run the dimer from half way
Posted: Sat Mar 10, 2007 9:07 am
Dear Administrator,
Due to unexpected causes if the dimer run stops, how can we start the calculation without loosing the half run?
Is it to start with the CONTCAR making it a POSCAR and making NEWMODECAR as MODECAR?
Am I right? Or is there some thing else?
Thank you for all your support
Due to unexpected causes if the dimer run stops, how can we start the calculation without loosing the half run?
Is it to start with the CONTCAR making it a POSCAR and making NEWMODECAR as MODECAR?
Am I right? Or is there some thing else?
Thank you for all your support