Recently, I had a case using VASP 6.2.0 and ISYM=-1 that VASP had issue with symmetry as follows and it failed:
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| |
| EEEEEEE RRRRRR RRRRRR OOOOOOO RRRRRR ### ### ### |
| E R R R R O O R R ### ### ### |
| E R R R R O O R R ### ### ### |
| EEEEE RRRRRR RRRRRR O O RRRRRR # # # |
| E R R R R O O R R |
| E R R R R O O R R ### ### ### |
| EEEEEEE R R R R OOOOOOO R R ### ### ### |
| |
| Inconsistent Bravais lattice types found for crystalline and |
| reciprocal lattice: |
| |
| Crystalline: base-centered monoclinic |
| Reciprocal : triclinic |
| (instead of base-centered monoclinic) |
| |
| In most cases this is due to inaccuracies in the specification of |
| the crytalline lattice vectors. |
| |
| Suggested SOLUTIONS: |
| ) Refine the lattice parameters of your structure, |
| ) and/or try changing SYMPREC. |
| |
| ----> I REFUSE TO CONTINUE WITH THIS SICK JOB ... BYE!!! <---- |
| |
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This is being treated as convergence failure and job is resubmitted with increased NELM.
Recently, I had a case using
VASP 6.2.0andISYM=-1thatVASPhad issue with symmetry as follows and it failed:This is being treated as convergence failure and job is resubmitted with increased
NELM.This needs to be addressed in error handlers.