[Wien] Option 8 in x optimize

[Peter Blaha]

Hi,

Something like this should always be reported to the mailing list.

I guess it has a trivial fix.

Please copy the attached optimize.f into SRC_optimize, compile using 
make, and cp optimize ..

Regards


On 9/24/20 3:41 PM, sblanco wrote:
> Dear Professor P. Blaha,
> I am running the wien2k 19.2 version and realised that the option 8 of x 
> optimize does not work (optimization of volume and lattice parameters).
> Getting in touch with the group of Prof. Victor Pardo at the University 
> of Santiago de Compostela, they told me that option hasn´t worked in the 
> last versions of wien2k.
> Is there any way to solve/overcome the problem?
> Thanks
> Best regards
> 
> S. Blanco-Canosa

-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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Email: blaha at theochem.tuwien.ac.at    WIEN2k: http://www.wien2k.at
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