11/16/2009 · error in IBZKPT_ HF: two k-points are equivalent 1 40 this will cause problems in the HF routine error in IBZKPT_ HF: two k-points are equivalent 1 40 this will cause problems in the HF routine error in IBZKPT_ HF: two k-points are equivalent 1 40 this will cause problems in the HF routine, 6/10/2008 · I have just run a test with only one image to show you the output. I had the same with four or three images. In the OUTCAR I got: Subroutine IBZKPT returns following result: ===========================================. Found 2 irreducible k-points : Following reciprocal coordinates: Coordinates Weight. 0.250000 0.250000 0.000000 2.000000.
error in IBZKPT_ HF: two k-points are equivalent 43 82 this will cause problems in the HF routine ????K???43??82??????0?Gamma?0,0,0???, error in IBZKPT_ HF: two k-points are equivalent 43 82 this will cause problems in the HF routine ????K???43??82??????0?Gamma?0,0,0???, 3/11/2021 · 7. Last but not least, make sure your KPOINTS file has the right number of k-points (not too few and not too many).
You usually get this error when you are trying to perform the band structure part of the calculation because the k-points you generated in the previous step of the calculation don’t match the …
Mind: The procedure to compute bandstructure in GW using V2W is almost identical to the corresponding HSE one described in Si bandstructure.. Mind: The standard procedure for GW calculations is described in Bandgap of Si in GW.
error in IBZKPT_HF: two k-points are equivalent this will cause problems in the HF routine ?? KPOINTS ??? K-points 5 Line-mode rec 0.0 0.0 0.0 0.0 0.0 0.5 0.0 0.0 0.5 0.5 0.5 0.0 0.5 0.5 0.0 0.5 0.5 0.5 0.5 0.5 0.5 0.0 0.0 0.0 ???????????k?????????????????? ??? …
