fmg can not create a potential data.

Posted on : November 28, 2020 (Sat) 20:06:35

by Shuotong Zong

I calculate the fe_lmd potential data as follows
./specx <in/fe> out/fe
cd util
gfortran -o fmg fmg.f
cp inputsample fe.fmg
./fmg < fe.fmg

The fe.fmg file is:
../data/fe 1
../data/fe_lmd 1 -1

when I do the "./fmg < fe.fmg" code, the codes appear in the screen:
na,nb 1 2
in 1
ni 1 1
ip1 1 2
ip2 2 1
file to be accessed=../data/fe

But no fe_lmd potential file appears in ../data folder.

By http://kkr.issp.u-tokyo.ac.jp/bbs/thread.php?id=215 we can know that the fmg program generates a new initial potential file for lmd calculation from the potential file generated by the ferromagnetic calculation.

I do the fmg program, but no potential file for lmd calculation appears.

It is correct for my operation?