[Wien] INPUTS in wien2k

sandeep sndp.chettri at gmail.com
Mon Feb 15 16:56:25 CET 2016


Dear users
I want to use in the input data file for BaMF3 type system calculation in
two comparative studies:
(1) for configuration 5s25p66s2 for Ba instead and
(2)  configuration 6s2 Ba again

Kindly suggest how to realise such inputs or basis sets either directly or
through RMTK MAX and Gmax etc.
Thank you
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