Dear all,
Some pseudopotential includes semicore state.I wonder what is the meaning of
semicore state and which element includes semicore state?
Best wishes!
Dai
Dear all,
Some pseudopotential includes semicore state.I wonder what is the meaning of
semicore state and which element includes semicore state?
Best wishes!
Shi
2009.7.13
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There is a tutorial at the Opium pseudopotential generation project, see
link below. Although you might not want to take the time to fiddle with the
software, the tutorial does a good job explaining the different
modifications that can be made to norm-conserving pseudopotentials.
Dear Users,
Can someone kindly explain the physical reason why in phonon calculations for
crystals only a single atom is displaced and only the displacement along a
single coordinate direction is considered (e.g. +x and -x only)?
Thank you.
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