keeeto/SplitXDATCAR
Splitting VASP tajectory XDATCAR to multiple POSCARs at as many points as required.
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Splitting VASP tajectory XDATCAR to multiple POSCARs at as many points as required.
Surface Optimisation for Deposition on Materials
Building surface slabs for VASP
Generate kpoins for sampling Brillouin zones