[Pw_forum] GIPAW for metallic system
Prasenjit Ghosh
prasenjit.jnc at gmail.com
Thu Jul 12 04:01:23 CEST 2012
Dear all,
Has GIPAW been included for calculations using smearing? Some early posts
says that it has not been done.
I want to calculate the nmr spectra of a system which is magnetic and for
that I need to use smearing.
So I was wondering whether in the latest version of QE, GIPAW with
occupations smearing has been implemented or not.
With regards,
Prasenjit
--
PRASENJIT GHOSH,
IISER Pune,
First floor, Central Tower, Sai Trinity Building
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Pune, Maharashtra 411021, India
Phone: +91 (20) 2590 8203
Fax: +91 (20) 2589 9790
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