[Pw_forum] Reading "rho" file
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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