[DFTB-Plus-User] waveplot - memory corruption
Sébastien Nénon
sebnenon at yahoo.fr
Mon Oct 8 09:46:31 CEST 2012
Dear R.Perez Garcia,
I had the same problem. in fact, you should decrease the number of grid
memorized in the waveplot_in.hsd.
By default, it is set to -1, that means that you store in memory the
whole cube file. You can try with 100 or 1000 for exemple. It will
slower the calculation, but you won't have any more memory problems.
Best regards
S. Nénon
More information about the DFTB-Plus-User
mailing list