CRYSTAL
Equation of State (Crystal code)
Summary Introduction A Few Theoretical Remarks Murnaghan EOS Birch-Murnaghan EOS Poirier-Tarantola logarithmic EOS Vinet exponential EOS A Guided Tour of Input and Output files Introduction …
Plotting
Plotting Bands and DOSs for Crystal Code
To plot electronic properties from CRYSTAL first requires the output files from a properties calculation which contain <filename>.BAND.DAT or <filename>.DOSS.DAT. If these files are …
TUTORIALS
Introductory Tutorials for Crystal Code
This tutorial aims at giving a quick overview of the basic features of the CRYSTAL code from simple calculations (total energy, geometry optimization, ...) to some advanced applications …
CRYSTAL
Ferro and Antiferromagnetism (ِ Crystal code )
R. Orlando Introduction A simple magnetic compound: KMnF 3 The FM phase The AFM phase FM-AFM phase The magnetic exchange coupling constant Breaking symmetry: KCoF 3 List of available inpu…
CRYSTAL
How to run CRYSTAL17
Download the executables: full license (serial and parallel versions) (max 10000 atoms/cell)/ demo license (serial version) (max 10 atoms/cell) Download the scripts to run the programs Down…
