[Pw_forum] What are 'forrtl: severe (59):' means

[Giovanni Cantele]

?? wrote:
> Dear All,
>     Thanks for your help before but I still couldn't work yet.There is
> something wrong in my input and I tried to find out but failed.
>     Here is the error message:
>
>    forrtl: severe (59): list-directed I/O syntax error, unit -5, file
> Internal List-Directed Read
> Image              PC                Routine            Line
> Source
> pw.x               4000000000CEFA50  Unknown               Unknown  Unknown
>
> ATOMIC_SPECIES
> Ba Ba.pw91-nsp-van.UPF
> Ni  NiUS.RRKJ3.UPF
> As As.gon.UPF
>
>
>   
maybe, the card "ATOMIC_SPECIES" is uncorrectly specified, because 
atomic masses are missing.

 From Doc/INPUT_PW :

ATOMIC_SPECIES
X Mass_X PseudoPot_X
Y Mass_Y PseudoPot_Y
Z Mass_Z PseudoPot_Z

Mass_X,Y,Z,... *MUST* be specified even though they are not needed in 
your calculation, I think.


Giovanni


-- 



Dr. Giovanni Cantele
Coherentia CNR-INFM and Dipartimento di Scienze Fisiche
Universita' di Napoli "Federico II"
Complesso Universitario di Monte S. Angelo - Ed. 6
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Phone: +39 081 676910
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E-mail: giovanni.cantele at cnr.it
        giovanni.cantele at na.infn.it
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