Search found 3 matches
- Thu Jun 15, 2017 5:09 pm
- Forum: Link to other codes
- Topic: how to generate local pseudopotentials?
- Replies: 0
- Views: 2453
how to generate local pseudopotentials?
Dear developers, Could anyone give me some introduction about the local pseudopotentials. I want to do orbital-free calculations, which need local pseudopotentials. But usually we use non-local pseudopotentials in DFT. Could we change the psp file by hand or change the source file to reach this goal...
- Thu Dec 29, 2016 6:20 pm
- Forum: Link to other codes
- Topic: fully-relativistic PP generation using ATOMIC. [SOLVED]
- Replies: 8
- Views: 37802
Re: fully-relativistic PP generation using ATOMIC. [SOLVED]
Dear Jiayu Dai, I don't know the Atomic generator but you can get fully relativistic pseudopotential with the ONCVPSP generator ( http://www.mat-simresearch.com/ ). This code has been used to generate the latest atomic table of psp of the Abinit web site ( http://www.abinit.org/downloads/pseudodojo...
- Wed Dec 07, 2016 7:12 pm
- Forum: Link to other codes
- Topic: fully-relativistic PP generation using ATOMIC. [SOLVED]
- Replies: 8
- Views: 37802
fully-relativistic PP generation using ATOMIC. [SOLVED]
Dear uses,
I am wondering if it possible to generate fully relativistic pseudopotential using ATOMIC. Since it only includes scale one in the Manuel.
Best wishes.
Jiayu Dai
Physics Dept.
NUDT
I am wondering if it possible to generate fully relativistic pseudopotential using ATOMIC. Since it only includes scale one in the Manuel.
Best wishes.
Jiayu Dai
Physics Dept.
NUDT