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- Fri Aug 03, 2018 10:38 pm
- Forum: Link to other codes
- Topic: fully-relativistic PP generation using ATOMIC. [SOLVED]
- Replies: 8
- Views: 37808
Re: fully-relativistic PP generation using ATOMIC. [SOLVED]
I think for elements Ge, Sb, Te, the PBEsol version of fully-relativistic UPF pseudos on pseudo dojo are of the wrong format (the file extension is ".upf", but the content is of the psp8 format). This is the case for both standard and stringent pseudos.