1. When using ISYM >= 0 with automatic k-mesh generation for KPOINTS and NCORE > 1. This particular test is for NCORE = 2, and executed with mpirun -n 2 vasp_std. The error message is:
The above error has been documented before for LWANNIER90=.TRUE. forum/viewtopic.php?t=11675 .internal error in GENERATE_KPOINTS_TRANS: number of G-vector changed in star 155 156
internal error in GENERATE_KPOINTS_TRANS: number of G-vector changed in star 171 170
2. When entering all k-points explicitly for KPOINTS. Here KPOINTS is taken from an IBZKPT output with ISYM = -1, no LOCPROJ flags set, and NCORE = 1, executed with mpirun -n 1 vasp_std. This should have the exact same grid as an automatically generated k-mesh with no symmetries. I have also tested using KpLib (ISMEAR = 0) and K-Point Grid Generator (ISMEAR = -5) from http://muellergroup.jhu.edu/K-Points.html. The pertinent error message is:
3. An additional test showing that setting the LOCPROJ flags results in PROJCAR outputting the full k-mesh for ISYM >= 0 and NCORE = 1, executed with mpirun -n 1 vasp_std. In this particular test with ISYM = 0 there are 112 k-points in IBZKPT but 216 k-points in PROJCAR.Your generating k-point grid is not commensurate to the symmetry
of the lattice. This does not sit well in combination with the
PEAD routines, sorry ...
) if not already the case, use automatic k-point generation
) shift your grid to Gamma (G) (e.g. required for hex or fcc lattice)
Occurs for any LORBIT >= 12 (I haven't tested for any others). However, ONLY occurs if LOCPROJ is set. Setting LORBIT without LOCPROJ does not cause any errors (ignoring that the partial charge densities are wrong in VASP 5 for LORBIT as outlined here wiki/index.php/LORBIT, and previously documented here forum/viewtopic.php?f=3&t=306).
The above also occurs when using Hy orbitals.
The above also occurs when using ISMEAR >= 0.
Increasing SYMPREC does not change the error in test 2.
The test system presented here is for NiO. I have also checked that the above occurs for SrVO3.