 PWs) bands (ev):
-47.2209 -47.2209 -47.2096 -47.2096 -47.2096 -47.2096 -19.3261 -19.3261
-19.3258 -19.3258 -19.2982 -19.2982 -19.1880 -19.1880 -19.1646 -19.1646
-19.1515 -19.1515 -19.0678 -19.0678 -18.9868 -18.9868 -18.9681 -18.9681
-11.6584 -11.6584 -11.3550 -11.3550 -0.1844 -0.1844 -0.0867 -0.0867
-0.0619 -0.0619 2.6504 2.6504 2.7789 2.7789 2.7986 2.7986
6.8004 6.8004 9.3055 9.3055 9.3168 9.3168 10.4970 10.4970
k = 0.2131 0.2131 0.2131 ( 5677 PWs) bands (ev):
-47.2206 -47.2206 -47.2098 -47.2098 -47.2098 -47.2098 -19.3263 -19.3263
-19.3260 -19.3260 -19.2982 -19.2982 -19.1890 -19.1890 -19.1635 -19.1635
-19.1509 -19.1509 -19.0718 -19.0718 -18.9858 -18.9858 -18.9675 -18.9675
-11.6530 -11.6530 -11.3497 -11.3497 -0.1979 -0.1979 -0.1000 -0.1000
-0.0725 -0.0725 2.6506 2.6506 2.7647 2.7647 2.7842 2.7842
6.9017 6.9017 9.3525 9.3525 9.3647 9.3647 10.3935 10.3935
k = 0.2213 0.2213 0.2213 ( 5671 PWs) bands (ev):
-47.2203 -47.2203 -47.2099 -47.2099 -47.2099 -47.2099 -19.3265 -19.3265
-19.3263 -19.3263 -19.2982 -19.2982 -19.1901 -19.1901 -19.1624 -19.1624
-19.1503 -19.1503 -19.0759 -19.0759 -18.9847 -18.9847 -18.9669 -18.9669
-11.6478 -11.6478 -11.3442 -11.3442 -0.2115 -0.2115 -0.1128 -0.1128
-0.0830 -0.0830 2.6515 2.6515 2.7501 2.7501 2.7694 2.7694
7.0040 7.0040 9.3990 9.3990 9.4120 9.4120 10.2940 10.2940
k = 0.2295 0.2295 0.2295 ( 5674 PWs) bands (ev):
-47.2200 -47.2200 -47.2101 -47.2101 -47.2101 -47.2101 -19.3268 -19.3268
-19.3266 -19.3266 -19.2983 -19.2983 -19.1913 -19.1913 -19.1613 -19.1613
-19.1497 -19.1497 -19.0800 -19.0800 -18.9836 -18.9836 -18.9662 -18.9662
-11.6429 -11.6429 -11.3384 -11.3384 -0.2249 -0.2249 -0.1253 -0.1253
-0.0932 -0.0932 2.6528 2.6528 2.7352 2.7352 2.7543 2.7543
7.1071 7.1071 9.4449 9.4449 9.4587 9.4587 10.1990 10.1990
k = 0.2377 0.2377 0.2377 ( 5668 PWs) bands (ev):
-47.2197 -47.2197 -47.2102 -47.2102 -47.2102 -47.2102 -19.3271 -19.3271
-19.3269 -19.3269 -19.2984 -19.2984 -19.1925 -19.1925 -19.1601 -19.1601
-19.1491 -19.1491 -19.0841 -19.0841 -18.9823 -18.9823 -18.9656 -18.9656
-11.6382 -11.6382 -11.3324 -11.3324 -0.2381 -0.2381 -0.1373 -0.1373
-0.1033 -0.1033 2.6542 2.6542 2.7200 2.7200 2.7389 2.7389
7.2110 7.2110 9.4899 9.4899 9.5045 9.5045 10.1088 10.1088
k = 0.2459 0.2459 0.2459 ( 5674 PWs) bands (ev):
-47.2194 -47.2194 -47.2104 -47.2104 -47.2104 -47.2104 -19.3274 -19.3274
-19.3273 -19.3273 -19.2985 -19.2985 -19.1937 -19.1937 -19.1589 -19.1589
-19.1484 -19.1484 -19.0883 -19.0883 -18.9810 -18.9810 -18.9649 -18.9649
-11.6337 -11.6337 -11.3261 -11.3261 -0.2509 -0.2509 -0.1488 -0.1488
-0.1130 -0.1130 2.6555 2.6555 2.7048 2.7048 2.7231 2.7231
7.3156 7.3156 9.5338 9.5338 9.5491 9.5491 10.0239 10.0239
k = 0.2541 0.2541 0.2541 ( 5674 PWs) bands (ev):
-47.2191 -47.2191 -47.2105 -47.2105 -47.2105 -47.2105 -19.3278 -19.3278
-19.3277 -19.3277 -19.2987 -19.2987 -19.1949 -19.1949 -19.1577 -19.1577
-19.1477 -19.1477 -19.0924 -19.0924 -18.9796 -18.9796 -18.9642 -18.9642
-11.6294 -11.6294 -11.3197 -11.3197 -0.2634 -0.2634 -0.1598 -0.1598
-0.1225 -0.1225 2.6561 2.6561 2.6897 2.6897 2.7071 2.7071
7.4208 7.4208 9.5764 9.5764 9.5924 9.5924 9.9445 9.9445
k = 0.2623 0.2623 0.2623 ( 5680 PWs) bands (ev):
-47.2188 -47.2188 -47.2107 -47.2107 -47.2107 -47.2107 -19.3282 -19.3282
-19.3281 -19.3281 -19.2990 -19.2990 -19.1961 -19.1961 -19.1565 -19.1565
-19.1471 -19.1471 -19.0964 -19.0964 -18.9782 -18.9782 -18.9635 -18.9635
-11.6254 -11.6254 -11.3130 -11.3130 -0.2753 -0.2753 -0.1702 -0.1702
-0.1317 -0.1317 2.6548 2.6548 2.6758 2.6758 2.6909 2.6909
7.5265 7.5265 9.6173 9.6173 9.6341 9.6341 9.8712 9.8712
k = 0.2705 0.2705 0.2705 ( 5686 PWs) bands (ev):
-47.2185 -47.2185 -47.2108 -47.2108 -47.2108 -47.2108 -19.3287 -19.3287
-19.3286 -19.3286 -19.2993 -19.2993 -19.1974 -19.1974 -19.1553 -19.1553
-19.1464 -19.1464 -19.1004 -19.1004 -18.9767 -18.9767 -18.9628 -18.9628
-11.6217 -11.6217 -11.3063 -11.3063 -0.2866 -0.2866 -0.1801 -0.1801
-0.1405 -0.1405 2.6482 2.6482 2.6662 2.6662 2.6745 2.6745
7.6325 7.6325 9.6563 9.6563 9.6737 9.6737 9.8041 9.8041
k = 0.2787 0.2787 0.2787 ( 5695 PWs) bands (ev):
-47.2182 -47.2182 -47.2110 -47.2110 -47.2110 -47.2110 -19.3292 -19.3292
-19.3291 -19.3291 -19.2997 -19.2997 -19.1987 -19.1987 -19.1541 -19.1541
-19.1458 -19.1458 -19.1043 -19.1043 -18.9753 -18.9753 -18.9621 -18.9621
-11.6181 -11.6181 -11.2994 -11.2994 -0.2971 -0.2971 -0.1894 -0.1894
-0.1490 -0.1490 2.6352 2.6352 2.6579 2.6579 2.6619 2.6619
7.7388 7.7388 9.6928 9.6928 9.7108 9.7108 9.7438 9.7438
k = 0.2869 0.2869 0.2869 ( 5695 PWs) bands (ev):
-47.2179 -47.2179 -47.2111 -47.2111 -47.2111 -47.2111 -19.3297 -19.3297
-19.3296 -19.3296 -19.3001 -19.3001 -19.1999 -19.1999 -19.1529 -19.1529
-19.1451 -19.1451 -19.1080 -19.1080 -18.9737 -18.9737 -18.9613 -18.9613
-11.6148 -11.6148 -11.2924 -11.2924 -0.3069 -0.3069 -0.1981 -0.1981
-0.1571 -0.1571 2.6199 2.6199 2.6413 2.6413 2.6588 2.6588
7.8451 7.8451 9.6901 9.6901 9.7267 9.7267 9.7449 9.7449
k = 0.2951 0.2951 0.2951 ( 5704 PWs) bands (ev):
-47.2176 -47.2176 -47.2112 -47.2112 -47.2112 -47.2112 -19.3302 -19.3302
-19.3302 -19.3302 -19.3007 -19.3007 -19.2011 -19.2011 -19.1517 -19.1517
-19.1444 -19.1444 -19.1117 -19.1117 -18.9722 -18.9722 -18.9606 -18.9606
-11.6117 -11.6117 -11.2854 -11.2854 -0.3157 -0.3157 -0.2063 -0.2063
-0.1649 -0.1649 2.6038 2.6038 2.6246 2.6246 2.6551 2.6551
7.9512 7.9512 9.6439 9.6439 9.7567 9.7567 9.7752 9.7752
k = 0.3033 0.3033 0.3033 ( 5704 PWs) bands (ev):
-47.2173 -47.2173 -47.2114 -47.2114 -47.2114 -47.2114 -19.3308 -19.3308
-19.3307 -19.3307 -19.3012 -19.3012 -19.2024 -19.2024 -19.1505 -19.1505
-19.1437 -19.1437 -19.1152 -19.1152 -18.9707 -18.9707 -18.9598 -18.9598
-11.6088 -11.6088 -11.2784 -11.2784 -0.3237 -0.3237 -0.2139 -0.2139
-0.1722 -0.1722 2.5875 2.5875 2.6079 2.6079 2.6502 2.6502
8.0570 8.0570 9.6052 9.6052 9.7822 9.7822 9.8007 9.8007
k = 0.3115 0.3115 0.3115 ( 5698 PWs) bands (ev):
-47.2170 -47.2170 -47.2115 -47.2115 -47.2115 -47.2115 -19.3313 -19.3313
-19.3313 -19.3313 -19.3018 -19.3018 -19.2035 -19.2035 -19.1493 -19.1493
-19.1431 -19.1431 -19.1185 -19.1185 -18.9691 -18.9691 -18.9590 -18.9590
-11.6062 -11.6062 -11.2714 -11.2714 -0.3307 -0.3307 -0.2209 -0.2209
-0.1792 -0.1792 2.5711 2.5711 2.5912 2.5912 2.6439 2.6439
8.1621 8.1621 9.5742 9.5742 9.8022 9.8022 9.8203 9.8203
k = 0.3197 0.3197 0.3197 ( 5710 PWs) bands (ev):
-47.2167 -47.2167 -47.2117 -47.2117 -47.2117 -47.2117 -19.3320 -19.3320
-19.3319 -19.3319 -19.3025 -19.3025 -19.2048 -19.2048 -19.1482 -19.1482
-19.1424 -19.1424 -19.1217 -19.1217 -18.9676 -18.9676 -18.9582 -18.9582
-11.6037 -11.6037 -11.2645 -11.2645 -0.3367 -0.3367 -0.2273 -0.2273
-0.1858 -0.1858 2.5548 2.5548 2.5746 2.5746 2.6360 2.6360
8.2662 8.2662 9.5514 9.5514 9.8155 9.8155 9.8327 9.8327
k = 0.3279 0.3279 0.3279 ( 5704 PWs) bands (ev):
-47.2164 -47.2164 -47.2118 -47.2118 -47.2118 -47.2118 -19.3325 -19.3325
-19.3324 -19.3324 -19.3032 -19.3032 -19.2059 -19.2059 -19.1470 -19.1470
-19.1418 -19.1418 -19.1246 -19.1246 -18.9661 -18.9661 -18.9574 -18.9574
-11.6014 -11.6014 -11.2576 -11.2576 -0.3418 -0.3418 -0.2331 -0.2331
-0.1919 -0.1919 2.5386 2.5386 2.5581 2.5581 2.6266 2.6266
8.3688 8.3688 9.5368 9.5368 9.8212 9.8212 9.8371 9.8371
k = 0.3361 0.3361 0.3361 ( 5716 PWs) bands (ev):
