Hello everyone,
Recently I make a small bash script to run a lot of small pw.x
calculation one by one.
But all of them use same outdir and wfcdir. They are temporary
directories and I don't need them ( I only need scf energy, so stdout is
enough ). Is it necessary to delete them before starting a new calculation ?
Because I have done a lot of calculation, I would like to verify whether
this will affect the results to determine whether I should modify the script
to restart my calculation again, or just use these result.
Best regards,
Wu F
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F, Wu
College of Chemistry and Molecular Engineering
Peking University
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