Main Window

../../_images/01.jpg

Menubar

File

Open POSCAR: Open a POSCAR and the crystal structure will be shown in the 3D display area.
Build structure: You can build a new structure with the crystal parameters of space group, lattice or lattice constants and atomic positions.
Close: Close the main window.

Calculations

Perform first-principles calculations with VASP software package. For more information on VASP calculations, please visit the official VASP website.

scf: Perform calculations with the Self-Consistent Field (SCF) Method.
scf_noncal: Perform the nonlinear calculations with the Self-Consistent Field (SCF) Method.
band: Calculate the energy band structure.
band_noncal: Calculate the nonlinear energy band structure.
DOS: Calculate the density of states.
phonon: Calculate the phonon dispersion.
Wannier: Calculate the MLWF.
pyxtal: Produce a structure ramdonly with the library of pyxtal.

Plot

band: Plot an EIGENVAL file.
projected band: Plot an PROCAR file.
DOS: Plot an EIGENVAL file.
CHGCAR 2D: Plot a CHGCAR file in a plane.
CHGCAR 3D: Plot a CHGCAR file.

Tools

Supercell: build supercell to a opened structure.
Structure_interface: convert the crystal structure to conventional or primitive cell.
Download: Download output file.

Settings

Node Connection: Before you start a computation task, you must prepare the information about the computation node, including the node’s IP address, username, password, etc.

Help

Instruction: A brief intruction to AbinitoStudio.
About: A brief introduction to AbinitoStudio.

3D display area

All 3D graphics and part of 2D figures will be displayed in this area, including crystal structure, charge density, etc.

2D display area

2D graphics will be displayed in this area, including energy band, density of states, projected bands, etc.

Output area

Important output information is displayed in this area.