Thank you very much, I could not make my way through the fhi98pp from the homepage and stayed stuck within proprietary FHI-aims section.
I will have a look at this renormalization...
François
Search found 2 matches
- Tue Mar 15, 2011 10:44 am
- Forum: Other tools and postprocessing in ABINIT
- Topic: LDA density files for the Hirschfeld atomic charge analysis
- Replies: 2
- Views: 3909
- Mon Mar 07, 2011 3:21 pm
- Forum: Other tools and postprocessing in ABINIT
- Topic: LDA density files for the Hirschfeld atomic charge analysis
- Replies: 2
- Views: 3909
LDA density files for the Hirschfeld atomic charge analysis
Hello abinit.org ! Does somebody know a little more about the .AE files presented here : m ? My concern is about the values and units printed within those files : it seems that 1st column is distance to nucleus and 2nd one rho values, however those are not expressed as atomic units. By the way, what...