[Pw_forum] Failed in tests and examples

[Paolo Giannozzi]

On Wed, Aug 26, 2015 at 5:26 AM, evan <ewan26 at 126.com> wrote:

*Thank you for your kind reply. **In the directory of
> espresso-5.2.0/PW/tests, after typing the following commands,*
>
>
>
> $ pw.x < b3lyp-h2o.in >& out.log
>

"./check-pw.x,j b3lyp-h2o.in" is the correct command. It sets the directory
where pseudopotential files are. Likely, the code is looking somewhere else
and finding incorrect PP files.

     Error in routine read_ncpp (2):
>
>      Wrong nlc or nnl
>

The meaning of “SLA  PZ NOGX NOGC” is explained in the header of
Modules/funct.f90

Paolo


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