[Wien] Restarting the calculation

[yanming Ma]

Dear Users,
 
I have a large case with spin-orbit coupling. It will take several days to run a single lapw1 step in SCF calculation. After one lapw1 step finishes, I met a limited memory problem (i.e. the assigned memory is less than the one during the case running ) when lapwso is running. So the program stoped due to the memory problem. My question is how can I restart the SCF right where it stoped after I increase the memory? Is this possible?
 
I will highly appreciate your help.
 
 


Yanming Ma Ph.D
Steacie Institute for Molecular Sciences,
National Research Councils of Canada,
Ottawa, Ontario
K1A 0R6
Canada

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