-47.2162 -47.2162 -47.2119 -47.2119 -47.2119 -47.2119 -19.3331 -19.3331
-19.3330 -19.3330 -19.3040 -19.3040 -19.2071 -19.2071 -19.1460 -19.1460
-19.1412 -19.1412 -19.1275 -19.1275 -18.9646 -18.9646 -18.9567 -18.9567
-11.5992 -11.5992 -11.2509 -11.2509 -0.3460 -0.3460 -0.2384 -0.2384
-0.1977 -0.1977 2.5225 2.5225 2.5419 2.5419 2.6156 2.6156
8.4693 8.4693 9.5310 9.5310 9.8191 9.8191 9.8334 9.8334
k = 0.3443 0.3443 0.3443 ( 5716 PWs) bands (ev):
-47.2159 -47.2159 -47.2121 -47.2121 -47.2121 -47.2121 -19.3337 -19.3337
-19.3335 -19.3335 -19.3049 -19.3049 -19.2082 -19.2082 -19.1449 -19.1449
-19.1407 -19.1407 -19.1301 -19.1301 -18.9631 -18.9631 -18.9559 -18.9559
-11.5973 -11.5973 -11.2443 -11.2443 -0.3492 -0.3492 -0.2430 -0.2430
-0.2030 -0.2030 2.5067 2.5067 2.5259 2.5259 2.6031 2.6031
8.5673 8.5673 9.5341 9.5341 9.8097 9.8097 9.8223 9.8223
k = 0.3525 0.3525 0.3525 ( 5722 PWs) bands (ev):
-47.2157 -47.2157 -47.2122 -47.2122 -47.2122 -47.2122 -19.3343 -19.3343
-19.3341 -19.3341 -19.3058 -19.3058 -19.2093 -19.2093 -19.1439 -19.1439
-19.1402 -19.1402 -19.1325 -19.1325 -18.9617 -18.9617 -18.9552 -18.9552
-11.5954 -11.5954 -11.2380 -11.2380 -0.3516 -0.3516 -0.2470 -0.2470
-0.2080 -0.2080 2.4912 2.4912 2.5103 2.5103 2.5892 2.5892
8.6620 8.6620 9.5465 9.5465 9.7945 9.7945 9.8056 9.8056
k = 0.3607 0.3607 0.3607 ( 5722 PWs) bands (ev):
-47.2155 -47.2155 -47.2123 -47.2123 -47.2123 -47.2123 -19.3349 -19.3349
-19.3347 -19.3347 -19.3067 -19.3067 -19.2103 -19.2103 -19.1428 -19.1428
-19.1398 -19.1398 -19.1346 -19.1346 -18.9603 -18.9603 -18.9544 -18.9544
-11.5937 -11.5937 -11.2318 -11.2318 -0.3532 -0.3532 -0.2504 -0.2504
-0.2126 -0.2126 2.4761 2.4761 2.4950 2.4950 2.5739 2.5739
8.7525 8.7525 9.5685 9.5685 9.7752 9.7752 9.7850 9.7850
k = 0.3689 0.3689 0.3689 ( 5716 PWs) bands (ev):
-47.2152 -47.2152 -47.2124 -47.2124 -47.2124 -47.2124 -19.3354 -19.3354
-19.3352 -19.3352 -19.3076 -19.3076 -19.2113 -19.2113 -19.1419 -19.1419
-19.1398 -19.1398 -19.1362 -19.1362 -18.9589 -18.9589 -18.9537 -18.9537
-11.5922 -11.5922 -11.2258 -11.2258 -0.3542 -0.3542 -0.2532 -0.2532
-0.2168 -0.2168 2.4615 2.4615 2.4802 2.4802 2.5576 2.5576
8.8383 8.8383 9.6003 9.6003 9.7532 9.7532 9.7621 9.7621
k = 0.3770 0.3770 0.3770 ( 5722 PWs) bands (ev):
-47.2150 -47.2150 -47.2125 -47.2125 -47.2125 -47.2125 -19.3360 -19.3360
-19.3358 -19.3358 -19.3085 -19.3085 -19.2122 -19.2122 -19.1410 -19.1410
-19.1405 -19.1405 -19.1370 -19.1370 -18.9576 -18.9576 -18.9530 -18.9530
-11.5908 -11.5908 -11.2202 -11.2202 -0.3545 -0.3545 -0.2554 -0.2554
-0.2206 -0.2206 2.4473 2.4473 2.4659 2.4659 2.5404 2.5404
8.9186 8.9186 9.6417 9.6417 9.7301 9.7301 9.7381 9.7381
k = 0.3852 0.3852 0.3852 ( 5710 PWs) bands (ev):
-47.2148 -47.2148 -47.2126 -47.2126 -47.2126 -47.2126 -19.3365 -19.3365
-19.3363 -19.3363 -19.3094 -19.3094 -19.2131 -19.2131 -19.1418 -19.1418
-19.1400 -19.1400 -19.1369 -19.1369 -18.9563 -18.9563 -18.9523 -18.9523
-11.5895 -11.5895 -11.2148 -11.2148 -0.3543 -0.3543 -0.2570 -0.2570
-0.2241 -0.2241 2.4336 2.4336 2.4522 2.4522 2.5224 2.5224
8.9932 8.9932 9.6919 9.6919 9.7071 9.7071 9.7139 9.7139
k = 0.3934 0.3934 0.3934 ( 5709 PWs) bands (ev):
-47.2146 -47.2146 -47.2127 -47.2127 -47.2127 -47.2127 -19.3370 -19.3370
-19.3368 -19.3368 -19.3103 -19.3103 -19.2139 -19.2139 -19.1433 -19.1433
-19.1392 -19.1392 -19.1367 -19.1367 -18.9552 -18.9552 -18.9516 -18.9516
-11.5883 -11.5883 -11.2096 -11.2096 -0.3538 -0.3538 -0.2579 -0.2579
-0.2273 -0.2273 2.4206 2.4206 2.4391 2.4391 2.5041 2.5041
9.0620 9.0620 9.6829 9.6829 9.6902 9.6902 9.7520 9.7520
k = 0.4016 0.4016 0.4016 ( 5715 PWs) bands (ev):
-47.2144 -47.2144 -47.2128 -47.2128 -47.2128 -47.2128 -19.3375 -19.3375
-19.3373 -19.3373 -19.3112 -19.3112 -19.2147 -19.2147 -19.1447 -19.1447
-19.1385 -19.1385 -19.1364 -19.1364 -18.9541 -18.9541 -18.9510 -18.9510
-11.5872 -11.5872 -11.2049 -11.2049 -0.3530 -0.3530 -0.2582 -0.2582
-0.2301 -0.2301 2.4082 2.4082 2.4267 2.4267 2.4855 2.4855
9.1252 9.1252 9.6605 9.6605 9.6674 9.6674 9.8182 9.8182
k = 0.4098 0.4098 0.4098 ( 5709 PWs) bands (ev):
-47.2142 -47.2142 -47.2129 -47.2129 -47.2129 -47.2129 -19.3379 -19.3379
-19.3377 -19.3377 -19.3121 -19.3121 -19.2155 -19.2155 -19.1460 -19.1460
-19.1378 -19.1378 -19.1360 -19.1360 -18.9530 -18.9530 -18.9504 -18.9504
-11.5862 -11.5862 -11.2004 -11.2004 -0.3520 -0.3520 -0.2580 -0.2580
-0.2326 -0.2326 2.3966 2.3966 2.4151 2.4151 2.4670 2.4670
9.1834 9.1834 9.6392 9.6392 9.6458 9.6458 9.8898 9.8898
k = 0.4180 0.4180 0.4180 ( 5697 PWs) bands (ev):
-47.2141 -47.2141 -47.2129 -47.2129 -47.2129 -47.2129 -19.3383 -19.3383
-19.3381 -19.3381 -19.3129 -19.3129 -19.2161 -19.2161 -19.1472 -19.1472
-19.1371 -19.1371 -19.1356 -19.1356 -18.9520 -18.9520 -18.9499 -18.9499
-11.5853 -11.5853 -11.1963 -11.1963 -0.3510 -0.3510 -0.2573 -0.2573
-0.2349 -0.2349 2.3857 2.3857 2.4043 2.4043 2.4490 2.4490
9.2371 9.2371 9.6194 9.6194 9.6257 9.6257 9.9650 9.9650
k = 0.4262 0.4262 0.4262 ( 5697 PWs) bands (ev):
-47.2139 -47.2139 -47.2130 -47.2130 -47.2130 -47.2130 -19.3387 -19.3387
-19.3386 -19.3386 -19.3136 -19.3136 -19.2167 -19.2167 -19.1482 -19.1482
-19.1365 -19.1365 -19.1352 -19.1352 -18.9511 -18.9511 -18.9494 -18.9494
-11.5845 -11.5845 -11.1925 -11.1925 -0.3499 -0.3499 -0.2562 -0.2562
-0.2368 -0.2368 2.3755 2.3755 2.3943 2.3943 2.4317 2.4317
9.2866 9.2866 9.6010 9.6010 9.6072 9.6072 10.0418 10.0418
k = 0.4344 0.4344 0.4344 ( 5697 PWs) bands (ev):
-47.2138 -47.2138 -47.2131 -47.2131 -47.2131 -47.2131 -19.3391 -19.3391
-19.3389 -19.3389 -19.3143 -19.3143 -19.2173 -19.2173 -19.1492 -19.1492
-19.1359 -19.1359 -19.1349 -19.1349 -18.9502 -18.9502 -18.9489 -18.9489
-11.5838 -11.5838 -11.1891 -11.1891 -0.3489 -0.3489 -0.2548 -0.2548
-0.2386 -0.2386 2.3662 2.3662 2.3852 2.3852 2.4154 2.4154
9.3321 9.3321 9.5844 9.5844 9.5905 9.5905 10.1181 10.1181
k = 0.4426 0.4426 0.4426 ( 5700 PWs) bands (ev):
-47.2137 -47.2137 -47.2131 -47.2131 -47.2131 -47.2131 -19.3394 -19.3394
-19.3393 -19.3393 -19.3150 -19.3150 -19.2178 -19.2178 -19.1500 -19.1500
-19.1354 -19.1354 -19.1347 -19.1347 -18.9495 -18.9495 -18.9485 -18.9485
-11.5832 -11.5832 -11.1861 -11.1861 -0.3480 -0.3480 -0.2531 -0.2531
-0.2400 -0.2400 2.3577 2.3577 2.3771 2.3771 2.4005 2.4005
9.3736 9.3736 9.5696 9.5696 9.5756 9.5756 10.1922 10.1922
k = 0.4508 0.4508 0.4508 ( 5706 PWs) bands (ev):
-47.2136 -47.2136 -47.2132 -47.2132 -47.2132 -47.2132 -19.3397 -19.3397
-19.3396 -19.3396 -19.3156 -19.3156 -19.2183 -19.2183 -19.1507 -19.1507
-19.1350 -19.1350 -19.1345 -19.1345 -18.9489 -18.9489 -18.9481 -18.9481
-11.5827 -11.5827 -11.1835 -11.1835 -0.3472 -0.3472 -0.2513 -0.2513
-0.2413 -0.2413 2.3500 2.3500 2.3700 2.3700 2.3871 2.3871
9.4109 9.4109 9.5567 9.5567 9.5626 9.5626 10.2618 10.2618
k = 0.4590 0.4590 0.4590 ( 5706 PWs) bands (ev):
-47.2135 -47.2135 -47.2132 -47.2132 -47.2132 -47.2132 -19.3399 -19.3399
-19.3399 -19.3399 -19.3161 -19.3161 -19.2187 -19.2187 -19.1513 -19.1513
-19.1347 -19.1347 -19.1343 -19.1343 -18.9484 -18.9484 -18.9478 -18.9478
-11.5823 -11.5823 -11.1812 -11.1812 -0.3465 -0.3465 -0.2495 -0.2495
-0.2423 -0.2423 2.3432 2.3432 2.3639 2.3639 2.3756 2.3756
9.4436 9.4436 9.5458 9.5458 9.5515 9.5515 10.3250 10.3250
k = 0.4672 0.4672 0.4672 ( 5706 PWs) bands (ev):
