[Pw_forum] Pseudopotential format for virtual.x

[Rui Mao]

Dear QE users,

I was trying to use virtual.x to generate mixed Pseudo-potentials(PPs)
recently.

However, I was having trouble even getting the PPs to be read by virtual.x
The detailed error message is attached at the end.

After a little bit of research, I found that virtual.x only accepts old
Vanderbilt PP format, while nowadays, PPs are written in new XML format.

I am wondering whether there is any auxiliary conversion tool available in
QE that can transfer the new XML format to the old Vanderbilt format?
Or is there any way to make virtual.x to accept new XML format?

Error message from virtual.x (fails at the very beginning of reading input
PP files)

 Generate the UPF pseudopotential for a virtual atom
 combining two pseudopootentials in UPF format

  Input PP file #  1 in UPF format > Se.rel-pz-nc.UPF
  IOS=            0           1           4
  Reading pseudopotential file in UPF format...

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from scan_begin : error #         1
     No HEADER block
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...


Thank you very much!
Regards,
Rui Mao
-- 

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Department of Electrical and Computer Engineering (ECE)
North Carolina State University (NCSU)
Raleigh, NC, 27606
Email: ruimao20 at gmail.com
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