CCL: Benchmark test cases for DFT program or VASP?
- From: "Alma Chen" <LQChen|*|protonmail.com>
- Subject: CCL: Benchmark test cases for DFT program or VASP?
- Date: Sat, 19 Jun 2021 10:11:05 -0400
Sent to CCL by: "Alma Chen" [LQChen:-:protonmail.com]
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.