1. 没有POSCAR或者POSCAR文件的名字不对
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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 ### ### ### |
| |
| ERROR: the following files does not exist POSCAR |
| |
| ----> I REFUSE TO CONTINUE WITH THIS SICK JOB ... BYE!!! <---- |
| |
-----------------------------------------------------------------------------解决办法：
①检查自己计算文件夹里有没有POSCAR文件
②检查POSCAR文件的名字是不是POSCAR，如果是POSCAR.vasp，poscar，‘POSCAR’，PSOCAR等等其他乱七八糟的名字都不行！
2. 结构弛豫后，晶格有微小偏移
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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 ### ### ### |
| |
| PRICELV: current lattice and primitive lattice are incommensurate |
| within SYMPREC. |
| |
| ----> I REFUSE TO CONTINUE WITH THIS SICK JOB ... BYE!!! <---- |
| |
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解决办法：
①在INCAR里设置SYMPREC = 1E-3 或者 ISYM = 0
②调整自己的结构（POSCAR文件），使其符合结构对称性条件