Dear Prof.Blaha & Tran I have calculated optimization of supercell (1*1*2). But Energy vs Volume is linear!
case.outputeos: 10575.3364 -88567.151612 11162.8553 -88566.366642 12925.4112 -88561.471064 11750.3745 -88565.095045 12337.8929 -88563.437182 Is this normal? If no what is reason? What do I do? Please help me Best Regards -- Marzieh Ghoohestani PhD Student of Computational Nano Physics Nano Research Center, Department of Physics University of Technology, Isfahan, Iran
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