How can I open a CHK file in ORTEB software for its computational study?
To open a CHK file and perform computational studies, you will need to use Gaussian itself or another software package that supports Gaussian checkpoint files. Here's a general guide on how to proceed:
Install Gaussian: If you haven't already, download and install the Gaussian software package on your computer. Gaussian is a commercial software, so you may need to obtain a license or trial version from the official Gaussian website.
Launch Gaussian: Start the Gaussian software on your computer. Depending on your operating system, you may have a command-line interface or a graphical user interface (GUI) available.
Open the CHK file: In the Gaussian interface, there should be an option to open or load a checkpoint file. Look for a command or menu item that allows you to specify the CHK file you want to open. The exact procedure may vary depending on the version of Gaussian you are using.
Analyze or restart the calculation: Once you have loaded the CHK file, you can perform various operations depending on your specific needs. You may choose to analyze the results of a previous calculation, extract molecular coordinates or other data, or restart a calculation from the checkpoint file.
Please note that the specific steps and options may vary depending on the version of Gaussian you are using and the nature of your computational study. It's recommended to consult the Gaussian documentation or user manual for detailed instructions on working with CHK files and performing computational studies within Gaussian.
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