[Pw_forum] Wave function files

[Paolo Giannozzi]

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