Search found 3 matches
- Mon Jul 26, 2010 11:41 pm
- Forum: Link to other codes
- Topic: Pseudopotentials, OPIUM, and lmax
- Replies: 1
- Views: 3947
Pseudopotentials, OPIUM, and lmax
Recently I tried my hand at generating my own pseudopotentials for a tin oxide (SnO2) calculation. I started with trying ionized states, but quickly realized that I first needed to at least match the accuracy of the pseudopotentials offered on the website with neutral atoms before graduating to more...
- Wed Jun 23, 2010 5:26 pm
- Forum: Other tools and postprocessing in ABINIT
- Topic: Properly outputting data to Molekel
- Replies: 4
- Views: 5619
Re: Properly outputting data to Molekel
Thanks very much!
-DCellucci
-DCellucci
- Mon Jun 14, 2010 7:49 pm
- Forum: Other tools and postprocessing in ABINIT
- Topic: Properly outputting data to Molekel
- Replies: 4
- Views: 5619
Properly outputting data to Molekel
Firstly I'd like to say that learning how to use abinit has been one of the best experiences I've ever had with a scientific code. The tutorials have been straightforward and helpful, and I've found myself returning to them again and again for reference. I've had success using cut3d to convert the d...