[Re:02] Queries about the parameter file

Posted on : July 28, 2016 (Thu) 15:35:22

by Ru

Dear Pro.Akai,

As far as I have seen in the calcuation examples given in the installation pack, it seems that there is still a potential file indicated in the input parameter file when conducting the "go" function.

The calculation example is shown as the follows:

go data/feni
bcc 5.3056 , , , , , ,
0.001 1.2 nrl mjw mag init
update 4 80 0.024
FeNi 2 0 0 2 26 60
28 40
1
0 0 0 FeNi

Besides, according to the procedure you stated, after obtaining the "go" calculation result, will it directly serve as the potential file for the "dos" calculation or further revision on the file is needed in order to make it applicable?

Many thanks,

Ru