Explanation of " Charge density could not be read from file CHGCAR for ICHARG>10 " error message
Posted: Tue Oct 25, 2011 9:52 pm
Not a bug (but error message could be improved)
Also says " WARNING: dimensions on CHGCAR file are different "
It took me a while to find the source of this issue, and so I wanted to document it somewhere for others to find. When doing a band structure calculation, the precision and the energy cutoff must be the same as in the self-consistent run that generated the CHGCAR you are going to use in for band structure run.
Also says " WARNING: dimensions on CHGCAR file are different "
It took me a while to find the source of this issue, and so I wanted to document it somewhere for others to find. When doing a band structure calculation, the precision and the energy cutoff must be the same as in the self-consistent run that generated the CHGCAR you are going to use in for band structure run.