[QE-users] Too few elements found when running virtual_v2.x potential

Pietro Delugas pdelugas at sissa.it
Fri Dec 21 09:25:54 CET 2018

Dear Zhao

The mixing of PAW files is not implemented in virtual. Most likely what 
is happening is that the file you produced with virtual_v2.x is declared 
as a PAW in the header, but as some PAW dataset is missing in the new 
UPF   file, the program goes in error  when it tries to read them.

By the test that I have done virtual_v2.x produce valid files for norm 
conserving and ultrasofts, but results are reliable only in the norm 
conserving case. So I would stick to norm conserving.

greetings - Pietro

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