VASP Implicit Solvation Model
Tuesday, 7th April 2015 @ 8:46 am
An additional variant of VASP to facilitate implicit solvation model computations has now been compiled (for version 5.3.3) and is now available for use on all clusters. Necessary job submission script can be generated via
Researchers specifically authorized to use VASP are strongly recommended to verify the results for simpler/inexpensive systems with available literature before proceeding ahead with subsequent, production quality attempts for bigger/complex systems.