[Pw_forum] How to read the output of pp.x?

Jing Wang ffyuyuzaoa at gmail.com
Wed Dec 17 16:59:22 CET 2014

Hi everyone,

I'm really confused about how can I read the local potential out from the
scf calculation. I used pp.x, plot_num=1 to extract the scf potential of
the the system, however I can't really under stand the output? Should it
show the potential in cofficients of G-vectors? I really have no ideas what
these numbers are (the main part have 5 columns of numbers )..

Thank you very much for any suggestions!

Head of the output is like this:

      25      25     100      25      25     100       2       1
     4        4.64900000      0.00000000      4.00000000
0.00000000      0.00000000      0.00000000
      153.2912575334        4.0000000000       70.0000000000     1
   1   C     4.00
   1       0.000000000    0.000000000    0.000000000    1
   2       0.500000000   -0.288675135    0.000000000    1
  3.248268856E+00  3.159870688E+00  2.515974539E+00  6.186557012E-01
 -3.866568628E+00 -3.274420891E+00 -2.365272143E+00 -2.086628582E+00
 -1.918992011E+00 -1.927145835E+00 -1.943940931E+00 -1.943940931E+00
 -1.918992010E+00 -1.945051309E+00 -2.086628581E+00 -2.365272143E+00
 -3.866568627E+00 -2.154636041E+00  6.186557014E-01  2.515974539E+00
  3.159870688E+00  3.159870688E+00  2.802339131E+00  1.452305376E+00
 -3.409639826E+00 -3.654745566E+00 -2.575759384E+00 -2.021392120E+00
 -1.637123367E+00 -1.599819700E+00 -1.588050229E+00 -1.591678304E+00
 -1.599819700E+00 -1.637123366E+00 -1.762140768E+00 -2.021392119E+00
 -3.654745566E+00 -3.409639826E+00 -1.033031298E+00  1.452305376E+00
  2.515974539E+00  2.794920980E+00  2.515974539E+00  1.452305376E+00
 -2.976954364E+00 -3.787496708E+00 -2.827784418E+00 -2.048224903E+00
 -1.488710208E+00 -1.380390580E+00 -1.313398615E+00 -1.296957599E+00
 -1.313398615E+00 -1.380390580E+00 -1.488710208E+00 -1.714196738E+00
 -2.827784418E+00 -3.787496708E+00 -2.976954363E+00 -6.088327142E-01
  6.186557014E-01  1.426203806E+00  1.426203806E+00  6.186557014E-01
 -2.976954363E+00 -3.792558359E+00 -2.995197487E+00 -2.094921250E+00


Jing Wang
Dept. of Physics
Georgia Tech, GA, U.S.A
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