Restarting a job using the WAVECAR file
Posted: Thu May 07, 2009 1:31 pm
Dear VASP users,
I'm used to restarting my LDA+U calculations using the WAVECAR file (ISTART = 1 ; ICHARG = 0).
When restarting a calculation, VASP uses the same initial onsite density matrices as the previous run. Does VASP keep the onsite density matrices only during the first electronic step? If yes, I would like to know whether it is possible to keep the density matrices during more than one electronic step.
Thank you for your answers.
Regards.
I'm used to restarting my LDA+U calculations using the WAVECAR file (ISTART = 1 ; ICHARG = 0).
When restarting a calculation, VASP uses the same initial onsite density matrices as the previous run. Does VASP keep the onsite density matrices only during the first electronic step? If yes, I would like to know whether it is possible to keep the density matrices during more than one electronic step.
Thank you for your answers.
Regards.