pyiron_atomistics.vasp.base

pyiron_atomistics.vasp.base#

Functions

get_k_mesh_by_cell(cell[, kspace_per_in_ang])

param cell:

Classes

Incar([input_file_name, table_name])

Class to control the INCAR file of a vasp simulation

Input()

Handles setting the input parameters for a VASP job.

Kpoints([input_file_name, table_name])

Class to control the KPOINTS file of a vasp simulation

VaspBase(project, job_name)

Class to setup and run and analyze VASP simulations which is a derivative of pyiron_atomistics.objects.job.generic.GenericJob.