Benchmark test cases for DFT program or VASP?
Posted: Sat Jun 19, 2021 2:19 pm
I am trying to build my workflow of using DFT to predict properties of some materials, but I am not sure if I do it all right, so I think there might be some benchmark test cases for the DFT program, but it seems there are only some test cases for testing if the installation is right. I am not looking for a database of material properties, but a complete test case that includes every step of how to build the model.
My question is:
where should I find a benchmark test case of my workflow?
And if it is not possible to get a benchmark test case for all DFT programs, a test case just for VASP would be also helpful.
My question is:
where should I find a benchmark test case of my workflow?
And if it is not possible to get a benchmark test case for all DFT programs, a test case just for VASP would be also helpful.