SCAN (usage) and self-consistency

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chrstphr
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SCAN (usage) and self-consistency

#1 Post by chrstphr » Sun Jun 09, 2019 10:40 am

I just recently started first calculations using the SCAN metaGGA. To do so, I made sure the PBE-POTCARs used do contain the necessary information by invoking "grep kinetic POTCAR" and added "METAGGA = SCAN" in my INCAR file as suggested in the VASP Wiki.
Since these are my very first computations using SCAN, I naturally skimmed through their output looking for new related information by doing, among other things, "grep -i metagga OUTCAR" which results in:
METAGGA = SCAN LMAXTAU = 6 LMIXTAU = F
METAGGA= F non-selfconsistent MetaGGA calc.
Should I be concerned by the second line stating I do non-selfconsistent calculations irrespective of my (I)ALGO choice? Or is that just acknowledge the (default) LMIXTAU = F in the line above noting it ignores kinetic contributions in the mixing scheme and I can safely proceed as long as my calculations do not suffer from electronic convergence issues?

Thanks in advance and best regards!

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