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Tutorial 7: VASP Calculations With Model Solvation

Tutorial 7: VASP Calculations With Model Solvation

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- Perform vacuum calculation - Wait for vacuum calculation to finish - Perform solvent calculation ! Finally, use total energies from OSZICAR files to calculate solvation energy Extended (periodic) system GaN slab Finite molecular systems Water Acetamide >cd’ vac&& qsub’vpbs.com’ > cp’WAVECAR../sol’ > cd sol && qsub vpbs.com

  Vacuum, Calculation

Download Tutorial 7: VASP Calculations With Model Solvation


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