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In https://www.vasp.at/wiki/index.php/LELF, it states "If LELF is set, NPAR=1 has to be set explicitly in the INCAR file in addition"
Is this still true, and what is the rationale behind this? The ELFCAR is written out even if NPAR is not included in the INCAR (and even writes out if NCORE is set). So, I am trying to understand if this advice is indeed needed.
Hi!
Thanks for reaching out and, yes, this is still true. I just tried it with the newest version of the code and if you do not specify NPAR=1 in the INCAR file, then the code crashes. Even if it doesn't crash, as in your case, it may produce unreliable results.
I have added this issue to our internal issue list. I am not sure if we can remove the restriction of NPAR=1, but at least we can improve the code by producing errors and warnings.