[CPMD-list] cant run Vanderbilt PPs

[JOSE LUIS RICARDO-CHAVEZ]

Natasa Mateljevic wrote:

>Hi, 
>I still cant get thsi to work I get the following error:
>curie1% cpmd.x  surface2o ~/Vanderbilt/uspp-734/Pot > surface2o.out
>PGFIO-F-219/unformatted read/unit=22/attempt to read/write past end of 
>record.
> File name = /home/natasa/Vanderbilt/uspp-734/Pot/006-C-gpbe--bm.uspp    
>unformatted, sequential access   record = 7
> In source file ./readvan.f, at line number 417
>Natasa
>
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>  
>
Dear Natasa

the error message means that either the file

/home/natasa/Vanderbilt/uspp-734/Pot/006-C-gpbe--bm.uspp

does not exist or it is not the correct one.

Unless you changed the name and the location of the pseudopotential files they should be

/home/natasa/Vanderbilt/uspp-734/Pot/006-C-gpbe--bm/c_ps.uspp

and

/home/natasa/Vanderbilt/uspp-734/Pot/008-O/008-O-gpbe--bm/o_ps.uspp

Regards,

 - Jose Luis


-- 
Jose Luis RICARDO-CHAVEZ               Tel. +33-5-61-55-68-33 
Laboratoire de Physique Quantique      Fax  +33-5-61-55-60-65
Universite Paul Sabatier                      
118 route de Narbonne
F-31062 Toulouse, France

e-mail: ricardo at irsamc1.ups-tlse.fr