- Cell Manipulation
- Code Support
The following publications have kindly cited the c2x paper.
- [Post hoc dipole corrections] Molecules with dipoles in periodic boundary conditions in a tetragonal cell, MJ Rutter J. Phys.: Condens. Matter 31 335901 (2019)
- [Spin density extraction from Castep] First-principles study of localized and delocalized electronic states in crystallographic shear phases of niobium oxide, CP Koçer, KJ Griffith, CP Grey and AJ Morris, Phys Rev B 99 075151 (2019)
- [As an spglib interface] High-pressure CaF2 revisited: a new high-temperature phase and the role of phonons in the search for superionic conductivity, JR Nelson, RJ Needs and CJ Pickard, Phys Rev B 98 224105 (2018)
- [For band parity analysis] Optical absorption driven by dynamical symmetry breaking in indium oxide, AJ Morris and B Monserrat, Phys Rev B 98 161203(R) (2018)
And, from the era when there was no paper to cite, and c2x was called check2xsf, the following still made explicit acknowledgement of it:
- [For supercell construction] Lattice dynamics and electron-phonon coupling calculations using nondiagonal supercells JH Lloyd-Williams and B Monserrat, Phys Rev B 92 184301 (2015)
- [For 1D charge density extraction from Castep] Comparing electron-phonon coupling strength in diamond, silicon, and silicon carbide: First-principles study, B Monserrat and RJ Needs, Phys Rev B 89 214304 (2014)
- [For 3D charge density extraction from Castep] Ab initio electronic and geometrical structures of tripotassium-intercalated phenanthrene, PL de Andres, A Guijarro and JA Vergés, Phys Rev B 84 144501 (2011)
- [For visualisation with XCrysDen] Lithium oxygen termination as a negative electron affinity surface on diamond: a computational and photoemission study, TL Martin, PhD thesis, University of Bristol (2011)
Please also consider citing C2x: a tool for visualisation and input preparation for Castep and other electronic structure codes, MJ Rutter, Computer Physics Communications, 225 174-179 (2018) if you use c2x in your published work.