[Pw_forum] Data arrangement in cube file generated by QE

[reza vatan]

Dear all,

I'm using Quantum Espresso to generate electrostatic potential map in a
cube file format, but I'm not sure how the grid data  is arranged in the
generated cube file. Could any one please help me to understand these data
arrangement?

Following is the typical format of the cube file generated by QE.

~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
. . .
. . .
. . .
0.64081E+00  0.61382E+00  0.47140E+00  0.26001E+00 -0.21555E-02 -0.28997E+00
 -0.38866E+00 -0.24394E+00  0.57880E-02  0.22743E+00  0.40169E+00
0.53083E+00
  0.60580E+00  0.65390E+00  0.69301E+00  0.69229E+00  0.65015E+00
0.54336E+00
  0.34993E+00  0.50902E-01 -0.44137E+00 -0.96727E+00 -0.11918E+01
-0.92172E+00
 -0.37681E+00  0.13135E+00  0.38158E+00  0.55621E+00  0.55922E+00
0.46486E+00
  0.34838E+00  0.27159E+00  0.27171E+00  0.34192E+00  0.43531E+00
0.53276E+00
  0.59288E+00  0.61644E+00  0.61473E+00  0.60359E+00  0.60592E+00
0.60949E+00
  0.62433E+00  0.64255E+00  0.64860E+00
  0.70080E+00  0.67077E+00  0.61035E+00  0.47476E+00  0.34814E+00
0.22304E+00
  0.17583E+00  0.15350E+00  0.20507E+00  0.30341E+00  0.40159E+00
0.49777E+00
  0.59071E+00  0.63163E+00  0.66700E+00  0.67871E+00  0.62231E+00
0.50685E+00
  0.26470E+00 -0.17819E+00 -0.94059E+00 -0.18196E+01 -0.22336E+01
-0.17183E+01
 -0.82710E+00 -0.81849E-01  0.30226E+00  0.50429E+00  0.46462E+00
0.30476E+00
  0.11341E+00 -0.50208E-01 -0.57036E-01  0.88787E-01  0.29274E+00
0.45146E+00
  0.57254E+00  0.60594E+00  0.64278E+00  0.65667E+00  0.67023E+00
0.68294E+00
  0.67795E+00  0.68056E+00  0.70079E+00
  0.73881E+00  0.69610E+00  0.67892E+00  0.60824E+00  0.53767E+00
0.43530E+00
  0.32806E+00  0.23262E+00  0.21444E+00  0.22629E+00  0.29974E+00
0.41133E+00
  0.53259E+00  0.60957E+00  0.65101E+00  0.66303E+00  0.60060E+00
0.48269E+00
  0.23573E+00 -0.23816E+00 -0.10918E+01 -0.21159E+01 -0.26154E+01
-0.19800E+01
 -0.95826E+00 -0.17024E+00  0.28844E+00  0.45849E+00  0.36552E+00
0.13739E+00
 -0.20048E+00 -0.49471E+00 -0.50082E+00 -0.23353E+00  0.12178E+00
0.36455E+00
  0.56008E+00  0.62601E+00  0.67359E+00  0.70136E+00  0.69873E+00
0.71362E+00
  0.71695E+00  0.72155E+00  0.73383E+00
 . . .
 . . .
 . . .
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~


Thanks in advances,
Reza
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