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An old Fortran program for generating carbon nanotube coordinates.

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This is an old Fortran program for generating carbon nanotube coordinates, in XYZ or LAMMPS format, to be used as input in DFT calculations or molecular dynamics simulations. The very first version was released in 2005 not only in Fortran, but also in VB Script and CSH Shell, and has undergone few modifications since then.

It can be compiled with any Fortran 90-compliant compiler, such as gfortran (recommended).

Usage is quite simple and self-explanatory. Feel free to modify the code according to your needs and translate it to other computer languages (it has already been done by others actually).

If you find it useful and if you don't mind, please cite my paper Ab initio study of TCNQ-doped carbon nanotubes in your papers in which you use the code, modified or not.

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An old Fortran program for generating carbon nanotube coordinates.

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