HOW TO PREPARE AN INPUT FILE FOR SURFACE CALCULATIONS 12:04 0 EMRE S. TASCI etasci@metu.edu.tr Physics Department, Middle East Technical University 06531 Ankara, Turkey Abstract. This how-t...
VASP-tutor: Creating a primitive unit cell from a conventional unit cell…for a MOF. 11:49 1 When performing electronic structure calculations on complex systems, you prefer to do this on systems with as few atoms as possible. S...
How to remove atoms outside the unit cell in Vesta ? 11:37 0 We expose an example of showing atoms outside of the unit cell Procedure to remove the outside atoms - Click on the Edit menu and ch...
Creating a supercell model using VESTA 11:12 0 Preparing an atomistic model is the first and perhaps the most important step in using first-principles simulation for materials research. ...
How to install the software VESTA on linux 06:39 2 1 . Download the linux version according to your system from this link : http://jp-minerals.org/vesta/en/download.html 2 . Installing th...