Search found 2 matches
- Thu Feb 03, 2011 9:40 pm
- Forum: Other tools and postprocessing in ABINIT
- Topic: Integration of the potential files
- Replies: 1
- Views: 3405
Integration of the potential files
I am interested in using the potential file that is output by abinit for further analysis and I want to make sure that I understand the file and it's contents. Currently when I integrate the contents of the file after multiplying by the proper charge density I still do not arrive at the proper value...
- Wed Nov 24, 2010 11:06 pm
- Forum: Other tools and postprocessing in ABINIT
- Topic: Understanding _DEN and _POT files
- Replies: 0
- Views: 2819
Understanding _DEN and _POT files
Hello! I am currently working with the output from a calculation done on elemental Ag and I have noticed the following and would like to get some input from other abinit users. Integrating the contents of the _POT, _VCX and _VHA files after being formated by cut3d to be a column vector of values doe...