-47.2134 -47.2134 -47.2132 -47.2132 -47.2132 -47.2132 -19.3401 -19.3401
-19.3401 -19.3401 -19.3165 -19.3165 -19.2190 -19.2190 -19.1518 -19.1518
-19.1344 -19.1344 -19.1341 -19.1341 -18.9479 -18.9479 -18.9476 -18.9476
-11.5819 -11.5819 -11.1794 -11.1794 -0.3460 -0.3460 -0.2479 -0.2479
-0.2431 -0.2431 2.3373 2.3373 2.3589 2.3589 2.3662 2.3662
9.4712 9.4712 9.5368 9.5368 9.5424 9.5424 10.3792 10.3792
k = 0.4754 0.4754 0.4754 ( 5706 PWs) bands (ev):
-47.2134 -47.2134 -47.2133 -47.2133 -47.2133 -47.2133 -19.3403 -19.3403
-19.3403 -19.3403 -19.3168 -19.3168 -19.2192 -19.2192 -19.1521 -19.1521
-19.1341 -19.1341 -19.1340 -19.1340 -18.9476 -18.9476 -18.9474 -18.9474
-11.5816 -11.5816 -11.1780 -11.1780 -0.3456 -0.3456 -0.2465 -0.2465
-0.2438 -0.2438 2.3325 2.3325 2.3549 2.3549 2.3589 2.3589
9.4933 9.4933 9.5299 9.5299 9.5353 9.5353 10.4216 10.4216
k = 0.4836 0.4836 0.4836 ( 5691 PWs) bands (ev):
-47.2133 -47.2133 -47.2133 -47.2133 -47.2133 -47.2133 -19.3404 -19.3404
-19.3403 -19.3403 -19.3170 -19.3170 -19.2193 -19.2193 -19.1523 -19.1523
-19.1340 -19.1340 -19.1338 -19.1338 -18.9473 -18.9473 -18.9472 -18.9472
-11.5814 -11.5814 -11.1769 -11.1769 -0.3453 -0.3453 -0.2455 -0.2455
-0.2442 -0.2442 2.3288 2.3288 2.3521 2.3521 2.3538 2.3538
9.5089 9.5089 9.5255 9.5255 9.5303 9.5303 10.4484 10.4484
k = 0.4918 0.4918 0.4918 ( 5637 PWs) bands (ev):
-47.2133 -47.2133 -47.2132 -47.2132 -47.2132 -47.2132 -19.3403 -19.3403
-19.3403 -19.3403 -19.3170 -19.3170 -19.2193 -19.2193 -19.1523 -19.1523
-19.1337 -19.1337 -19.1336 -19.1336 -18.9470 -18.9470 -18.9469 -18.9469
-11.5813 -11.5813 -11.1763 -11.1763 -0.3451 -0.3451 -0.2448 -0.2448
-0.2445 -0.2445 2.3266 2.3266 2.3505 2.3505 2.3509 2.3509
9.5165 9.5165 9.5249 9.5249 9.5272 9.5272 10.4605 10.4605
k = 0.5000 0.5000 0.5000 ( 5616 PWs) bands (ev):
-47.2132 -47.2132 -47.2132 -47.2132 -47.2132 -47.2132 -19.3403 -19.3403
-19.3403 -19.3403 -19.3170 -19.3170 -19.2192 -19.2192 -19.1523 -19.1523
-19.1336 -19.1336 -19.1336 -19.1336 -18.9469 -18.9469 -18.9469 -18.9469
-11.5813 -11.5813 -11.1761 -11.1761 -0.3451 -0.3451 -0.2446 -0.2446
-0.2446 -0.2446 2.3258 2.3258 2.3499 2.3499 2.3499 2.3499
9.5175 9.5175 9.5262 9.5262 9.5262 9.5262 10.4637 10.4637
k = 0.5000 0.5000 0.5000 ( 5616 PWs) bands (ev):
-47.2132 -47.2132 -47.2132 -47.2132 -47.2132 -47.2132 -19.3403 -19.3403
-19.3403 -19.3403 -19.3170 -19.3170 -19.2192 -19.2192 -19.1523 -19.1523
-19.1336 -19.1336 -19.1336 -19.1336 -18.9469 -18.9469 -18.9469 -18.9469
-11.5813 -11.5813 -11.1761 -11.1761 -0.3451 -0.3451 -0.2446 -0.2446
-0.2446 -0.2446 2.3258 2.3258 2.3499 2.3499 2.3499 2.3499
9.5175 9.5175 9.5262 9.5262 9.5262 9.5262 10.4637 10.4637
k = 0.4900 0.5000 0.4900 ( 5644 PWs) bands (ev):
-47.2133 -47.2133 -47.2133 -47.2133 -47.2132 -47.2132 -19.3403 -19.3403
-19.3403 -19.3403 -19.3170 -19.3170 -19.2193 -19.2193 -19.1524 -19.1524
-19.1337 -19.1337 -19.1336 -19.1336 -18.9470 -18.9470 -18.9469 -18.9469
-11.5813 -11.5813 -11.1763 -11.1763 -0.3451 -0.3451 -0.2449 -0.2449
-0.2444 -0.2444 2.3266 2.3266 2.3505 2.3505 2.3508 2.3508
9.5165 9.5165 9.5248 9.5248 9.5273 9.5273 10.4604 10.4605
k = 0.4800 0.5000 0.4800 ( 5680 PWs) bands (ev):
-47.2133 -47.2133 -47.2133 -47.2133 -47.2133 -47.2133 -19.3404 -19.3404
-19.3403 -19.3403 -19.3170 -19.3170 -19.2193 -19.2193 -19.1523 -19.1523
-19.1339 -19.1339 -19.1338 -19.1338 -18.9473 -18.9473 -18.9471 -18.9471
-11.5814 -11.5814 -11.1769 -11.1769 -0.3453 -0.3453 -0.2459 -0.2459
-0.2438 -0.2438 2.3288 2.3288 2.3522 2.3522 2.3537 2.3537
9.5086 9.5086 9.5256 9.5256 9.5306 9.5306 10.4474 10.4474
k = 0.4700 0.5000 0.4700 ( 5690 PWs) bands (ev):
-47.2133 -47.2133 -47.2133 -47.2133 -47.2132 -47.2132 -19.3403 -19.3403
-19.3402 -19.3402 -19.3168 -19.3168 -19.2192 -19.2192 -19.1521 -19.1521
-19.1341 -19.1341 -19.1339 -19.1339 -18.9476 -18.9476 -18.9472 -18.9472
-11.5816 -11.5816 -11.1779 -11.1779 -0.3457 -0.3457 -0.2475 -0.2475
-0.2427 -0.2427 2.3325 2.3325 2.3551 2.3551 2.3587 2.3587
9.4924 9.4924 9.5299 9.5299 9.5364 9.5364 10.4177 10.4177
k = 0.4600 0.5000 0.4600 ( 5706 PWs) bands (ev):
-47.2134 -47.2134 -47.2133 -47.2133 -47.2132 -47.2132 -19.3403 -19.3403
-19.3400 -19.3400 -19.3165 -19.3165 -19.2190 -19.2190 -19.1518 -19.1518
-19.1344 -19.1344 -19.1341 -19.1341 -18.9481 -18.9481 -18.9474 -18.9474
-11.5819 -11.5819 -11.1794 -11.1794 -0.3462 -0.3462 -0.2497 -0.2497
-0.2411 -0.2411 2.3374 2.3374 2.3592 2.3592 2.3657 2.3657
9.4697 9.4697 9.5363 9.5363 9.5446 9.5446 10.3716 10.3716
k = 0.4500 0.5000 0.4500 ( 5714 PWs) bands (ev):
-47.2135 -47.2135 -47.2133 -47.2133 -47.2132 -47.2132 -19.3401 -19.3401
-19.3398 -19.3398 -19.3161 -19.3161 -19.2187 -19.2187 -19.1513 -19.1513
-19.1347 -19.1347 -19.1342 -19.1342 -18.9486 -18.9486 -18.9476 -18.9476
-11.5822 -11.5822 -11.1812 -11.1812 -0.3471 -0.3471 -0.2523 -0.2523
-0.2390 -0.2390 2.3433 2.3433 2.3643 2.3643 2.3748 2.3748
9.4413 9.4413 9.5444 9.5444 9.5553 9.5553 10.3129 10.3129
k = 0.4400 0.5000 0.4400 ( 5706 PWs) bands (ev):
-47.2135 -47.2135 -47.2133 -47.2133 -47.2131 -47.2131 -19.3399 -19.3399
-19.3394 -19.3394 -19.3156 -19.3156 -19.2183 -19.2183 -19.1507 -19.1507
-19.1351 -19.1351 -19.1344 -19.1344 -18.9493 -18.9493 -18.9478 -18.9478
-11.5827 -11.5827 -11.1834 -11.1834 -0.3484 -0.3484 -0.2552 -0.2552
-0.2363 -0.2363 2.3500 2.3500 2.3706 2.3706 2.3860 2.3860
9.4081 9.4081 9.5542 9.5542 9.5681 9.5681 10.2448 10.2448
k = 0.4300 0.5000 0.4300 ( 5706 PWs) bands (ev):
-47.2136 -47.2136 -47.2133 -47.2133 -47.2130 -47.2130 -19.3397 -19.3397
-19.3390 -19.3390 -19.3150 -19.3150 -19.2179 -19.2179 -19.1500 -19.1500
-19.1355 -19.1355 -19.1346 -19.1346 -18.9500 -18.9500 -18.9480 -18.9480
-11.5832 -11.5832 -11.1860 -11.1860 -0.3502 -0.3502 -0.2582 -0.2582
-0.2330 -0.2330 2.3576 2.3576 2.3779 2.3779 2.3992 2.3992
9.3705 9.3705 9.5657 9.5657 9.5824 9.5824 10.1699 10.1699
k = 0.4200 0.5000 0.4200 ( 5704 PWs) bands (ev):
-47.2137 -47.2137 -47.2133 -47.2133 -47.2130 -47.2130 -19.3395 -19.3395
-19.3386 -19.3386 -19.3144 -19.3144 -19.2173 -19.2173 -19.1492 -19.1492
-19.1361 -19.1361 -19.1348 -19.1348 -18.9509 -18.9509 -18.9483 -18.9483
-11.5838 -11.5838 -11.1889 -11.1889 -0.3526 -0.3526 -0.2612 -0.2612
-0.2289 -0.2289 2.3659 2.3659 2.3862 2.3862 2.4143 2.4143
9.3295 9.3295 9.5789 9.5789 9.5974 9.5974 10.0909 10.0909
k = 0.4100 0.5000 0.4100 ( 5704 PWs) bands (ev):
-47.2138 -47.2138 -47.2133 -47.2133 -47.2129 -47.2129 -19.3392 -19.3392
-19.3381 -19.3381 -19.3137 -19.3137 -19.2168 -19.2168 -19.1483 -19.1483
-19.1366 -19.1366 -19.1350 -19.1350 -18.9519 -18.9519 -18.9486 -18.9486
-11.5844 -11.5844 -11.1922 -11.1922 -0.3557 -0.3557 -0.2640 -0.2640
-0.2241 -0.2241 2.3748 2.3748 2.3952 2.3952 2.4310 2.4310
9.2857 9.2857 9.5938 9.5938 9.6109 9.6109 10.0114 10.0114
k = 0.4000 0.5000 0.4000 ( 5700 PWs) bands (ev):
-47.2139 -47.2139 -47.2133 -47.2133 -47.2128 -47.2128 -19.3388 -19.3388
-19.3376 -19.3376 -19.3129 -19.3129 -19.2161 -19.2161 -19.1473 -19.1473
-19.1372 -19.1372 -19.1353 -19.1353 -18.9529 -18.9529 -18.9489 -18.9489
-11.5852 -11.5852 -11.1959 -11.1959 -0.3596 -0.3596 -0.2664 -0.2664
-0.2185 -0.2185 2.3844 2.3844 2.4049 2.4049 2.4493 2.4493
9.2397 9.2397 9.6100 9.6100 9.6189 9.6189 9.9372 9.9372
k = 0.3900 0.5000 0.3900 ( 5704 PWs) bands (ev):
