- Cell Manipulation
- Code Support
An alphabetical list of file formats supported by c2x. Not all are equally used and tested: do report any bugs.
cellCastep .cell files, read and write
VASP charge density. Read and write.
Full write support, and ability to read its own output (and somewhat more besides).
Gaussian cube. Read and write, single dataset only.
Limited support for reading fort.34 and .12 files.
Onetep file format similar to cell. Read and write.
Abinit density file. Read only. Abinit >8.0 only.
Castep formatted density. Read and write.
OpenDX. Write only.
Flexible Data Format (Siesta). Read (since 2.14a) and write.
Gnuplot. Write only
Abinit .in file. Full write support, and ability to read its own output (and somewhat more besides). Introduced in c2x 2.12, improved in 2.14.
Quantum Espresso .in file. Limited write support introduced in 2.14, with read support introduced in 2.15.
Protein DataBank. Read and write, but symmetry is ignored on reading and set to P1 on writing. Note that the pdb format has a limit of 99,999 atoms, and c2x prior to version 2.25 produced incorrect pdb output if there were more than 9,999 atoms.
Vasp atomic positions. Read and write.
Abinit potential file. Read only. Abinit >8.0 only.
Python dictionary. Write only.
Shelx97 format. Full write support, and ability to read its own output (and somewhat more besides).
Write only for this format which contains a unit cell and density only -- no atoms.
Xcrysden. Read and write, 3D periodicity only.
XYZ. Write only