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Tagged with high-throughput vasp
2 questions
2
votes
1
answer
93
views
How to call VASP input files from parent directory
Let's suppose I want to run the same calculation but for different configurations (= different POSCAR). For all calculations I have the same INCAR, POTCAR and KPOINTS. Those could be stored in a ...
- 313
5
votes
0
answers
52
views
Error correction software for VASP calculations
I am looking for error correction packages for VASP calculations that can be integrated into a high-throughput worfklow. Ideally the software would both find and propose fixes for errors at runtime, ...
- 169