Releases: tilaskabengele/BiCrystal
Releases · tilaskabengele/BiCrystal
BiCrystal
BiCrystal
In this version, we have automated the selection of the rotation angle. User inputs m,n parameters and selects the intial atoms.
BiCrystal
BiCrystal is a Python program that builds commensurate and incommensurate crystal structures of layered materials. The current version reads CIF files and writes the new structure to a QUANTUM ESPRESSO input file.