Re: [SIESTA-L] Convergence vs MeshCutoff problem

You can also try this thing with iron, LDA predicts the wrong ground-state phase for it, too. And some other tramsition metals. Use GGA instead. 2007/2/25, Yurko Natanzon <[EMAIL PROTECTED]>: Thank you everyone for the answers, I need an accuracy of 1 meV/atom or less, and I see I can get it, I

[SIESTA-L] fermi energy

Does anybody know how Fermi energy is calculated in cv or in dlts results? Aradığınız aşkı bulacağınız Mynet Arkadaşım yenilendi!

[SIESTA-L] Fermi energy

Does anybody know how Fermi energy is calculated in SIESTA? Aradığınız aşkı bulacağınız Mynet Arkadaşım yenilendi!