[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
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