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Breakpoint continued calculation

Posted: Tue Dec 20, 2011 9:42 am
by Paul
Hi ,
Because of power failure, the program is killed before the end of the calculation. I want to continue to the results before, how should I do ?
Thanks~





Paul

Re: Breakpoint continued calculation

Posted: Mon Jan 02, 2012 3:08 pm
by nleconte
Check the manual for variables restartxf (using the _HIST file), irdden/irdwfk/... (using _DEN, _WFK, ... files) or getden/getwfk/... (if using multiple datasets). Don't forget to rename density and wavefunction files to have them recognized by your .files file.