📄️ Download
You can download PWmat from LongXun offcial website. Currently, we only provide
📄️ Installation
After downloading the corresponding installation package, you can install it in the following way:
📄️ Manual
The manual of PWmat is available on the LongXun offical website, please check it!
📄️ Input Files
As a minimal setup, PWmat requires the user to prepare the following input files:
📄️ Output Files
The main output file of PWmat is the REPORT. The RELAXSTEPS file contains the total energies of the electronic and ionic SCF steps, and it is useful for the monitoring of the calculations.
🗃️ Examples
18 个项目