what's involved in getting parabands to run with jdftx for molecules?

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mike marchywka

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Oct 13, 2025, 2:13:31 PM (14 days ago) Oct 13
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My overall interest was looking at response of molecules maybe with
50 atoms including a few metals like Ag, Sn, or Pb. A fully relativistic
approach is probably needed. I don't care about a dielectric constant
vs frequency plot and just need some indication of the nature of 
electronic response to EUV radiation in the 10-20 nm range.
Details of excitons may end up being important but its mostly exploratory
interest now. 

Is there some other implementation of the stochastic thing in c or c++
that may be a useful starting point?

Thanks.

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