Top network posts
- 15 How to convert from primitive to conventional after structure relaxation?
- 14 Tools for high-throughput DFT studies?
- 12 Dealing with symmetry of ordered primitive cell during DFT structure relaxation
- 11 Parallelization in VASP
- 10 AIMD and velocity scaling in VASP
- 10 Constraining coordination or bond lengths for certain atoms in VASP
- 10 Choosing RAM, CPU time, # of cores, and other parameters for an MD run
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