How to constrain the z axis ?

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How to constrain the z axis ?
Date: 2023/12/08 16:11 Name: YaoShunWei <yao_sw@163.com> Dear experts, I want to calculate a slab model, and how can I constrain the z axis to keep the length of vacuum layer when I am optimizing the structure? Best regards YaoShunWei

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Re: How to constrain the z axis ? ( No.1 )

Date: 2023/12/09 12:44
Name: Naoya Yamaguchi

Hi,

You can use `RFC6` or `OptC6` for the purpose (cf. https://www.openmx-square.org/openmx_man3.9/node54.html).

Regards,
Naoya Yamaguchi

Re: How to constrain the z axis ? ( No.2 )

Date: 2023/12/11 00:33
Name: YaoShunWei <yao_sw@163.com>

Dear Dr Naoya Yamaguchi

Thank you very much for your suggestion, I will try it.

Regards,
Yao ShunWei

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