Any converged result is valid. Any method that works to obtain a converged result is correct - some methods may be faster than others.
--- Professor Laurence Marks Department of Materials Science and Engineering Northwestern University http://www.numis.northwestern.edu Corrosion in 4D http://MURI4D.numis.northwestern.edu Co-Editor, Acta Cryst A "Research is to see what everybody else has seen, and to think what nobody else has thought" Albert Szent-Gyorgi On Jul 5, 2015 07:10, "Seyyed Amir Abbas Emami" <a.a.em...@birjand.ac.ir> wrote: > ​dear Gavin > > On what you said about clmextrapol_lapw when only lattice parameter is > changed ( i mean the procedure that you mentioned): > I read somewhere, that after run save_lapw , just changing the lattice > parameter to new one and running run_lapw, is sufficient. I do that and > the new lattice parameter converge very fast. Now i am not sure about the > results. Is this method correct and is the result valid? > > Sincerely. >
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