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some questions
Date: 2021/12/27 21:44
Name: zhou chao   <994646659@qq.com>

Dear sir
how to check the energy in the outfile? I cannot find it
zhouchao

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Re: some questions ( No.1 )
Date: 2021/12/28 12:22
Name: Naoya Yamaguchi

Hi,

You can find information of the energy in out files as follows.
http://www.openmx-square.org/openmx_man3.9/node16.html
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.`.

Regards,
Naoya Yamaguchi
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