[Wien] Outputst

عبدالرزاق خيرالدين aalarrkh at gmail.com
Wed Apr 28 01:35:57 CEST 2021


Hi, the "case.outputst" file containing "TOTAL ENERGY (RYD)" for all atoms
of studied compoud. So, Is it the energy of "atom" in the solid or the
gaseous state? which is used to calculate the formation enthalpy or
cohesive energy, respectively.
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