| Re: some questions ( No.1 )|
- Date: 2021/12/28 12:22
- Name: Naoya Yamaguchi
You can find information of the energy in out files as follows.
First, you need to find `Total energy (Hartree) at MD =`.
For the eigen values, you should find a part of `Eigenvalues (Hartree) for SCF KS-eq.`.