Job Restarts : ICHARG = 0 | 1
Posted: Thu Oct 18, 2007 1:32 pm
Hi.
I got a quite simple question (well I guess it's quite simple) about the value I should set to ICHARG when trying to restart a job.
I used to set ICHARG = 1 for restarting a job, but I read on the VASP guide that it wasn't the best way to do, and I was adviced to set ICHARG to 0, so that VASP would read the charge density in the WAVECAR file rather than the CHGCAR file.
Should I then set my ICHARG value to 1 when restarting a job ?
Thanks in advance,
Regards.
Z.
<span class='smallblacktext'>[ Edited ]</span>
I got a quite simple question (well I guess it's quite simple) about the value I should set to ICHARG when trying to restart a job.
I used to set ICHARG = 1 for restarting a job, but I read on the VASP guide that it wasn't the best way to do, and I was adviced to set ICHARG to 0, so that VASP would read the charge density in the WAVECAR file rather than the CHGCAR file.
Should I then set my ICHARG value to 1 when restarting a job ?
Thanks in advance,
Regards.
Z.
<span class='smallblacktext'>[ Edited ]</span>