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Delta Factor
Date: 2022/01/18 00:55
Name: Vejdani   <m.vejdanih@basu.ac.ir>

Dear users,
We have two columns in 'System.Name.DF' output file. Could you please tell me what are the units?
regards,
Vejdani
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Re: Delta Factor ( No.1 )
Date: 2022/01/18 02:56
Name: Naoya Yamaguchi

Hi,

The first and second columns are the cell volume per atom in the unit of ang.^3 and the total energy per atom in the unit of eV, respectively.
You can find them in `iterout_md.c`.

Regards,
Naoya Yamaguchi
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Re: Delta Factor ( No.2 )
Date: 2022/01/18 06:44
Name: Mehdi Vejdanihemmat  <m.vejdanih@gmail.com>

Dear Naoya,
Thank you very much. It was very useful.
Best wishes,
Mehdi Vejdanihemmat
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Page: [1]

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