[Wien] volume optimization

tran at theochem.tuwien.ac.at tran at theochem.tuwien.ac.at
Wed Aug 26 20:39:33 CEST 2015


Maybe you could also send the ps file of the curve such that we can see.

On Wed, 26 Aug 2015, osama rana wrote:

> Hello ,i m using LDA+U potential for f orbital system..instead of getting curve i always get a straight line with some point below it.(it doesnt fit the curve
> with BM equation..nevertheless i never get minima..can u tell me which parameters i should vary or consider..thanks
> 
>


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