[Wien] force minimization

shamik chakrabarti shamikphy at gmail.com
Fri Feb 12 09:36:47 CET 2010


Dear Peter Blaha Sir and Wien2k users,


                                I was running the force minimization for a
structure. Now due to power failure we have to stop the programme at the
stage when it had already calculated force for two structures and was
calculating for the third structure. My question is:

            *What we should do to run the calculation from where it was
stoped? *

if we rename the case_3.struct to case.struct and run force minimization
again then probably we can save the time a bit but then we lost the SCF
calculation for the 3rd structure!

Thanks in advance.

regards,

Shamik Chakrabarti
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