[QE-users] The virtual.x problems

[Pietro Delugas]

Hi Fabio

I just tried current version with Al-Ga Ga-In Al-In C-Si Si-Ge P-As, 
which are more or less all of pairs which come to my mind where virtual 
can be used, and apart from Al-Ga where it doesn't work because Ga 
pseudo has usually d semicores every seems to work fine.

Please le me have the 2 pseudos you are trying to mix.

Pietro

On 24/02/19 23:41, Fabio Costa wrote:
>
> Hello everybody
>
> Sorry for reopening this post, but Im currently struggling to work 
> with this virtual.x tool.
>
> I’m working with QE v.6.3, and tried to do the task with both the 
> updated and original version of virtual.x. After inputting the PP to 
> mix together, the program generates the output file, but ends with the 
> message:
>
> At line 215 of file write_upf_v2.f90
>
> Fortran runtime error: End of file
>
> Also, when I open the output PP, NewPseudo.UPF, it contains the 
> following text:
>
> <?xml version “1.0” encoding=”UTF-8”?>
>
> <UPF version=”2.0.1”>
>
> Thank you all for any assistance
>
> Cheers
>
> Fábio Costa
>
>
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