[Pw_forum] PB mixing PP produced with ld1 with virtual.x

Lorenzo Paulatto paulatto at sissa.it
Thu Jun 12 18:11:53 CEST 2008


On Thu, June 12, 2008 13:20, Jérémie Teyssier wrote:
>       from scan_begin : error #         1

Are you using version QE 4.0 or 3.2.3?

In the former case be sure to generate the pseudopotentials with the
option upf_v1_format=.true. in inputp namelist, as virtual.x has not been
updated (and does not update itself) to support newer pseudopotential
format version introduced in QE 4.0.

bye

-- 
Lorenzo Paulatto
SISSA  &  DEMOCRITOS (Trieste)
+39 040 3787 511
http://people.sissa.it/~paulatto/


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