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
