Converting of Gaussian cube format to periodic XSF format

When we use a volumatic data-visualization software (such as VESTA and XCrysDen), the acceptable operation is depend on the data format and the keyword.

The currentversion of VESTA (at 2015/8) cannot display a periodic structure with the Gaussian Cube-format input file; we have to use a periodic XSF format-input file to display a periodic structure.

OpenMX produce Gaussian Cube format files of the charge/spin density, Kohn-Sham orbitals, eiggenchannels, and so on; A tool (cube2xsf)to convert the Gaussian Cube format to the periodic XSF format is prepared.

The usage of it is as follows:

$ cube2xsf a.cube
$ cube2xsf b.cube.bin
$ cube2xsf a.cube b.cube.bin
$ cube2xsf *.cube.bin
Then, files that have .xsf extention is generated.



2016-04-03