Page 1 of 1

Li_sv POTCAR for meta_gga

PostPosted: Tue Oct 03, 2017 7:01 am
by saikun
Dear All,

It is stated in the manual that when one does a Meta_GGA calculation one needs to confirm that the kinetic energy density of the core-electrons is in the POTCAR file (by doing a grep ```grep kinetic POTCAR```).

I wish to confirm that for POTCAR with no core electron such as the "Li_sv", it is okay to do a Meta_GGA calculation without the said kinetic energy density.

regards
chung