[Re:02] calculation of LMD energy

Posted on : March 20, 2018 (Tue) 04:11:35

by fati

hello Dr.Gomi
can you tell me please if that input for fmg is correct or not:

../data/CoMnTiSi 1 2 3 4
../data/CoMnTiSi_lmd 1 -1 2 3 -1 4