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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