[Pw_forum] Restarting cp from pwscf output

Eduardo Ariel Menendez P emenendez at macul.ciencias.uchile.cl
Tue Nov 1 11:59:41 CET 2005


Hello developers,
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.

Is is possible? Is there an special requirement for the input parameters
other than equal cutoffs,nbnd,occupations, and of course, geommetry?

Thank you
Eduardo




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Eduardo A. Menendez Proupin
Department of Physics
Faculty of Science
University of Chile
Las Palmeras 3425
Ñuñoa, Santiago
Chile
Phone: 56+2+978 74 11
http://fisica.ciencias.uchile.cl/~emenendez/



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