[Wien] Born charges with hybrids?

[Peter Blaha]

I'm pretty sure this is pretty easy:

After a regular   run -hf  calculation, copy the vectorhf files to 
vector (maybe also the same for the energy files, but I don't know if 
they are actually used) and run
berrypi -l

This should use the present case.vector files  and since these are now 
from the hybrid calculation, .....



Am 10.08.2020 um 23:00 schrieb Laurence Marks:
> Has anyone run across calculations of Born charges using hybrids (e.g. 
> HSE)? Maybe they are buried somewhere, or this is just not an area 
> people have worked on....
> 
> (N.B., I do not mean Born charge calculations with Wien2k & hybrids.)
> 
> -- 
> Professor Laurence Marks
> Department of Materials Science and Engineering
> Northwestern University
> www.numis.northwestern.edu <http://www.numis.northwestern.edu/>
> Corrosion in 4D: www.numis.northwestern.edu/MURI 
> <http://www.numis.northwestern.edu/MURI>
> Co-Editor, Acta Cryst A
> "Research is to see what everybody else has seen, and to think what 
> nobody else has thought"
> Albert Szent-Gyorgi
> 
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