-47.2140 -47.2140 -47.2133 -47.2133 -47.2127 -47.2127 -19.3385 -19.3385
-19.3371 -19.3371 -19.3122 -19.3122 -19.2155 -19.2155 -19.1462 -19.1462
-19.1379 -19.1379 -19.1356 -19.1356 -18.9541 -18.9541 -18.9493 -18.9493
-11.5860 -11.5860 -11.1999 -11.1999 -0.3642 -0.3642 -0.2682 -0.2682
-0.2121 -0.2121 2.3947 2.3947 2.4151 2.4151 2.4687 2.4687
9.1923 9.1923 9.6090 9.6090 9.6299 9.6299 9.8791 9.8791
k = 0.3800 0.5000 0.3800 ( 5704 PWs) bands (ev):
-47.2141 -47.2141 -47.2133 -47.2133 -47.2125 -47.2125 -19.3382 -19.3382
-19.3365 -19.3365 -19.3113 -19.3113 -19.2147 -19.2147 -19.1451 -19.1451
-19.1385 -19.1385 -19.1360 -19.1360 -18.9553 -18.9553 -18.9497 -18.9497
-11.5869 -11.5869 -11.2042 -11.2042 -0.3696 -0.3696 -0.2693 -0.2693
-0.2049 -0.2049 2.4055 2.4055 2.4257 2.4257 2.4893 2.4893
9.1440 9.1440 9.5725 9.5725 9.6500 9.6500 9.8507 9.8507
k = 0.3700 0.5000 0.3700 ( 5706 PWs) bands (ev):
-47.2142 -47.2142 -47.2133 -47.2133 -47.2124 -47.2124 -19.3378 -19.3378
-19.3359 -19.3359 -19.3105 -19.3105 -19.2139 -19.2139 -19.1440 -19.1440
-19.1390 -19.1390 -19.1363 -19.1363 -18.9566 -18.9566 -18.9502 -18.9502
-11.5879 -11.5879 -11.2088 -11.2088 -0.3758 -0.3758 -0.2697 -0.2697
-0.1970 -0.1970 2.4169 2.4169 2.4366 2.4366 2.5107 2.5107
9.0953 9.0953 9.5072 9.5072 9.6721 9.6721 9.8528 9.8528
k = 0.3600 0.5000 0.3600 ( 5702 PWs) bands (ev):
-47.2144 -47.2144 -47.2133 -47.2133 -47.2123 -47.2123 -19.3373 -19.3373
-19.3352 -19.3352 -19.3096 -19.3096 -19.2131 -19.2131 -19.1431 -19.1431
-19.1391 -19.1391 -19.1366 -19.1366 -18.9580 -18.9580 -18.9507 -18.9507
-11.5889 -11.5889 -11.2137 -11.2137 -0.3825 -0.3825 -0.2691 -0.2691
-0.1884 -0.1884 2.4288 2.4288 2.4476 2.4476 2.5327 2.5327
9.0467 9.0467 9.4251 9.4251 9.6960 9.6960 9.8743 9.8743
k = 0.3500 0.5000 0.3500 ( 5706 PWs) bands (ev):
-47.2145 -47.2145 -47.2133 -47.2133 -47.2121 -47.2121 -19.3369 -19.3369
-19.3346 -19.3346 -19.3088 -19.3088 -19.2122 -19.2122 -19.1431 -19.1431
-19.1386 -19.1386 -19.1369 -19.1369 -18.9594 -18.9594 -18.9512 -18.9512
-11.5900 -11.5900 -11.2189 -11.2189 -0.3897 -0.3897 -0.2677 -0.2677
-0.1790 -0.1790 2.4408 2.4408 2.4586 2.4586 2.5552 2.5552
8.9987 8.9987 9.3351 9.3351 9.7219 9.7219 9.9069 9.9069
k = 0.3400 0.5000 0.3400 ( 5698 PWs) bands (ev):
-47.2147 -47.2147 -47.2133 -47.2133 -47.2120 -47.2120 -19.3364 -19.3364
-19.3339 -19.3339 -19.3079 -19.3079 -19.2112 -19.2112 -19.1435 -19.1435
-19.1381 -19.1381 -19.1363 -19.1363 -18.9609 -18.9609 -18.9518 -18.9518
-11.5912 -11.5912 -11.2243 -11.2243 -0.3973 -0.3973 -0.2653 -0.2653
-0.1690 -0.1690 2.4528 2.4528 2.4699 2.4699 2.5779 2.5779
8.9517 8.9517 9.2417 9.2417 9.7496 9.7496 9.9467 9.9467
k = 0.3300 0.5000 0.3300 ( 5700 PWs) bands (ev):
-47.2149 -47.2149 -47.2133 -47.2133 -47.2118 -47.2118 -19.3359 -19.3359
-19.3332 -19.3332 -19.3070 -19.3070 -19.2102 -19.2102 -19.1444 -19.1444
-19.1383 -19.1383 -19.1347 -19.1347 -18.9625 -18.9625 -18.9524 -18.9524
-11.5925 -11.5925 -11.2299 -11.2299 -0.4051 -0.4051 -0.2619 -0.2619
-0.1584 -0.1584 2.4643 2.4643 2.4817 2.4817 2.6005 2.6005
8.9059 8.9059 9.1472 9.1472 9.7791 9.7791 9.9918 9.9918
k = 0.3200 0.5000 0.3200 ( 5704 PWs) bands (ev):
-47.2150 -47.2150 -47.2133 -47.2133 -47.2117 -47.2117 -19.3354 -19.3354
-19.3325 -19.3325 -19.3062 -19.3062 -19.2092 -19.2092 -19.1454 -19.1454
-19.1388 -19.1388 -19.1326 -19.1326 -18.9641 -18.9641 -18.9530 -18.9530
-11.5938 -11.5938 -11.2357 -11.2357 -0.4131 -0.4131 -0.2575 -0.2575
-0.1472 -0.1472 2.4747 2.4747 2.4943 2.4943 2.6230 2.6230
8.8617 8.8617 9.0528 9.0528 9.8106 9.8106 10.0412 10.0412
k = 0.3100 0.5000 0.3100 ( 5696 PWs) bands (ev):
-47.2152 -47.2152 -47.2133 -47.2133 -47.2115 -47.2115 -19.3348 -19.3348
-19.3318 -19.3318 -19.3054 -19.3054 -19.2081 -19.2081 -19.1464 -19.1464
-19.1392 -19.1392 -19.1303 -19.1303 -18.9657 -18.9657 -18.9537 -18.9537
-11.5952 -11.5952 -11.2417 -11.2417 -0.4212 -0.4212 -0.2520 -0.2520
-0.1355 -0.1355 2.4835 2.4835 2.5078 2.5078 2.6452 2.6452
8.8194 8.8194 8.9593 8.9593 9.8439 9.8439 10.0351 10.0351
k = 0.3000 0.5000 0.3000 ( 5700 PWs) bands (ev):
-47.2154 -47.2154 -47.2133 -47.2133 -47.2113 -47.2113 -19.3343 -19.3343
-19.3311 -19.3311 -19.3047 -19.3047 -19.2070 -19.2070 -19.1475 -19.1475
-19.1398 -19.1398 -19.1278 -19.1278 -18.9674 -18.9674 -18.9544 -18.9544
-11.5967 -11.5967 -11.2479 -11.2479 -0.4291 -0.4291 -0.2456 -0.2456
-0.1233 -0.1233 2.4908 2.4908 2.5223 2.5223 2.6668 2.6668
8.7790 8.7790 8.8672 8.8672 9.8791 9.8791 9.9958 9.9958
k = 0.2900 0.5000 0.2900 ( 5684 PWs) bands (ev):
-47.2156 -47.2156 -47.2133 -47.2133 -47.2111 -47.2111 -19.3337 -19.3337
-19.3304 -19.3304 -19.3040 -19.3040 -19.2057 -19.2057 -19.1486 -19.1486
-19.1403 -19.1403 -19.1251 -19.1251 -18.9691 -18.9691 -18.9551 -18.9551
-11.5982 -11.5982 -11.2542 -11.2542 -0.4370 -0.4370 -0.2381 -0.2381
-0.1107 -0.1107 2.4966 2.4966 2.5374 2.5374 2.6878 2.6878
8.7406 8.7406 8.7771 8.7771 9.9162 9.9162 9.9562 9.9562
k = 0.2800 0.5000 0.2800 ( 5680 PWs) bands (ev):
-47.2157 -47.2157 -47.2133 -47.2133 -47.2110 -47.2110 -19.3331 -19.3331
-19.3296 -19.3296 -19.3033 -19.3033 -19.2045 -19.2045 -19.1498 -19.1498
-19.1409 -19.1409 -19.1223 -19.1223 -18.9708 -18.9708 -18.9559 -18.9559
-11.5998 -11.5998 -11.2606 -11.2606 -0.4446 -0.4446 -0.2295 -0.2295
-0.0978 -0.0978 2.5008 2.5008 2.5530 2.5530 2.7079 2.7079
8.6875 8.6875 8.7063 8.7063 9.9162 9.9162 9.9552 9.9552
k = 0.2700 0.5000 0.2700 ( 5684 PWs) bands (ev):
-47.2159 -47.2159 -47.2133 -47.2133 -47.2108 -47.2108 -19.3325 -19.3325
-19.3289 -19.3289 -19.3027 -19.3027 -19.2033 -19.2033 -19.1510 -19.1510
-19.1415 -19.1415 -19.1193 -19.1193 -18.9725 -18.9725 -18.9567 -18.9567
-11.6014 -11.6014 -11.2671 -11.2671 -0.4519 -0.4519 -0.2198 -0.2198
-0.0845 -0.0845 2.5035 2.5035 2.5689 2.5689 2.7270 2.7270
8.6023 8.6023 8.6723 8.6723 9.8762 9.8762 9.9961 9.9961
k = 0.2600 0.5000 0.2600 ( 5684 PWs) bands (ev):
-47.2161 -47.2161 -47.2133 -47.2133 -47.2106 -47.2106 -19.3319 -19.3319
-19.3282 -19.3282 -19.3022 -19.3022 -19.2021 -19.2021 -19.1522 -19.1522
-19.1421 -19.1421 -19.1162 -19.1162 -18.9743 -18.9743 -18.9576 -18.9576
-11.6030 -11.6030 -11.2736 -11.2736 -0.4590 -0.4590 -0.2092 -0.2092
-0.0710 -0.0710 2.5045 2.5045 2.5851 2.5851 2.7451 2.7451
8.5191 8.5191 8.6414 8.6414 9.8363 9.8363 10.0389 10.0389
k = 0.2500 0.5000 0.2500 ( 5692 PWs) bands (ev):
-47.2163 -47.2163 -47.2133 -47.2133 -47.2104 -47.2104 -19.3313 -19.3313
-19.3276 -19.3276 -19.3018 -19.3018 -19.2009 -19.2009 -19.1534 -19.1534
-19.1428 -19.1428 -19.1129 -19.1129 -18.9760 -18.9760 -18.9585 -18.9585
-11.6047 -11.6047 -11.2802 -11.2802 -0.4657 -0.4657 -0.1974 -0.1974
-0.0573 -0.0573 2.5039 2.5039 2.6014 2.6014 2.7620 2.7620
8.4387 8.4387 8.6131 8.6131 9.7965 9.7965 10.0836 10.0836
k = 0.2400 0.5000 0.2400 ( 5680 PWs) bands (ev):
-47.2165 -47.2165 -47.2133 -47.2133 -47.2102 -47.2102 -19.3307 -19.3307
-19.3268 -19.3268 -19.3014 -19.3014 -19.1996 -19.1996 -19.1546 -19.1546
-19.1435 -19.1435 -19.1095 -19.1095 -18.9777 -18.9777 -18.9594 -18.9594
-11.6064 -11.6064 -11.2867 -11.2867 -0.4720 -0.4720 -0.1847 -0.1847
-0.0434 -0.0434 2.5017 2.5017 2.6178 2.6178 2.7777 2.7777
8.3611 8.3611 8.5874 8.5874 9.7571 9.7571 10.1302 10.1302
k = 0.2300 0.5000 0.2300 ( 5688 PWs) bands (ev):
