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 ################################ 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
