[Pw_forum] input and output of average.x
mashiat alaaii
mashiatalaaii at gmail.com
Thu Oct 13 18:57:48 CEST 2011
Dear Gabriele,
Thank you very much for your help and answer.
Please let me ask you the last question in this regard. This is the input
that I use for getting psi^2 on parallel planes:
&INPUTPP
prefix = A' ,
outdir = '' ,
filplot = 'Apsi' ,
plot_num = 7,
kpoint=1,
kband=200,
/
&PLOT
nfile = 1 ,
filepp(1) = 'A',
weight(1) = 1.0,
fileout = 'Apsi.dat'
iflag = 2 ,
output_format = 2 ,
e1(1) = 1,
e1(2) = 0,
e1(3) = 0,
e2(1) = 0,
e2(2) = 1,
e2(3) = 0,
x0(1) = 1,
x0(2) = 1,
x0(3) = 1,
nx = 100 ,
ny = 100 ,
/
I thought by changing the x0(3) from zero to highest value of structure in z
direction, I could get psi^2 on parallel planes.
I use the following input for average.x:
1
Apsi
1
1000
3
3
however when I change x0(3), the output of average remains the same. Does it
make sense? If positive, how could I get psi^2 on planes?
Thank you very much for your help; I really really appreciate it.
M Alaaii
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20111013/6b118eb4/attachment.htm
More information about the Pw_forum
mailing list