[Pw_forum] MD-GIPAW problem

Paolo Giannozzi paolo.giannozzi at uniud.it
Mon Mar 31 22:01:28 CEST 2014

On Mon, 2014-03-31 at 20:40 +0200, Aleksander Jaworski wrote:

>      Error in routine read_pseudo_gipaw (1): 
>      Reading pseudo file 

this cannot have any relation whatsover with the cristalline
vs glass character of the system. It may be triggered by 
some specific input, but it doesn't distinguish a glass from
a crystal.

> I would really appreciate if more experienced users could take a look on
> the input and share with me hints and suggestions how to solve this
> problem.

$ grep read_pseudo_gipaw */*.f90 */*/*.f90
Modules/read_upf_v1.f90:     CALL read_pseudo_gipaw ( upf, iunps )
Modules/read_upf_v1.f90:SUBROUTINE read_pseudo_gipaw ( upf, iunps )
Modules/read_upf_v1.f90:100 CALL errore ( 'read_pseudo_gipaw', 'Reading
pseudo file', 1 )

In Modules/read_upf_v1.f90, line 654 ff:
  CALL scan_begin ( iunps, "GIPAW_FORMAT_VERSION", .false. )
  READ ( iunps, *, err=100, end=100 ) version
Apparently after GIPAW_FORMAT_VERSION there is nothing, or something


> best regards,
> Aleksander Jaworski
> PhD student
> Physical Chemistry Division
> Stockholm University
> _______________________________________________ Pw_forum mailing list Pw_forum at pwscf.org http://pwscf.org/mailman/listinfo/pw_forum

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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