Dear Admin,
As a result of a dft calculation using vasp, we get a typical result (see attachment) as shown.
My question is weather the TOTEN includes configurational entropy?
exactly which entropy is vasp talking about?
Thanks
Configurational Entropy in standard relaxation
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prince_sharma
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Configurational Entropy in standard relaxation
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jonathan_lahnsteiner2
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Re: Configurational Entropy in standard relaxation
Dear prince_sharma,
The TOTEN output in vasp contains the entropy arising due to
the electrons. There is no ionic entropy included.
With kind regards
Jonathan
The TOTEN output in vasp contains the entropy arising due to
the electrons. There is no ionic entropy included.
With kind regards
Jonathan