[Wien] Restoring SCF

Stefaan Cottenier Stefaan.Cottenier at fys.kuleuven.be
Sun Dec 31 09:59:43 CET 2006


> I've been changing the kmesh (100, 300, ... ) in my case, and i have been
> saving every SCF calculation in its own directory. Now i want to calculate
> DOS and band structure for some of this calculations. Should i only restore
> the calculation and run DOS for example? or i have to calculate SCF again? i
> found in this mail list that i must run one iteration of the scf again. Is
> this correct?

Yes. Restore one case (probably the most accurate one, with densest  
k-mesh), run one iteration (to re-create the necessary temporary  
files) and produce the DOS.

Stefaan


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