[Pw_forum] Reading "rho" file

Paolo Giannozzi giannozz at nest.sns.it
Mon Apr 3 22:33:47 CEST 2006

On Monday 03 April 2006 16:30, Sergey Lisenkov wrote:

>  I did perform vc-relax calculations using pwscf (cvs version, last week).
> After that I put "startingpot='file'" in my input file and started again.
> But I immediately got an error: [..]
>      from io_pot : error #         2 
>      error reading bfo-noU-pberho
> [...] Here in input file prefix=bfo-noU-pbe .So, you can see that code 
> try to read file which is "prefixrho", not "prefix.rho"

well, actually it is the error message that is wrong! erroneous error...

> I tried to restart using stable 3.0 version, but the result is the same. 
> Is it a problem of the code?

quite possible, but why do you want to restart from the potential on file?
If you perform a dynamics run, extrapolation of the potential from preceding 
steps should be done automatically.

Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
Piazza dei Cavalieri 7      I-56126 Pisa, Italy

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