[Pw_forum] SCF errror with the converted pseudopotential

lucking-pine songsong19840614 at gmail.com
Wed Sep 14 13:25:54 CEST 2011


Hi, Paolo
    Thanks for your advice.But the main problem I want to know is if the way
which I converted pseudopotential is right or wrong?And could tell me the
reason? The  information is very few by only reading
atomic_doc/pseudo-gen.pdf.

2011/9/14 Paolo Giannozzi <giannozz at democritos.it>

>
> On Sep 13, 2011, at 16:38 , lucking-pine wrote:
>
> >      from readpp : error #         2
> >      inconsistent DFT read
>
>
> http://www.quantum-espresso.org/user_guide/
> node52.html#SECTION000121060000000000000
> ---
> 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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