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.
Restarting a job using the WAVECAR file
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boris
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Restarting a job using the WAVECAR file
Last edited by boris on Thu May 07, 2009 1:31 pm, edited 1 time in total.
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support_vasp
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Re: Restarting a job using the WAVECAR file
Hi,
We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.
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