[Pw_forum] TiS3 input problem

Suchit such.engr at gmail.com
Fri Jun 3 18:10:23 CEST 2016


Hi Jaret,
I ran your input file, and noticed that the pseudopotentials are not
norm-conserving, as reported at the top of the SCF output file. Please see
the post below, where a similar problem was solved by using norm-conserving
pseudopotentials. Good luck!

http://pw_forum.pwscf.narkive.com/4eARNvej/problems-computing-cholesky

Best Regards,
--Suchit (Grad student, Berkeley-EECS)
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