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- 14 Python script for convergence test
- 12 Creating Interatomic Potential for Lammps using DFT
- 8 Calculation of linear coefficient of thermal expansion using VASP-Phonopy for Hexagonal material
- 7 What is the maximum allowed doping concentration?
- 6 How can I do a charge transfer study in bulk crystalline materials?
- 6 How to set NCORE, KPAR and NBANDS to speed up calculations on VASP?
- 6 How to take periodic snapshots while running a simulation in VASP?
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