[Pw_forum] model solvent effects in QE

Prasenjit Ghosh prasenjit.jnc at gmail.com
Mon Jan 28 13:12:26 CET 2013


Dear all,

When I look into the configure option in QE-5.0.2, I see that there is an
option to compile with solvent related stuff.

Can anyone point me to some literature and/or documentation (or relevant
f90 files) regarding the implementation and usage to incorporate solvent
effects in QE?

With regards,
Prasenjit

-- 
PRASENJIT GHOSH,
IISER Pune,
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Pune, Maharashtra 411021, India

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