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Hello Dr. Zwanziger, I agree with your point that it is well-known that DFT fails with elemental germanium, but only with regards to its band gap. In particular, if you would direct your attention to the lower valence bands of the graphs for germanium, it is readily apparent that the discrepancy is ...

Hello all, I calculated the band structure of Ge with the GGA-PBE exchange-correlation functional and its corresponding PAW atomic dataset available from http://www.abinit.org/downloads/PAW2/ATOMICDATA/032-ge/Ge.GGA_PBE-JTH.xml . However, not only did the band structure lack a band gap, but the band...