[QE-users] Updated virtual.x to virtual_v2.x

[Jingyang Wang]

Dear QE developers,

Since I realized some time ago that the problem of virtual.x not being able
to read the UPF v2 format has been there for a long time, and nobody seemed
to have the time or need to fix it, I decided to do it myself. The updated
version is named "virtual_v2.x"; as the name suggests, it properly
generates a virtual crystal pseudopotential in UPF v2 format from two UPF
v2 pseudopotentials. The nice feature about this code is that, instead of
using its own independent read and write routine in /upftools, it uses the
standard modules "upf_module" and "write_upf_v2" in /Modules. I have
compiled the code with QE v5.2.0 and successfully generated the correct
pseudopotential file, although there seems to be some kind of problem for
later versions of QE (not sure what it is). I'm wondering if there is a way
to incorporate this code to the latest QE depository? Thank you very much!

Best regards,
Jingyang Wang


Jingyang Wang
Ph.D. candidate
School of Applied and Engineering Physics
Cornell University
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