VASP 的 6 版本有时候会出现以下报错:
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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 orthorhombic |
| Reciprocal : simple monoclinic |
| (instead of base centered orthorhombic) |
| |
| 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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这时候可以尝试修改 INCAR 的 SYMPREC 参数:
SYMPREC = 1e-6
SYMPREC = 1e-4
SYMPREC = 2e-5