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.chk Files

The checkpoint file (.chk) is a machine-specific binary file, so if it was generated on the Linux platform, the file cannot be read on a different platform. In order to use the information contained in the checkpoint file across platform, the file must be transformed to a formatted checkpoint file (.fchk), which is a text file containing most of the information of the original checkpoint file. The "formchk" utility performs this transformation. On the Linux box, after the calculation has finished, just do:

formchk filename.chk

which will create the formatted checkpoint file filename.fchk (with filename.chk being the file created by the calculation). The formatted checkpoint file can be transferred between different computer platforms as it is just a text file. GaussView can read directly from the formatted checkpoint file, and you can visualize the information contained in it. For instance, if you open your formatted checkpoint file (.fchk) with GaussViewM, you can go to the MO dialog now and the "Visualize" tab will be active. You can now select different orbitals and click the "Update" button to create surface plots of the orbitals. Please, review the GaussView help for more details of the different options in the MO dialog.

An email from Gaussian Tech Support - 12-04-07


Margaret Doll 6-24-2008


Margaret Doll 12-05-07