Crystal14 software is a specialized program in computational chemistry to study the structure of crystalline solids as well as various DFT density theory theory calculations, which is also widely used in various periodic system calculations. In this software, different types of DFT calculations can be performed using M06-2X hybrid functions as well as B3PW, mGGA, B3LYP functions. Crystal14 software for calculating the electronic structures of periodic systems with Hartree-Fock is the theory of density density or approximation of Hyrid. Download Crystal14 software We offer the study of crystal solids structure and DFT calculations to students, professors and researchers in the field of computational chemistry and physics.
In Crystal14 software, you can also use different Basis Sets and Polar functions. Vibration frequencies, optimization, single point calculations, periodic systems, molecules and point groups and rod groups, solids and crystal structures, films and all types of surfaces and space groups can be calculated in this software.
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