ntriad error for certain k point sets
Soumyajyoti reports that he encountered the ntriad error if he tries to calculate for a film system a DOS (ndir=-1, DOS=t) for k point sets larger than a certain size. This error is thrown in the routine triang which at least assumes k points at every corner of the IBZ. Gustav mentioned that one has to adjust the k point set by hand such that the routine likes it. At least a gamma centered k point set should be used. This can be achieved by using a mesh with an odd number of k points in each direction.
I performed tests and saw that this does not seem to be enough. For the given test system a mesh of 23x23x1 seems to be the largest that works. 25x25x1 leads to the ntriad error.
I think we should make this routine failsafe. For HTC purposes manual adjustments of the k point set are not possible. I attach the relevant files Soumyajyoti sent me as well as a charge density file that can be used as a starting point for test calculations.inp.workingkpts.workingLOGFILE.workinginp.notworkingkpts.notworkingLOGFILE.notworkingcdn1