Dear Paolo, Thank you very much. It is very helpful.
Trinh On 3/5/13 12:06 AM, "Paolo Giannozzi" <giannozz at democritos.it> wrote: >On Mon, 2013-03-04 at 20:47 +0000, Vo, Trinh (388C) wrote: > >> I have a question about how wave function files are updated during one >> iteration of scf calculation. For my current system, I see for every 6 >> min, the time stamp of all the wave function files are changed, but >> the size of each file are the same. > >for each k-point, wavefunctions from previous scf iteration are read, >diagonalized, written to file (files in parallel execution). >The file is direct-access, so its size is fixed once all initial >wavefunctions are written > >P. >-- >Paolo Giannozzi, IOM-Democritos and University of Udine, Italy > > >_______________________________________________ >Pw_forum mailing list >Pw_forum at pwscf.org >http://pwscf.org/mailman/listinfo/pw_forum
