the cohesive energy is the energy per atom of the bulk minus the energy of an isolated atom. stefano
Shyam Khambholja wrote: > Hello all, > scf calculation can give us total energy. but how to calculate > cohesive energy of elements like aluminium from total energy ? thanks in > advance > > > ------------------------------------------------------------------------ > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum >
