[Pw_forum] PB mixing PP produced with ld1 with virtual.x

Nicola Marzari marzari at MIT.EDU
Thu Jun 12 14:37:51 CEST 2008


Jérémie Teyssier wrote:
> Dear all
> 
>  
> 
> I have produced a PP for Bi that works pretty well. I would like to mix 
> it with another PP but virtual returns this error message :
> 
>  
> 
> ./virtual.x
> 
>  
> 
>  Generate the UPF pseudopotential for a virtual atom
> 
>  combining two pseudopootentials in UPF format



Dear Jeremie,

hopefully someone will reply about your specific error message
(looks to me just a matter of compatibility between reading upf formats).

Do note though that virtual.x has some (simple) bugs - we are working
on it these days. Be in touch with Jivtesh Garg <jivtesh at MIT.EDU>.

				
			nicola

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