[QE-users] About confirmation of ground state energy of isolated atom

poonamsharma poonamkaushik40 at gmail.com
Sat Jan 1 16:23:42 CET 2022


Dear all,
I have one question about finding the ground state energy of an
isolated atom.
I considered a cubic unit cell with a vacuum of 15 angstrom. How do I know
after computation, the ground state energy that I got is correct?

Thanks and regards,
Poonam S.



-------------------------------------------------------------------------------------------------
Poonam Sharma
Research Scholar
Department of Physics
Indian Institute of Technology Bombay
Mumbai - 400076
India.
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