TCM
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c2x formats

An alphabetical list of file formats supported by c2x. Not all are equally used and tested: do report any bugs.

cell

Castep .cell files, read and write

chg/chgcar

VASP charge density. Read and write.

cif

Full write support, and ability to read its own output (and somewhat more besides).

cml

Write only.

cube

Gaussian cube. Read and write, single dataset only.

crystal

Limited support for reading fort.34 and .12 files.

dat

Onetep file format similar to cell. Read and write.

den

Abinit density file. Read only. Abinit >8.0 only.

den_fmt

Castep formatted density. Read and write.

dx

OpenDX. Write only.

fdf

Flexible Data Format (Siesta). Read (since 2.14a) and write.

gnu

Gnuplot. Write only

in

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.

pdb

Protein DataBank. Read and write.

poscar

Vasp atomic positions. Read and write.

pot

Abinit potential file. Read only. Abinit >8.0 only.

py

Python dictionary. Write only.

res

Shelx97 format. Full write support, and ability to read its own output (and somewhat more besides).

xplor

Write only for this format which contains a unit cell and density only -- no atoms.

xsf

Xcrysden. Read and write, 3D periodicity only.

xyz

XYZ. Write only