Search found 3 matches
- Wed Aug 31, 2016 2:35 pm
- Forum: Bader
- Topic: there is no AECCAR2 file generated when I did the Bader charge analysis
- Replies: 1
- Views: 12409
there is no AECCAR2 file generated when I did the Bader charge analysis
when I did bader charge analysis, I set "LAECHG=.T." in my INCAR. But there was no AECCAR2 file when the calculation finished. Interestingly, AECCAR0 and AECCAR1 files generated. What's the reason? Thanks! Below is my INCAR: # Start Parameter for this Run PREC = Normal ISTART = 0 ICHARG = ...
- Wed Apr 22, 2015 1:34 am
- Forum: VTSTTools
- Topic: which VTST version to compiled with VASP
- Replies: 7
- Views: 16827
Re: which VTST version to compiled with VASP
[quote="graeme"]you can build with the latest version of vtst[/quote] Another question. To build the code, the VASP makefile needs to be changed, but I couldn't find the makefile, in my directory vasp-code/vasp.5.2, there are just makefile.* like makefile.dec, makefile.hp, etc, so which fi...
- Tue Apr 21, 2015 2:04 am
- Forum: VTSTTools
- Topic: which VTST version to compiled with VASP
- Replies: 7
- Views: 16827
Re: which VTST version to compiled with VASP
[quote="graeme"]no problem. Here is a link to all the older versions
http://theory.cm.utexas.edu/vtsttools_o ... tcode_old/[/quote]
hello. My vasp version is 5.2, and which version of vtst code can I build into the vasp?
http://theory.cm.utexas.edu/vtsttools_o ... tcode_old/[/quote]
hello. My vasp version is 5.2, and which version of vtst code can I build into the vasp?