[Pw_forum] Restarting cp from pwscf output

Paolo Giannozzi giannozz at nest.sns.it
Mon Nov 7 15:01:56 CET 2005


On Tuesday 01 November 2005 11:59, Eduardo Ariel Menendez P wrote:

> I was told that now it is possible to do a CP simulation (with cp.x or
> fpmd.x) using the wavefunction file system.wfc produced by pw.x .
> I just did "mv system.wfc fort.91" and launch cp.x, but it did not work.

it is not that simple. It works only with the CVS version, if you
use -D__NEWPUNCH to compile pw.x, if you know what the naming
convention of the directories, ... We are working on it right now

Paolo

-- 
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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