Get Phases By Using Secondorder Derivative And By Using Wien2k - Wien2k

This guide provides comprehensive instructions for filling out the phases form utilizing second-order derivative calculations with Wien2k. Whether you are experienced or new to digital document management, this guide will offer clear steps to successfully complete the process.

Follow the steps to successfully fill out the phases form.

1. Press the ‘Get Form’ button to access the document and open it in your preferred editor.
2. Once the form is open, locate and complete the fields designated for your specific project information. Ensure you provide accurate details to maintain the integrity of your data.
3. In the next section, input the necessary parameters related to your calculations, ensuring that all values conform to the required format for the second-order derivative analysis.
4. After noting the required setup for your Fortran compiler in the 'Makefile', modify the necessary fields with the correct compiler options and paths. Save your changes before proceeding.
5. Run the relevant initialization commands as indicated in the instructions. This may require executing terminal commands to set up your environment variables.
6. Perform calculations as required, ranging from strain settings to specific parameter adjustments. Be meticulous in noting the settings for variables such as RKmax and k-point meshes.
7. After running the required programs, review your outputs carefully. You may need to rerun analyses with adjusted data points or settings to achieve the desired precision.
8. Finally, ensure to save your changes and upon completion, download, print or share the form as needed for your records.

Begin your calculations and fill out your document online today.