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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