[Pw_forum] Running nscf without altering wfc and charge density files

[stewart at cnf.cornell.edu]

Hi everyone, 

I am setting up a process where I will need to run several nscf calculations 
for band energy values for arbitrary k-points using the wfc and charge 
density from an initial scf calculation.  However, I want to insure that the 
nscf runs do not write over the original wfc and charge density files so I 
can do subsequent nscf calculations.  Is there a way to do this with pwscf?  
Or do I need to keep a storage directory with the original results and copy 
them over after every run? 

Thanks, 

Derek
 

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Derek Stewart, Ph. D.
Scientific Computation Associate
250 Duffield Hall
Cornell Nanoscale Facility (CNF)
Ithaca, NY 14853
stewart (at) cnf.cornell.edu
(607) 255-2856