[Pw_forum] negative dr2

[Sonu Kumar]

Dear all QE users and developers,

While using PAW pseudopotential, i got the error "NEGATIVE dr2".

Commenting out the line (used to check the error in energy in scf cycle )
as suggested in
http://www.democritos.it/pipermail/pw_forum/2011-July/021150.html, i got
the convergence.

Is it a trustworthy/robust solution to avoid the error ?
or do i have to generate new PAW potential to correctly represent the core
region density?

With Regards,
sonu

==========================================
Sonu Kumar
Phd Student,Physics Department
Indian Institute of Technology ,Delhi-110016, India
web:-http://www.iitd.ac.in/
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