[Pw_forum] Number of plane waves in output files

[Rose Mary]

Hi Quantum espresso users,

I would like to know how do we find the total number of plane waves from the
output file of quantum espresso?Is it the term '* npwx = 1887' *for the
following output file which has been given as one of the examples of
 Quantum espresso.
*The output*
Program PWSCF v.2.0 starts ...
Today is 16Feb2004 at 16: 6:28
Ultrasoft (Vanderbilt) Pseudopotentials
Current dimensions of program pwscf are:
ntypx =10 npk =40000 lmax = 3
nchix = 6 ndim = 2000 nbrx = 8 nqfm = 8
bravais-lattice index = 4
lattice parameter (a_0) = 4.2470 a.u.
unit-cell volume = 1061.4448 (a.u.)^3
number of atoms/cell = 12
number of atomic types = 1
kinetic-energy cutoff = 22.0000 Ry
charge density cutoff = 88.0000 Ry
convergence threshold = 1.0E-06
beta = 0.7000
number of iterations used = 8 plain mixing
Exchange-correlation = PZ (1100)
iswitch = 0celldm(1)= 4.247000 celldm(2)= 0.000000 celldm(3)= 16.000000
celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000
crystal axes: (cart. coord. in units of a_0)
a(1) = ( 1.000000 0.000000 0.000000 )
a(2) = ( -0.500000 0.866025 0.000000 )
a(3) = ( 0.000000 0.000000 16.000000 )
reciprocal axes: (cart. coord. in units 2 pi/a_0)
b(1) = ( 1.000000 0.577350 0.000000 )
b(2) = ( 0.000000 1.154701 0.000000 )
b(3) = ( 0.000000 0.000000 0.062500 )
PSEUDO 1 is Be (vbc) zval = 2.0 lmax= 1 lloc= 1
i= 1 2 3
core
alpha = 0.99964 0.0000
a(i) = 1.0000 0.0000
l = 0
alpha = 1.7068 0.0000 0.0000
a(i) = 5.4710 0.0000 0.0000
a(i+3)= -1.6312 0.0000 0.0000
l = 1
alpha = 0.78031 0.0000 0.0000
a(i) = -1.6972 0.0000 0.0000
a(i+3)= 0.48457 0.0000 0.0000
nonlinear core correction: rho(r) = ( a + b r^2) exp(-alpha r^2)
a = 0.95153E-01
b = 0.24127
alpha= 2.7594atomic species valence mass pseudopotential
Be 2.00 1.00000 Be( 1.00)
12 Sym.Ops. (with inversion)
Cartesian axes
site n. atom positions (a_0 units)
1 Be tau( 1) = ( 0.0000000 -0.2886751 4.3596671 )
2 Be tau( 2) = ( 0.0000000 0.2886751 3.5484854 )
3 Be tau( 3) = ( 0.0000000 -0.2886751 2.7546560 )
4 Be tau( 4) = ( 0.0000000 0.2886751 1.9655547 )
5 Be tau( 5) = ( 0.0000000 -0.2886751 1.1789015 )
6 Be tau( 6) = ( 0.0000000 0.2886751 0.3929197 )
7 Be tau( 7) = ( 0.0000000 -0.2886751 -0.3929197 )
8 Be tau( 8) = ( 0.0000000 0.2886751 -1.1789015 )
9 Be tau( 9) = ( 0.0000000 -0.2886751 -1.9655547 )
10 Be tau( 10) = ( 0.0000000 0.2886751 -2.7546560 )
11 Be tau( 11) = ( 0.0000000 -0.2886751 -3.5484854 )
12 Be tau( 12) = ( 0.0000000 0.2886751 -4.3596671 )number of k points= 30
gaussian broad. (ryd)= 0.0500 ngauss = 1
cart. coord. in units 2pi/a_0
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0078125
k( 2) = ( 0.0625000 0.0360844 0.0000000), wk = 0.0468750
k( 3) = ( 0.1250000 0.0721688 0.0000000), wk = 0.0468750
k( 4) = ( 0.1875000 0.1082532 0.0000000), wk = 0.0468750
...........................................................
......... . .. ........... ......... ......... . . .. ..
k( 27) = ( 0.2500000 0.4330127 0.0000000), wk = 0.0468750
k( 28) = ( 0.3125000 0.4690971 0.0000000), wk = 0.0937500
k( 29) = ( 0.3750000 0.5051815 0.0000000), wk = 0.0468750
k( 30) = ( 0.3125000 0.5412659 0.0000000), wk = 0.0468750
G cutoff = 40.2057 ( 14795 G-vectors) FFT grid: ( 16, 16,216)
nbndx = 80 nbnd = 20 natomwfc = 12* npwx = 1887--------------Is this the
number of plane wave in the calculation?*
nelec = 24.00 nkb = 12 ngl = 94
.
Best regards
Rose Mary
Masters student
semiconductor Physics
Belgium
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