On Sun, 2021-01-31 at 09:18 +0100, Tone Kokalj wrote: > > What Valeria described is all correct. The question to answer is > this: why is the total energy with ibrav=3 twice smaller ...
Twice smaller in magnitude is what I actually meant. Tone -- Jožef Stefan Institute, Ljubljana, Slovenia _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
