[QE-users] The virtual.x problems

Pietro Delugas pdelugas at sissa.it
Fri May 11 09:58:33 CEST 2018


Hello


no no new news yet as far as I know.


I made this modified version which works when compiled in the current 
development version, if it is necessary I will  commit this one to the 
repository.

I am attaching the modified version, seems to work with norm conserving 
but not with USPP. I don't even know if this implementation has ever 
worked with USPP anyway.


Just put it in the upftools in place of the older virtual.f90 and make 
virtual.x.


Let me know for any issue

regards - Pietro




On 10/05/2018 19:43, Robert Andrawis wrote:
>
> HI
>
> I have problem using virtual.x  some problems with the reading from 
> UPF v2  and other from interpolation process fail if the 
> pseudopotential mesh are different.
>
> any updates for this tool.
>
> I think before  in the thread
>
>
>   Updated virtual.x to virtual_v2.x
>   <https://www.mail-archive.com/search?l=users@lists.quantum-espresso.org&q=subject:%22%5C%5BQE%5C-users%5C%5D+Updated+virtual.x+to+virtual_v2.x%22&o=newest>
>
>
> A new version is developed any body can share with me that version.
> thx
> Robert
>
>
> _______________________________________________
> users mailing list
> users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users

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