Hello, In ver 23.2 (or any version), is there a command by which an interrupted or stopped band structure calculation "x lapw1 -band" can be resumed? By this, I mean calculating only the k-points that were not completed in the stopped calculation. If so, how do I do this? Is it applicable to parallel jobs as well?
I know that SCF calculations will resume from the last completed cycle if the -NI flag is used, but I can't find something similar for band structure computations. I searched the userguide and list archive and could not find anything. Thank you! Daniel Straus Assistant Professor Department of Chemistry Tulane University 5088 Percival Stern Hall 6400 Freret Street New Orleans, LA 70118 (504) 862-3585 http://straus.tulane.edu/
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