Author Topic: SCF calculation during DOS calculation  (Read 2272 times)

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Offline Manish95

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SCF calculation during DOS calculation
« on: January 30, 2019, 07:21 »
I have optimized the geometry of a 5x5 MoS2 monolayer supercell with a Sulfur vacancy. Now I need to find out its DOS, do I need to perform the SCF iteration again?

Offline Ulrik G. Vej-Hansen

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Re: SCF calculation during DOS calculation
« Reply #1 on: January 30, 2019, 09:58 »