surface energy

External optional components of Abinit (BigDFT, Wannier90, ...) and codes using / providing data from / to Abinit (AtomPAW, EXC, DP, SAX, WanT, Yambo, ...).

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surface energy

Postby saikrishna » Thu Jul 11, 2019 10:28 am

I am going through the tutorial number tbase4_6.in and I have a doubt in how the surface relaxation energy and non-relaxation energy are computed from the total energy?

Thanks in advance
Sai krishna
saikrishna
 
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