[Pw_forum] Regarding calculation of nmr spectra using gipaw.x

Prasenjit Ghosh prasenjit.jnc at gmail.com
Sat Jun 16 08:00:11 CEST 2012


Dear all,

while calculating the nmr spectra using gipaw, is it necessary to use the
paw pseudopotential for all the atoms or is it sufficient if we use the paw
pseudopotential for the element for which we want to calculate the spectra?

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
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