[QE-users] Too few elements found when running virtual_v2.x potential
pdelugas at sissa.it
Fri Dec 21 09:25:54 CET 2018
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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