your work around means you just use a psp8 pseudo. All psp8 ONCVPSP pseudos are a vailable at www.pseudo-dojo.org so there is no need to regenerate them.
the direct use of the psml format in abinit is not fully developed yet
Search found 4 matches
- Wed Aug 15, 2018 10:06 am
- Forum: Link to other codes
- Topic: problem reading xml ONCV PSPs in abinit-8.8.2?
- Replies: 2
- Views: 5489
- Wed Aug 15, 2018 10:00 am
- Forum: Link to other codes
- Topic: fully-relativistic PP generation using ATOMIC. [SOLVED]
- Replies: 8
- Views: 37809
Re: fully-relativistic PP generation using ATOMIC. [SOLVED]
thanks for reporting, I have no idea what went wrong but the fix is underway.
- Wed Aug 15, 2018 9:59 am
- Forum: Link to other codes
- Topic: Relativistic pseudopotentials and PAW datasets up to Z=118 ?
- Replies: 1
- Views: 2891
Re: Relativistic pseudopotentials and PAW datasets up to Z=1
I did once generate Oganesson just for the fun of it. It can be done but it is work and probably nobody is interested. If you have a real project in mind we could discuss.
Best,
Michiel
Best,
Michiel
- Thu May 11, 2017 12:02 pm
- Forum: Link to other codes
- Topic: question about extension_switch in ONCVPSP pseudos
- Replies: 1
- Views: 3198
Re: question about extension_switch in ONCVPSP pseudos
Dear Gregory,
No this is not really normal. I just tested to be really sure and for me the most recent H potential ran with abinit 8.2.2.
is there a difference between the potential you use and the one on pseudo-dojo website?
Michiel
No this is not really normal. I just tested to be really sure and for me the most recent H potential ran with abinit 8.2.2.
is there a difference between the potential you use and the one on pseudo-dojo website?
Michiel