VASP calculation of Nudged Elastic Band (NEB)
Series of try VASP sample: “Nudged Elastic Band Method”. Nudged Elastic Band Method Now, we think that an atom which is located on a surface of latt...
Category: DFT
VASP calculation of spin-polarized fcc Ni
Series of try VASP sample: “fcc Ni”. Lattice parameter optimization, calculation of the DOS and bandstructure in (spin-polarized) fcc Ni. INCAR ISPI...
VASP calculation of beta-tin Si
Series of try VASP sample. “beta-tin Si” here. cms.mpi.univie.ac.atBeta-tin Si - Vaspwikihttp://cms.mpi.univie.ac.at/wiki/index.php/Beta-tin_Si Si has the diamo...
VASP calculation of cd Si
Series of try VASP sample. “diamond Si” here. cms.mpi.univie.ac.at 1 pocketCd Si - Vaspwikihttp://cms.mpi.univie.ac.at/wiki/index.php/Cd_Si Calculation is the s...
VASP calculation of fcc Si bandstructure
Series of try VASP sample. “fcc Si bandstructure” here. cms.mpi.univie.ac.atFcc Si bandstructure - Vaspwikihttp://cms.mpi.univie.ac.at/wiki/index.php/Fcc_...
VASP Calculation for Density of States (fcc Si DOS)
Series of try VASP sample. “fcc Si DOS” here. cms.mpi.univie.ac.at 1 pocketFcc Si DOS - Vaspwikihttp://cms.mpi.univie.ac.at/wiki/index.php/Fcc_Si_DO...
Input and Output Files of VASP
A short explanation of input and output files of VASP. Input Files 4 files are required at least. These files are prepared in the same directory. INCAR: calcula...
My first VASP (fcc Si)
I start to use VASP. Now I start VASP with workshop example for fcc Si. cms.mpi.univie.ac.at 1 user 1 pocketVASP example calculations - Vaspwikihttp://cms.mpi.u...