Are your files "Case*" or "case*" ?
What is the name of your directory ?
The capital letter makes a big difference.
Otherwise, I believe you used -f FILEHEAD in a wrong way (and this
option may even not work).
If our directory is called "case" and all your files also start with
Dear Wien2k users,
I have optimized a monoclinic structure with option 7 "vary A, B, C , and gamma
(4D-case) monoclinic lattice". After optimization without any error (using 7 81
1%), I want to obtain lattice parameters. So by running the “parabolfit_lapw”:
parabolfit_lapw -t 2/3/4 -f
2 matches
Mail list logo