I notice "It is strongly recommended to perform standard DFT calculations first, and to start HF type calculations from a preconverged WAVECAR file." in VASP manual.
However, if the result of HSE directly self-consistent calculation is different from "start HF type calculations from a preconverged WAVECAR file.", which result is reliable?
By the way, whether to "perform standard DFT calculations first," is just to save time in calculation?
HSE calculation
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ddoliufeng
HSE calculation
Last edited by ddoliufeng on Sun Sep 01, 2013 10:28 am, edited 1 time in total.
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support_vasp
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Re: HSE calculation
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