[QE-developers] QE-virtual.x bugs

[王书道]

Dear Mr./Ms.,


The virtual.x utility in the upftools directory of QE distribution can be used to generate virtual pseudopotential, but it can only read the old version (v1) of UPF. Is there a new version of virtual.x tool can read the new version (v2) of UPF? I wrote a fortran source code (attached) to convert UPF-v2 to UPF-v1 and tried to use it for generating virtual pseudopotential, but it reported some bugs when reading the UPF-file.  I will appreciate it if you can give me some advices.

Best regards,

--
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Shudao Wang
State Key Laboratory For Advanced Metals and Materials, 
University of Science and Technology Beijing, China
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Tel: 86-18701611799
Email: wsd_sklamm at xs.ustb.edu.cn
 










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