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Force on the nucleus of an atom under the external electric field
Date: 2012/10/12 02:28
Name: H

Dear Prof. T. Ozaki and all users

I want to know whether the force on the nucleus of an atom due to the external electric field is taken into account during relaxation in OpenMX calculations.

Regards.
メンテ
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Re: Force on the nucleus of an atom under the external electric field ( No.1 )
Date: 2012/10/18 15:10
Name: T.Ozaki

Hi,

Yes, forces on atoms are taken into account under the applied external electric field.

Regards,

TO
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Re: Force on the nucleus of an atom under the external electric field ( No.2 )
Date: 2012/10/29 01:41
Name: H

Dear Prof. T. Ozaki.

Thanks for your reply.

Where can I find the subroutine where the force on "nucleus of an atom" is calculated.

I can't find the place where the variable 'E_Field', which stores the values of the electric field, is used to calculate the force on nucleus of an atom.

Regards.
メンテ

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