LDA density files for the Hirschfeld atomic charge analysis
Posted: Tue Jan 21, 2014 12:13 am
Hi all,
I'm looking for atomic electron density profiles and found this page: http://www.abinit.org/downloads/all_core_electron
It's very helpful, but the profile for La seems to be missing. Does anyone have any idea where I can get this file or how to generate it?
Thanks a lot!
Yiming
I'm looking for atomic electron density profiles and found this page: http://www.abinit.org/downloads/all_core_electron
It's very helpful, but the profile for La seems to be missing. Does anyone have any idea where I can get this file or how to generate it?
Thanks a lot!
Yiming