[Pw_forum] ld1.x and virtual.x compatibility

Paolo Giannozzi giannozz at democritos.it
Sun May 20 18:20:55 CEST 2012

On May 19, 2012, at 17:52 , Marino Vetuschi Zuccolini wrote:

> I generated the Al PP with the input below with ld1.x [...] and I  
> used it in virtual.x,
> but after an error

an error where? in virtual.x?

> I compared the new one Al PP file with one distributed with  
> espresso [...]
> The structure of the <PP_*> sections are clearly different.

IIRC newer PP are written to a different version of the file format
(there is a tag <UPF version="2.0.1"> or something like this)
that virtual.x cannot read. You can force the PP file to be
in the old format using option "upf_v1_format" in ld1.x, though

Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222

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