-47.2167 -47.2167 -47.2133 -47.2133 -47.2101 -47.2101 -19.3302 -19.3302
-19.3261 -19.3261 -19.3011 -19.3011 -19.1983 -19.1983 -19.1558 -19.1558
-19.1442 -19.1442 -19.1060 -19.1060 -18.9795 -18.9795 -18.9604 -18.9604
-11.6081 -11.6081 -11.2933 -11.2933 -0.4779 -0.4779 -0.1711 -0.1711
-0.0294 -0.0294 2.4978 2.4978 2.6341 2.6341 2.7921 2.7921
8.2865 8.2865 8.5642 8.5642 9.7181 9.7181 10.1785 10.1785
k = 0.2200 0.5000 0.2200 ( 5692 PWs) bands (ev):
-47.2169 -47.2169 -47.2133 -47.2133 -47.2099 -47.2099 -19.3296 -19.3296
-19.3254 -19.3254 -19.3009 -19.3009 -19.1970 -19.1970 -19.1570 -19.1570
-19.1450 -19.1450 -19.1025 -19.1025 -18.9812 -18.9812 -18.9614 -18.9614
-11.6099 -11.6099 -11.2998 -11.2998 -0.4834 -0.4834 -0.1565 -0.1565
-0.0154 -0.0154 2.4922 2.4922 2.6504 2.6504 2.8051 2.8051
8.2150 8.2150 8.5435 8.5435 9.6797 9.6797 10.2287 10.2287
k = 0.2100 0.5000 0.2100 ( 5684 PWs) bands (ev):
-47.2170 -47.2170 -47.2133 -47.2133 -47.2097 -47.2097 -19.3290 -19.3290
-19.3247 -19.3247 -19.3007 -19.3007 -19.1957 -19.1957 -19.1581 -19.1581
-19.1457 -19.1457 -19.0988 -19.0988 -18.9828 -18.9828 -18.9624 -18.9624
-11.6116 -11.6116 -11.3062 -11.3062 -0.4884 -0.4884 -0.1410 -0.1410
-0.0014 -0.0014 2.4851 2.4851 2.6665 2.6665 2.8169 2.8169
8.1467 8.1467 8.5252 8.5252 9.6420 9.6420 10.2807 10.2807
k = 0.2000 0.5000 0.2000 ( 5678 PWs) bands (ev):
-47.2172 -47.2172 -47.2133 -47.2133 -47.2095 -47.2095 -19.3285 -19.3285
-19.3240 -19.3240 -19.3006 -19.3006 -19.1944 -19.1944 -19.1593 -19.1593
-19.1465 -19.1465 -19.0950 -19.0950 -18.9845 -18.9845 -18.9635 -18.9635
-11.6134 -11.6134 -11.3126 -11.3126 -0.4930 -0.4930 -0.1248 -0.1248
0.0126 0.0126 2.4763 2.4763 2.6824 2.6824 2.8273 2.8273
8.0817 8.0817 8.5092 8.5092 9.6050 9.6050 10.3344 10.3344
k = 0.1900 0.5000 0.1900 ( 5686 PWs) bands (ev):
-47.2174 -47.2174 -47.2133 -47.2133 -47.2094 -47.2094 -19.3281 -19.3281
-19.3233 -19.3233 -19.3005 -19.3005 -19.1931 -19.1931 -19.1604 -19.1604
-19.1473 -19.1473 -19.0912 -19.0912 -18.9862 -18.9862 -18.9646 -18.9646
-11.6151 -11.6151 -11.3188 -11.3188 -0.4972 -0.4972 -0.1080 -0.1080
0.0265 0.0265 2.4660 2.4660 2.6979 2.6979 2.8364 2.8364
8.0200 8.0200 8.4954 8.4954 9.5690 9.5690 10.3898 10.3898
k = 0.1800 0.5000 0.1800 ( 5676 PWs) bands (ev):
-47.2176 -47.2176 -47.2133 -47.2133 -47.2092 -47.2092 -19.3276 -19.3276
-19.3226 -19.3226 -19.3005 -19.3005 -19.1918 -19.1918 -19.1614 -19.1614
-19.1481 -19.1481 -19.0874 -19.0874 -18.9878 -18.9878 -18.9657 -18.9657
-11.6168 -11.6168 -11.3248 -11.3248 -0.5010 -0.5010 -0.0905 -0.0905
0.0401 0.0401 2.4544 2.4544 2.7132 2.7132 2.8442 2.8442
7.9616 7.9616 8.4836 8.4836 9.5341 9.5341 10.4467 10.4467
k = 0.1700 0.5000 0.1700 ( 5680 PWs) bands (ev):
-47.2177 -47.2177 -47.2133 -47.2133 -47.2090 -47.2090 -19.3272 -19.3272
-19.3218 -19.3218 -19.3006 -19.3006 -19.1906 -19.1906 -19.1625 -19.1625
-19.1489 -19.1489 -19.0835 -19.0835 -18.9894 -18.9894 -18.9668 -18.9668
-11.6185 -11.6185 -11.3307 -11.3307 -0.5044 -0.5044 -0.0727 -0.0727
0.0536 0.0536 2.4415 2.4415 2.7279 2.7279 2.8509 2.8509
7.9066 7.9066 8.4737 8.4737 9.5003 9.5003 10.5050 10.5050
k = 0.1600 0.5000 0.1600 ( 5680 PWs) bands (ev):
-47.2179 -47.2179 -47.2133 -47.2133 -47.2089 -47.2089 -19.3268 -19.3268
-19.3211 -19.3211 -19.3007 -19.3007 -19.1893 -19.1893 -19.1635 -19.1635
-19.1497 -19.1497 -19.0796 -19.0796 -18.9910 -18.9910 -18.9680 -18.9680
-11.6202 -11.6202 -11.3364 -11.3364 -0.5073 -0.5073 -0.0545 -0.0545
0.0669 0.0669 2.4274 2.4274 2.7422 2.7422 2.8564 2.8564
7.8549 7.8549 8.4655 8.4655 9.4677 9.4677 10.5647 10.5647
k = 0.1500 0.5000 0.1500 ( 5678 PWs) bands (ev):
-47.2181 -47.2181 -47.2133 -47.2133 -47.2087 -47.2087 -19.3264 -19.3264
-19.3204 -19.3204 -19.3008 -19.3008 -19.1880 -19.1880 -19.1644 -19.1644
-19.1506 -19.1506 -19.0757 -19.0757 -18.9926 -18.9926 -18.9692 -18.9692
-11.6218 -11.6218 -11.3419 -11.3419 -0.5099 -0.5099 -0.0362 -0.0362
0.0798 0.0798 2.4125 2.4125 2.7560 2.7560 2.8608 2.8608
7.8066 7.8066 8.4589 8.4589 9.4366 9.4366 10.6255 10.6255
k = 0.1400 0.5000 0.1400 ( 5674 PWs) bands (ev):
-47.2182 -47.2182 -47.2133 -47.2133 -47.2086 -47.2086 -19.3261 -19.3261
-19.3196 -19.3196 -19.3010 -19.3010 -19.1868 -19.1868 -19.1652 -19.1652
-19.1515 -19.1515 -19.0718 -19.0718 -18.9941 -18.9941 -18.9703 -18.9703
-11.6234 -11.6234 -11.3471 -11.3471 -0.5122 -0.5122 -0.0179 -0.0179
0.0924 0.0924 2.3967 2.3967 2.7691 2.7691 2.8643 2.8643
7.7617 7.7617 8.4537 8.4537 9.4068 9.4068 10.6873 10.6873
k = 0.1300 0.5000 0.1300 ( 5674 PWs) bands (ev):
-47.2183 -47.2183 -47.2133 -47.2133 -47.2084 -47.2084 -19.3258 -19.3258
-19.3188 -19.3188 -19.3013 -19.3013 -19.1856 -19.1856 -19.1660 -19.1660
-19.1524 -19.1524 -19.0680 -19.0680 -18.9957 -18.9957 -18.9715 -18.9715
-11.6249 -11.6249 -11.3521 -11.3521 -0.5142 -0.5142 0.0001 0.0001
0.1047 0.1047 2.3805 2.3805 2.7816 2.7816 2.8670 2.8670
7.7200 7.7200 8.4497 8.4497 9.3787 9.3787 10.7497 10.7497
k = 0.1200 0.5000 0.1200 ( 5674 PWs) bands (ev):
-47.2185 -47.2185 -47.2133 -47.2133 -47.2083 -47.2083 -19.3256 -19.3256
-19.3181 -19.3181 -19.3015 -19.3015 -19.1844 -19.1844 -19.1667 -19.1667
-19.1533 -19.1533 -19.0642 -19.0642 -18.9973 -18.9973 -18.9727 -18.9727
-11.6263 -11.6263 -11.3568 -11.3568 -0.5158 -0.5158 0.0177 0.0177
0.1165 0.1165 2.3639 2.3639 2.7933 2.7933 2.8689 2.8689
7.6817 7.6817 8.4468 8.4468 9.3522 9.3522 10.8125 10.8125
k = 0.1100 0.5000 0.1100 ( 5666 PWs) bands (ev):
-47.2186 -47.2186 -47.2133 -47.2133 -47.2082 -47.2082 -19.3254 -19.3254
-19.3173 -19.3173 -19.3018 -19.3018 -19.1833 -19.1833 -19.1673 -19.1673
-19.1542 -19.1542 -19.0604 -19.0604 -18.9988 -18.9988 -18.9738 -18.9738
-11.6276 -11.6276 -11.3612 -11.3612 -0.5172 -0.5172 0.0347 0.0347
0.1280 0.1280 2.3473 2.3473 2.8043 2.8043 2.8702 2.8702
7.6466 7.6466 8.4447 8.4447 9.3274 9.3274 10.8753 10.8753
k = 0.1000 0.5000 0.1000 ( 5670 PWs) bands (ev):
-47.2187 -47.2187 -47.2133 -47.2133 -47.2081 -47.2081 -19.3253 -19.3253
-19.3166 -19.3166 -19.3021 -19.3021 -19.1823 -19.1823 -19.1678 -19.1678
-19.1551 -19.1551 -19.0568 -19.0568 -19.0004 -19.0004 -18.9749 -18.9749
-11.6289 -11.6289 -11.3653 -11.3653 -0.5184 -0.5184 0.0508 0.0508
0.1390 0.1390 2.3310 2.3310 2.8144 2.8144 2.8710 2.8710
7.6148 7.6148 8.4434 8.4434 9.3045 9.3045 10.9376 10.9376
k = 0.0900 0.5000 0.0900 ( 5666 PWs) bands (ev):
-47.2188 -47.2188 -47.2133 -47.2133 -47.2080 -47.2080 -19.3252 -19.3252
-19.3158 -19.3158 -19.3024 -19.3024 -19.1813 -19.1813 -19.1682 -19.1682
-19.1561 -19.1561 -19.0532 -19.0532 -19.0020 -19.0020 -18.9759 -18.9759
-11.6300 -11.6300 -11.3690 -11.3690 -0.5193 -0.5193 0.0658 0.0658
0.1495 0.1495 2.3150 2.3150 2.8236 2.8236 2.8714 2.8714
7.5861 7.5861 8.4427 8.4427 9.2835 9.2835 10.9987 10.9987
k = 0.0800 0.5000 0.0800 ( 5666 PWs) bands (ev):
-47.2189 -47.2189 -47.2133 -47.2133 -47.2079 -47.2079 -19.3251 -19.3251
-19.3151 -19.3151 -19.3027 -19.3027 -19.1804 -19.1804 -19.1684 -19.1684
-19.1571 -19.1571 -19.0497 -19.0497 -19.0036 -19.0036 -18.9769 -18.9769
-11.6311 -11.6311 -11.3724 -11.3724 -0.5200 -0.5200 0.0795 0.0795
0.1596 0.1596 2.2999 2.2999 2.8319 2.8319 2.8716 2.8716
7.5606 7.5606 8.4425 8.4425 9.2645 9.2645 11.0581 11.0581
k = 0.0700 0.5000 0.0700 ( 5654 PWs) bands (ev):
