ABINIT Discussion Forums

Dear Friends,

I am trying to do a phonon calculation at a single q-point. Due to the walltime limit, my calculation only finished halfway before it exits (it did crash, just be terminated). Does anybody know how to restart a phonon calculation ? I have all wavefunctions files saved. I saw from the ABINIT manual that one can restart a MD calculation, but the case for phonon calculations is not specified. Any suggestion will be very much appreciated.

Thank you,

Yansun Yao

Canadian Light Source
101 Perimeter Road,
Saskatoon, SK S7N 0X4

Dear Yansun,

I think it's possible to do that. Please, read the description of irdwfk and related variables at:

http://www.abinit.org/documentation/helpfiles/for-v7.0/input_variables/varfil.html#irdwfk

Best regards,

Igor L.