I am using VASP 5.4.4. This version (may be earlier version also) has three different executables
vasp_std
vasp_gam
vasp_ncl
vasp_std
vasp_gam
vasp_ncl
But why there are three different executables. Before knowing "why" let us see how/when to use them properly.
- vasp_gam is the version of vasp working at the Gamma point only
- vasp_std is standard version of vasp
- vasp_ncl is for non-collinear calculations for instance to perform fully non-collinear magnetic structure calculations or to include spin-orbit interactions in the calculations
Now to why part:
To answer this question, I need some time.
Also see this related post from official forum.
(this post will be updated further. Keep following this blog).
No comments:
Post a Comment