-47.2190 -47.2190 -47.2133 -47.2133 -47.2078 -47.2078 -19.3250 -19.3250
-19.3144 -19.3144 -19.3031 -19.3031 -19.1797 -19.1797 -19.1685 -19.1685
-19.1580 -19.1580 -19.0463 -19.0463 -19.0052 -19.0052 -18.9778 -18.9778
-11.6320 -11.6320 -11.3754 -11.3754 -0.5206 -0.5206 0.0917 0.0917
0.1689 0.1689 2.2857 2.2857 2.8391 2.8391 2.8716 2.8716
7.5382 7.5382 8.4426 8.4426 9.2476 9.2476 11.1148 11.1148
k = 0.0600 0.5000 0.0600 ( 5662 PWs) bands (ev):
-47.2190 -47.2190 -47.2133 -47.2133 -47.2077 -47.2077 -19.3250 -19.3250
-19.3138 -19.3138 -19.3034 -19.3034 -19.1790 -19.1790 -19.1684 -19.1684
-19.1590 -19.1590 -19.0432 -19.0432 -19.0069 -19.0069 -18.9786 -18.9786
-11.6329 -11.6329 -11.3780 -11.3780 -0.5211 -0.5211 0.1024 0.1024
0.1776 0.1776 2.2728 2.2728 2.8453 2.8453 2.8716 2.8716
7.5189 7.5189 8.4428 8.4428 9.2328 9.2328 11.1679 11.1679
k = 0.0500 0.5000 0.0500 ( 5674 PWs) bands (ev):
-47.2191 -47.2191 -47.2134 -47.2134 -47.2077 -47.2077 -19.3250 -19.3250
-19.3132 -19.3132 -19.3038 -19.3038 -19.1786 -19.1786 -19.1682 -19.1682
-19.1600 -19.1600 -19.0402 -19.0402 -19.0086 -19.0086 -18.9794 -18.9794
-11.6336 -11.6336 -11.3803 -11.3803 -0.5215 -0.5215 0.1115 0.1115
0.1853 0.1853 2.2614 2.2614 2.8502 2.8502 2.8717 2.8717
7.5026 7.5026 8.4433 8.4433 9.2202 9.2202 11.2161 11.2161
k = 0.0400 0.5000 0.0400 ( 5674 PWs) bands (ev):
-47.2192 -47.2192 -47.2134 -47.2134 -47.2076 -47.2076 -19.3250 -19.3250
-19.3127 -19.3127 -19.3042 -19.3042 -19.1782 -19.1782 -19.1678 -19.1678
-19.1610 -19.1610 -19.0375 -19.0375 -19.0102 -19.0102 -18.9800 -18.9800
-11.6342 -11.6342 -11.3821 -11.3821 -0.5217 -0.5217 0.1188 0.1188
0.1920 0.1920 2.2518 2.2518 2.8539 2.8539 2.8722 2.8722
7.4893 7.4893 8.4437 8.4437 9.2097 9.2097 11.2583 11.2583
k = 0.0300 0.5000 0.0300 ( 5674 PWs) bands (ev):
-47.2192 -47.2192 -47.2134 -47.2134 -47.2076 -47.2076 -19.3250 -19.3250
-19.3122 -19.3122 -19.3045 -19.3045 -19.1779 -19.1779 -19.1673 -19.1673
-19.1619 -19.1619 -19.0350 -19.0350 -19.0118 -19.0118 -18.9805 -18.9805
-11.6346 -11.6346 -11.3836 -11.3836 -0.5219 -0.5219 0.1245 0.1245
0.1975 0.1975 2.2440 2.2440 2.8564 2.8564 2.8728 2.8728
7.4790 7.4790 8.4441 8.4441 9.2016 9.2016 11.2930 11.2930
k = 0.0200 0.5000 0.0200 ( 5678 PWs) bands (ev):
-47.2193 -47.2193 -47.2134 -47.2134 -47.2076 -47.2076 -19.3250 -19.3250
-19.3119 -19.3119 -19.3048 -19.3048 -19.1778 -19.1778 -19.1666 -19.1666
-19.1628 -19.1628 -19.0331 -19.0331 -19.0131 -19.0131 -18.9809 -18.9809
-11.6350 -11.6350 -11.3846 -11.3846 -0.5220 -0.5220 0.1286 0.1286
0.2015 0.2015 2.2384 2.2384 2.8579 2.8579 2.8735 2.8735
7.4717 7.4717 8.4445 8.4445 9.1958 9.1958 11.3189 11.3189
k = 0.0100 0.5000 0.0100 ( 5698 PWs) bands (ev):
-47.2193 -47.2193 -47.2134 -47.2134 -47.2075 -47.2075 -19.3250 -19.3250
-19.3117 -19.3117 -19.3050 -19.3050 -19.1777 -19.1777 -19.1660 -19.1660
-19.1637 -19.1637 -19.0318 -19.0318 -19.0141 -19.0141 -18.9812 -18.9812
-11.6352 -11.6352 -11.3853 -11.3853 -0.5221 -0.5221 0.1310 0.1310
0.2039 0.2039 2.2349 2.2349 2.8586 2.8586 2.8741 2.8741
7.4673 7.4673 8.4447 8.4447 9.1923 9.1923 11.3350 11.3350
k = 0.0000 0.5000-0.0000 ( 5702 PWs) bands (ev):
-47.2193 -47.2193 -47.2134 -47.2134 -47.2075 -47.2075 -19.3250 -19.3250
-19.3116 -19.3116 -19.3051 -19.3051 -19.1777 -19.1777 -19.1657 -19.1657
-19.1641 -19.1641 -19.0313 -19.0313 -19.0145 -19.0145 -18.9813 -18.9813
-11.6352 -11.6352 -11.3855 -11.3855 -0.5221 -0.5221 0.1318 0.1318
0.2048 0.2048 2.2338 2.2338 2.8588 2.8588 2.8743 2.8743
7.4658 7.4658 8.4447 8.4447 9.1911 9.1911 11.3403 11.3403
k = 0.5000 0.5000-0.0000 ( 5712 PWs) bands (ev):
-47.2134 -47.2134 -47.2133 -47.2133 -47.2133 -47.2133 -19.3362 -19.3362
-19.3122 -19.3122 -19.3066 -19.3066 -19.1885 -19.1885 -19.1690 -19.1690
-19.1418 -19.1418 -19.1003 -19.1003 -19.0047 -19.0047 -18.9477 -18.9477
-11.6009 -11.6009 -11.2786 -11.2786 -0.5488 -0.5488 -0.4869 -0.4869
0.2111 0.2111 2.6440 2.6440 2.6529 2.6529 2.9004 2.9004
7.8854 7.8854 8.1177 8.1177 10.2314 10.2314 10.2555 10.2555
k = 0.5000 0.5000 0.0143 ( 5688 PWs) bands (ev):
-47.2134 -47.2134 -47.2133 -47.2133 -47.2133 -47.2133 -19.3361 -19.3361
-19.3123 -19.3123 -19.3064 -19.3064 -19.1885 -19.1885 -19.1688 -19.1688
-19.1417 -19.1417 -19.1005 -19.1005 -19.0044 -19.0044 -18.9477 -18.9477
-11.6009 -11.6009 -11.2784 -11.2784 -0.5484 -0.5484 -0.4865 -0.4865
0.2100 0.2100 2.6434 2.6434 2.6524 2.6524 2.8992 2.8992
7.8892 7.8892 8.1200 8.1200 10.2303 10.2303 10.2543 10.2543
k = 0.5000 0.5000 0.0286 ( 5688 PWs) bands (ev):
-47.2134 -47.2134 -47.2133 -47.2133 -47.2133 -47.2133 -19.3361 -19.3361
-19.3128 -19.3128 -19.3062 -19.3062 -19.1891 -19.1891 -19.1682 -19.1682
-19.1417 -19.1417 -19.1011 -19.1011 -19.0038 -19.0038 -18.9477 -18.9477
-11.6007 -11.6007 -11.2778 -11.2778 -0.5471 -0.5471 -0.4852 -0.4852
0.2068 0.2068 2.6417 2.6417 2.6507 2.6507 2.8954 2.8954
7.9005 7.9005 8.1271 8.1271 10.2269 10.2269 10.2506 10.2506
k = 0.5000 0.5000 0.0429 ( 5688 PWs) bands (ev):
-47.2134 -47.2134 -47.2133 -47.2133 -47.2133 -47.2133 -19.3361 -19.3361
-19.3134 -19.3134 -19.3059 -19.3059 -19.1899 -19.1899 -19.1674 -19.1674
-19.1416 -19.1416 -19.1020 -19.1020 -19.0028 -19.0028 -18.9476 -18.9476
-11.6006 -11.6006 -11.2768 -11.2768 -0.5450 -0.5450 -0.4830 -0.4830
0.2014 0.2014 2.6389 2.6389 2.6480 2.6480 2.8892 2.8892
7.9193 7.9193 8.1389 8.1389 10.2213 10.2213 10.2444 10.2444
k = 0.5000 0.5000 0.0571 ( 5704 PWs) bands (ev):
-47.2134 -47.2134 -47.2133 -47.2133 -47.2133 -47.2133 -19.3362 -19.3362
-19.3143 -19.3143 -19.3056 -19.3056 -19.1910 -19.1910 -19.1663 -19.1663
-19.1416 -19.1416 -19.1033 -19.1033 -19.0016 -19.0016 -18.9477 -18.9477
-11.6003 -11.6003 -11.2754 -11.2754 -0.5421 -0.5421 -0.4800 -0.4800
0.1939 0.1939 2.6350 2.6350 2.6441 2.6441 2.8805 2.8805
7.9455 7.9455 8.1552 8.1552 10.2132 10.2132 10.2357 10.2357
k = 0.5000 0.5000 0.0714 ( 5712 PWs) bands (ev):
-47.2134 -47.2134 -47.2133 -47.2133 -47.2133 -47.2133 -19.3363 -19.3363
-19.3153 -19.3153 -19.3053 -19.3053 -19.1922 -19.1922 -19.1650 -19.1650
-19.1416 -19.1416 -19.1048 -19.1048 -19.0000 -19.0000 -18.9477 -18.9477
-11.5999 -11.5999 -11.2736 -11.2736 -0.5384 -0.5384 -0.4761 -0.4761
0.1844 0.1844 2.6299 2.6299 2.6392 2.6392 2.8696 2.8696
7.9790 7.9790 8.1760 8.1760 10.2028 10.2028 10.2242 10.2242
k = 0.5000 0.5000 0.0857 ( 5696 PWs) bands (ev):
-47.2134 -47.2134 -47.2133 -47.2133 -47.2133 -47.2133 -19.3364 -19.3364
-19.3162 -19.3162 -19.3049 -19.3049 -19.1935 -19.1935 -19.1636 -19.1636
-19.1414 -19.1414 -19.1066 -19.1066 -18.9981 -18.9981 -18.9476 -18.9476
-11.5995 -11.5995 -11.2714 -11.2714 -0.5340 -0.5340 -0.4714 -0.4714
0.1730 0.1730 2.6239 2.6239 2.6333 2.6333 2.8565 2.8565
8.0196 8.0196 8.2012 8.2012 10.1898 10.1898 10.2100 10.2100
k = 0.5000 0.5000 0.1000 ( 5672 PWs) bands (ev):
-47.2134 -47.2134 -47.2133 -47.2133 -47.2133 -47.2133 -19.3364 -19.3364
-19.3172 -19.3172 -19.3046 -19.3046 -19.1948 -19.1948 -19.1621 -19.1621
-19.1412 -19.1412 -19.1085 -19.1085 -18.9960 -18.9960 -18.9475 -18.9475
-11.5990 -11.5990 -11.2689 -11.2689 -0.5287 -0.5287 -0.4660 -0.4660
0.1599 0.1599 2.6168 2.6168 2.6264 2.6264 2.8414 2.8414
8.0673 8.0673 8.2306 8.2306 10.1742 10.1742 10.1930 10.1930
k = 0.5000 0.5000 0.1143 ( 5684 PWs) bands (ev):
-47.2134 -47.2134 -47.2133 -47.2133 -47.2133 -47.2133 -19.3366 -19.3366
-19.3184 -19.3184 -19.3045 -19.3045 -19.1963 -19.1963 -19.1606 -19.1606
-19.1411 -19.1411 -19.1107 -19.1107 -18.9937 -18.9937 -18.9475 -18.9475
-11.5985 -11.5985 -11.2661 -11.2661 -0.5228 -0.5228 -0.4598 -0.4598
0.1451 0.1451 2.6087 2.6087 2.6185 2.6185 2.8243 2.8243
8.1216 8.1216 8.2640 8.2640 10.1559 10.1559 10.1732 10.1732
k = 0.5000 0.5000 0.1286 ( 5680 PWs) bands (ev):
-47.2134 -47.2134 -47.2133 -47.2133 -47.2133 -47.2133 -19.3367 -19.3367
-19.3195 -19.3195 -19.3045 -19.3045 -19.1977 -19.1977 -19.1590 -19.1590
-19.1410 -19.1410 -19.1129 -19.1129 -18.9913 -18.9913 -18.9475 -18.9475
-11.5979 -11.5979 -11.2629 -11.2629 -0.5162 -0.5162 -0.4528 -0.4528
0.1289 0.1289 2.5998 2.5998 2.6098 2.6098 2.8056 2.8056
8.1826 8.1826 8.3013 8.3013 10.1350 10.1350 10.1505 10.1505
k = 0.5000 0.5000 0.1429 ( 5684 PWs) bands (ev):
-47.2134 -47.2134 -47.2133 -47.2133 -47.2133 -47.2133 -19.3368 -19.3368
-19.3207 -19.3207 -19.3045 -19.3045 -19.1992 -19.1992 -19.1574 -19.1574
-19.1408 -19.1408 -19.1152 -19.1152 -18.9888 -18.9888 -18.9475 -18.9475
-11.5972 -11.5972 -11.2595 -11.2595 -0.5090 -0.5090 -0.4452 -0.4452
0.1114 0.1114 2.5899 2.5899 2.6001 2.6001 2.7854 2.7854
8.2498 8.2498 8.3421 8.3421 10.1114 10.1114 10.1252 10.1252
k = 0.5000 0.5000 0.1571 ( 5684 PWs) bands (ev):
-47.2134 -47.2134 -47.2133 -47.2133 -47.2133 -47.2133 -19.3370 -19.3370
-19.3219 -19.3219 -19.3046 -19.3046 -19.2006 -19.2006 -19.1559 -19.1559
-19.1407 -19.1407 -19.1175 -19.1175 -18.9863 -18.9863 -18.9475 -18.9475
-11.5965 -11.5965 -11.2558 -11.2558 -0.5012 -0.5012 -0.4370 -0.4370
0.0927 0.0927 2.5793 2.5793 2.5898 2.5898 2.7639 2.7639
8.3231 8.3231 8.3864 8.3864 10.0855 10.0855 10.0973 10.0973
k = 0.5000 0.5000 0.1714 ( 5676 PWs) bands (ev):
-47.2134 -47.2134 -47.2133 -47.2133 -47.2133 -47.2133 -19.3371 -19.3371
-19.3231 -19.3231 -19.3048 -19.3048 -19.2020 -19.2020 -19.1543 -19.1543
-19.1405 -19.1405 -19.1198 -19.1198 -18.9837 -18.9837 -18.9474 -18.9474
-11.5958 -11.5958 -11.2518 -11.2518 -0.4928 -0.4928 -0.4282 -0.4282
0.0731 0.0731 2.5679 2.5679 2.5787 2.5787 2.7412 2.7412
8.4020 8.4020 8.4337 8.4337 10.0572 10.0572 10.0673 10.0673
k = 0.5000 0.5000 0.1857 ( 5676 PWs) bands (ev):
-47.2133 -47.2133 -47.2133 -47.2133 -47.2133 -47.2133 -19.3373 -19.3373
-19.3243 -19.3243 -19.3051 -19.3051 -19.2034 -19.2034 -19.1527 -19.1527
-19.1404 -19.1404 -19.1221 -19.1221 -18.9811 -18.9811 -18.9474 -18.9474
-11.5950 -11.5950 -11.2477 -11.2477 -0.4840 -0.4840 -0.4189 -0.4189
0.0528 0.0528 2.5558 2.5558 2.5670 2.5670 2.7177 2.7177
8.4839 8.4839 8.4864 8.4864 10.0271 10.0271 10.0354 10.0354
k = 0.5000 0.5000 0.2000 ( 5668 PWs) bands (ev):
-47.2133 -47.2133 -47.2133 -47.2133 -47.2133 -47.2133 -19.3375 -19.3375
-19.3255 -19.3255 -19.3055 -19.3055 -19.2047 -19.2047 -19.1512 -19.1512
-19.1403 -19.1403 -19.1243 -19.1243 -18.9784 -18.9784 -18.9473 -18.9473
-11.5942 -11.5942 -11.2434 -11.2434 -0.4748 -0.4748 -0.4092 -0.4092
0.0319 0.0319 2.5432 2.5432 2.5547 2.5547 2.6936 2.6936
8.5367 8.5367 8.5759 8.5759 9.9954 9.9954 10.0020 10.0020
k = 0.5000 0.5000 0.2143 ( 5676 PWs) bands (ev):
-47.2133 -47.2133 -47.2133 -47.2133 -47.2133 -47.2133 -19.3377 -19.3377
-19.3267 -19.3267 -19.3059 -19.3059 -19.2060 -19.2060 -19.1498 -19.1498
-19.1403 -19.1403 -19.1263 -19.1263 -18.9759 -18.9759 -18.9473 -18.9473
-11.5933 -11.5933 -11.2390 -11.2390 -0.4653 -0.4653 -0.3991 -0.3991
0.0106 0.0106 2.5301 2.5301 2.5419 2.5419 2.6689 2.6689
8.5918 8.5918 8.6701 8.6701 9.9626 9.9626 9.9676 9.9676
k = 0.5000 0.5000 0.2286 ( 5684 PWs) bands (ev):
-47.2133 -47.2133 -47.2133 -47.2133 -47.2133 -47.2133 -19.3379 -19.3379
-19.3278 -19.3278 -19.3065 -19.3065 -19.2073 -19.2073 -19.1484 -19.1484
-19.1404 -19.1404 -19.1283 -19.1283 -18.9734 -18.9734 -18.9473 -18.9473
-11.5924 -11.5924 -11.2345 -11.2345 -0.4556 -0.4556 -0.3886 -0.3886
-0.0108 -0.0108 2.5166 2.5166 2.5288 2.5288 2.6440 2.6440
8.6489 8.6489 8.7686 8.7686 9.9290 9.9290 9.9326 9.9326
k = 0.5000 0.5000 0.2429 ( 5692 PWs) bands (ev):
-47.2133 -47.2133 -47.2133 -47.2133 -47.2133 -47.2133 -19.3381 -19.3381
-19.3290 -19.3290 -19.3071 -19.3071 -19.2085 -19.2085 -19.1470 -19.1470
-19.1407 -19.1407 -19.1300 -19.1300 -18.9710 -18.9710 -18.9473 -18.9473
-11.5916 -11.5916 -11.2299 -11.2299 -0.4457 -0.4457 -0.3780 -0.3780
-0.0323 -0.0323 2.5028 2.5028 2.5154 2.5154 2.6191 2.6191
8.7076 8.7076 8.8710 8.8710 9.8951 9.8951 9.8974 9.8974
k = 0.5000 0.5000 0.2571 ( 5700 PWs) bands (ev):
-47.2133 -47.2133 -47.2133 -47.2133 -47.2133 -47.2133 -19.3383 -19.3383
-19.3301 -19.3301 -19.3078 -19.3078 -19.2097 -19.2097 -19.1457 -19.1457
-19.1410 -19.1410 -19.1314 -19.1314 -18.9686 -18.9686 -18.9473 -18.9473
-11.5907 -11.5907 -11.2253 -11.2253 -0.4357 -0.4357 -0.3672 -0.3672
-0.0535 -0.0535 2.4888 2.4888 2.5019 2.5019 2.5943 2.5943
8.7677 8.7677 8.9769 8.9769 9.8612 9.8612 9.8624 9.8624
k = 0.5000 0.5000 0.2714 ( 5700 PWs) bands (ev):
-47.2133 -47.2133 -47.2133 -47.2133 -47.2133 -47.2133 -19.3385 -19.3385
-19.3312 -19.3312 -19.3085 -19.3085 -19.2108 -19.2108 -19.1444 -19.1444
-19.1416 -19.1416 -19.1325 -19.1325 -18.9663 -18.9663 -18.9473 -18.9473
-11.5898 -11.5898 -11.2207 -11.2207 -0.4257 -0.4257 -0.3563 -0.3563
-0.0744 -0.0744 2.4747 2.4747 2.4883 2.4883 2.5699 2.5699
8.8287 8.8287 9.0858 9.0858 9.8277 9.8277 9.8279 9.8279
k = 0.5000 0.5000 0.2857 ( 5692 PWs) bands (ev):
-47.2133 -47.2133 -47.2133 -47.2133 -47.2133 -47.2133 -19.3387 -19.3387
-19.3322 -19.3322 -19.3092 -19.3092 -19.2118 -19.2118 -19.1432 -19.1432
-19.1423 -19.1423 -19.1333 -19.1333 -18.9641 -18.9641 -18.9472 -18.9472
-11.5889 -11.5889 -11.2162 -11.2162 -0.4158 -0.4158 -0.3454 -0.3454
-0.0947 -0.0947 2.4606 2.4606 2.4747 2.4747 2.5461 2.5461
8.8903 8.8903 9.1972 9.1972 9.7943 9.7943 9.7951 9.7951
k = 0.5000 0.5000 0.3000 ( 5692 PWs) bands (ev):
-47.2133 -47.2133 -47.2133 -47.2133 -47.2133 -47.2133 -19.3389 -19.3389
-19.3332 -19.3332 -19.3099 -19.3099 -19.2128 -19.2128 -19.1432 -19.1432
-19.1420 -19.1420 -19.1338 -19.1338 -18.9620 -18.9620 -18.9472 -18.9472
-11.5881 -11.5881 -11.2117 -11.2117 -0.4062 -0.4062 -0.3347 -0.3347
-0.1142 -0.1142 2.4467 2.4467 2.4613 2.4613 2.5229 2.5229
8.9521 8.9521 9.3104 9.3104 9.7618 9.7618 9.7634 9.7634
k = 0.5000 0.5000 0.3143 ( 5692 PWs) bands (ev):
-47.2133 -47.2133 -47.2133 -47.2133 -47.2133 -47.2133 -19.3391 -19.3391
-19.3341 -19.3341 -19.3107 -19.3107 -19.2137 -19.2137 -19.1443 -19.1443
-19.1409 -19.1409 -19.1341 -19.1341 -18.9601 -18.9601 -18.9472 -18.9472
-11.5873 -11.5873 -11.2074 -11.2074 -0.3969 -0.3969 -0.3241 -0.3241
-0.1329 -0.1329 2.4329 2.4329 2.4482 2.4482 2.5007 2.5007
9.0135 9.0135 9.4248 9.4248 9.7308 9.7308 9.7331 9.7331
k = 0.5000 0.5000 0.3286 ( 5700 PWs) bands (ev):
-47.2133 -47.2133 -47.2133 -47.2133 -47.2133 -47.2133 -19.3393 -19.3393
-19.3350 -19.3350 -19.3115 -19.3115 -19.2145 -19.2145 -19.1454 -19.1454
-19.1399 -19.1399 -19.1343 -19.1343 -18.9583 -18.9583 -18.9472 -18.9472
-11.5865 -11.5865 -11.2033 -11.2033 -0.3881 -0.3881 -0.3139 -0.3139
-0.1505 -0.1505 2.4196 2.4196 2.4354 2.4354 2.4795 2.4795
9.0742 9.0742 9.5398 9.5398 9.7013 9.7013 9.7043 9.7043
k = 0.5000 0.5000 0.3429 ( 5708 PWs) bands (ev):
-47.2133 -47.2133 -47.2133 -47.2133 -47.2133 -47.2133 -19.3395 -19.3395
-19.3359 -19.3359 -19.3123 -19.3123 -19.2153 -19.2153 -19.1465 -19.1465
-19.1390 -19.1390 -19.1344 -19.1344 -18.9565 -18.9565 -18.9472 -18.9472
-11.5857 -11.5857 -11.1993 -11.1993 -0.3799 -0.3799 -0.3040 -0.3040
-0.1668 -0.1668 2.4067 2.4067 2.4232 2.4232 2.4596 2.4596
9.1337 9.1337 9.6534 9.6534 9.6737 9.6737 9.6782 9.6782
k = 0.5000 0.5000 0.3571 ( 5700 PWs) bands (ev):
-47.2133 -47.2133 -47.2133 -47.2133 -47.2133 -47.2133 -19.3396 -19.3396
-19.3366 -19.3366 -19.3130 -19.3130 -19.2160 -19.2160 -19.1474 -19.1474
-19.1381 -19.1381 -19.1344 -19.1344 -18.9549 -18.9549 -18.9472 -18.9472
-11.5850 -11.5850 -11.1956 -11.1956 -0.3723 -0.3723 -0.2947 -0.2947
-0.1818 -0.1818 2.3943 2.3943 2.4116 2.4116 2.4410 2.4410
9.1912 9.1912 9.6480 9.6480 9.6516 9.6516 9.7682 9.7682
k = 0.5000 0.5000 0.3714 ( 5708 PWs) bands (ev):
-47.2133 -47.2133 -47.2133 -47.2133 -47.2133 -47.2133 -19.3398 -19.3398
-19.3374 -19.3374 -19.3137 -19.3137 -19.2167 -19.2167 -19.1484 -19.1484
-19.1373 -19.1373 -19.1343 -19.1343 -18.9535 -18.9535 -18.9472 -18.9472
-11.5843 -11.5843 -11.1921 -11.1921 -0.3656 -0.3656 -0.2858 -0.2858
-0.1953 -0.1953 2.3827 2.3827 2.4007 2.4007 2.4240 2.4240
9.2464 9.2464 9.6244 9.6244 9.6285 9.6285 9.8791 9.8791
k = 0.5000 0.5000 0.3857 ( 5708 PWs) bands (ev):
-47.2133 -47.2133 -47.2133 -47.2133 -47.2133 -47.2133 -19.3399 -19.3399
-19.3380 -19.3380 -19.3144 -19.3144 -19.2173 -19.2173 -19.1493 -19.1493
-19.1366 -19.1366 -19.1343 -19.1343 -18.9522 -18.9522 -18.9472 -18.9472
-11.5837 -11.5837 -11.1889 -11.1889 -0.3599 -0.3599 -0.2777 -0.2777
-0.2071 -0.2071 2.3718 2.3718 2.3906 2.3906 2.4085 2.4085
9.2985 9.2985 9.6030 9.6030 9.6075 9.6075 9.9863 9.9863
k = 0.5000 0.5000 0.4000 ( 5708 PWs) bands (ev):
-47.2133 -47.2133 -47.2133 -47.2133 -47.2133 -47.2133 -19.3401 -19.3401
-19.3386 -19.3386 -19.3150 -19.3150 -19.2178 -19.2178 -19.1501 -19.1501
-19.1359 -19.1359 -19.1342 -19.1342 -18.9510 -18.9510 -18.9471 -18.9471
-11.5832 -11.5832 -11.1860 -11.1860 -0.3551 -0.3551 -0.2703 -0.2703
-0.2172 -0.2172 2.3618 2.3618 2.3815 2.3815 2.3948 2.3948
9.3468 9.3468 9.5840 9.5840 9.5888 9.5888 10.0883 10.0883
k = 0.5000 0.5000 0.4143 ( 5716 PWs) bands (ev):
-47.2133 -47.2133 -47.2133 -47.2133 -47.2133 -47.2133 -19.3402 -19.3402
-19.3391 -19.3391 -19.3156 -19.3156 -19.2183 -19.2183 -19.1508 -19.1508
-19.1354 -19.1354 -19.1341 -19.1341 -18.9500 -18.9500 -18.9471 -18.9471
-11.5827 -11.5827 -11.1834 -11.1834 -0.3514 -0.3514 -0.2637 -0.2637
-0.2255 -0.2255 2.3527 2.3527 2.3733 2.3733 2.3828 2.3828
9.3906 9.3906 9.5673 9.5673 9.5724 9.5724 10.1833 10.1833
k = 0.5000 0.5000 0.4286 ( 5708 PWs) bands (ev):
-47.2133 -47.2133 -47.2133 -47.2133 -47.2133 -47.2133 -19.3403 -19.3403
-19.3395 -19.3395 -19.3161 -19.3161 -19.2186 -19.2186 -19.1513 -19.1513
-19.1349 -19.1349 -19.1340 -19.1340 -18.9491 -18.9491 -18.9471 -18.9471
-11.5822 -11.5822 -11.1812 -11.1812 -0.3487 -0.3487 -0.2580 -0.2580
-0.2321 -0.2321 2.3448 2.3448 2.3663 2.3663 2.3727 2.3727
9.4292 9.4292 9.5532 9.5532 9.5584 9.5584 10.2691 10.2691
k = 0.5000 0.5000 0.4429 ( 5708 PWs) bands (ev):
-47.2133 -47.2133 -47.2133 -47.2133 -47.2133 -47.2133 -19.3404 -19.3404
-19.3399 -19.3399 -19.3165 -19.3165 -19.2189 -19.2189 -19.1518 -19.1518
-19.1345 -19.1345 -19.1340 -19.1340 -18.9484 -18.9484 -18.9471 -18.9471
-11.5819 -11.5819 -11.1794 -11.1794 -0.3470 -0.3470 -0.2532 -0.2532
-0.2370 -0.2370 2.3381 2.3381 2.3605 2.3605 2.3644 2.3644
9.4619 9.4619 9.5415 9.5415 9.5468 9.5468 10.3434 10.3434
k = 0.5000 0.5000 0.4571 ( 5700 PWs) bands (ev):
-47.2133 -47.2133 -47.2133 -47.2133 -47.2133 -47.2133 -19.3404 -19.3404
-19.3401 -19.3401 -19.3168 -19.3168 -19.2192 -19.2192 -19.1521 -19.1521
-19.1342 -19.1342 -19.1339 -19.1339 -18.9478 -18.9478 -18.9471 -18.9471
-11.5816 -11.5816 -11.1780 -11.1780 -0.3459 -0.3459 -0.2495 -0.2495
-0.2406 -0.2406 2.3328 2.3328 2.3559 2.3559 2.3580 2.3580
9.4880 9.4880 9.5326 9.5326 9.5378 9.5378 10.4029 10.4029
k = 0.5000 0.5000 0.4714 ( 5684 PWs) bands (ev):
-47.2133 -47.2133 -47.2133 -47.2133 -47.2133 -47.2133 -19.3404 -19.3404
-19.3403 -19.3403 -19.3170 -19.3170 -19.2193 -19.2193 -19.1523 -19.1523
-19.1339 -19.1339 -19.1338 -19.1338 -18.9474 -18.9474 -18.9470 -18.9470
-11.5814 -11.5814 -11.1769 -11.1769 -0.3454 -0.3454 -0.2468 -0.2468
-0.2429 -0.2429 2.3289 2.3289 2.3526 2.3526 2.3535 2.3535
9.5068 9.5068 9.5265 9.5265 9.5314 9.5314 10.4430 10.4430
k = 0.5000 0.5000 0.4857 ( 5652 PWs) bands (ev):
-47.2133 -47.2133 -47.2133 -47.2133 -47.2133 -47.2133 -19.3403 -19.3403
-19.3403 -19.3403 -19.3170 -19.3170 -19.2193 -19.2193 -19.1524 -19.1524
-19.1337 -19.1337 -19.1337 -19.1337 -18.9471 -18.9471 -18.9469 -18.9469
-11.5813 -11.5813 -11.1763 -11.1763 -0.3451 -0.3451 -0.2451 -0.2451
-0.2442 -0.2442 2.3266 2.3266 2.3506 2.3506 2.3508 2.3508
9.5163 9.5163 9.5248 9.5248 9.5275 9.5275 10.4601 10.4601
k = 0.5000 0.5000 0.5000 ( 5616 PWs) bands (ev):
-47.2132 -47.2132 -47.2132 -47.2132 -47.2132 -47.2132 -19.3403 -19.3403
-19.3403 -19.3403 -19.3170 -19.3170 -19.2192 -19.2192 -19.1523 -19.1523
-19.1336 -19.1336 -19.1336 -19.1336 -18.9469 -18.9469 -18.9469 -18.9469
-11.5813 -11.5813 -11.1761 -11.1761 -0.3451 -0.3451 -0.2446 -0.2446
-0.2446 -0.2446 2.3258 2.3258 2.3499 2.3499 2.3499 2.3499
9.5175 9.5175 9.5262 9.5262 9.5262 9.5262 10.4637 10.4637
Writing output data file Na3ClO.save
init_run : 0.26s CPU 0.66s WALL ( 1 calls)
electrons : 102.09s CPU 104.21s WALL ( 1 calls)
Called by init_run:
wfcinit : 0.00s CPU 0.21s WALL ( 1 calls)
potinit : 0.01s CPU 0.06s WALL ( 1 calls)
Called by electrons:
c_bands : 102.08s CPU 104.20s WALL ( 1 calls)
v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls)
v_h : 0.00s CPU 0.00s WALL ( 1 calls)
v_xc : 0.00s CPU 0.00s WALL ( 1 calls)
newd : 0.03s CPU 0.04s WALL ( 1 calls)
Called by c_bands:
init_us_2 : 0.07s CPU 0.06s WALL ( 272 calls)
cegterg : 93.81s CPU 94.89s WALL ( 337 calls)
Called by sum_band:
Called by *egterg:
h_psi : 53.19s CPU 54.17s WALL ( 5147 calls)
s_psi : 1.58s CPU 1.65s WALL ( 5147 calls)
g_psi : 0.18s CPU 0.17s WALL ( 4538 calls)
cdiaghg : 34.29s CPU 34.15s WALL ( 4810 calls)
cegterg:over : 3.82s CPU 3.84s WALL ( 4538 calls)
cegterg:upda : 3.96s CPU 4.27s WALL ( 4538 calls)
cegterg:last : 1.87s CPU 1.93s WALL ( 801 calls)
cdiaghg:chol : 1.76s CPU 1.93s WALL ( 4810 calls)
cdiaghg:inve : 1.25s CPU 1.29s WALL ( 4810 calls)
cdiaghg:para : 2.25s CPU 2.07s WALL ( 9620 calls)
Called by h_psi:
h_psi:vloc : 48.76s CPU 49.76s WALL ( 5147 calls)
h_psi:vnl : 4.29s CPU 4.24s WALL ( 5147 calls)
add_vuspsi : 1.90s CPU 1.96s WALL ( 5147 calls)
General routines
calbec : 2.38s CPU 2.26s WALL ( 5147 calls)
fft : 0.00s CPU 0.01s WALL ( 19 calls)
ffts : 0.00s CPU 0.00s WALL ( 4 calls)
fftw : 46.17s CPU 47.04s WALL ( 448576 calls)
interpolate : 0.00s CPU 0.00s WALL ( 4 calls)
davcio : 0.14s CPU 0.20s WALL ( 544 calls)
Parallel routines
fft_scatter : 15.87s CPU 15.99s WALL ( 448599 calls)
PWSCF : 1m56.99s CPU 2m24.67s WALL
This run was terminated on: 17: 7:39 5Jan2017
=------------------------------------------------------------------------------=
JOB DONE.
=------------------------------------------------------------------------------=