Queries about input and output files, running specific calculations, etc.
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hszhao.cn@gmail.com
- Full Member
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#1
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by hszhao.cn@gmail.com » Tue Jul 18, 2023 1:44 pm
I noticed the VASP_OPT_AXIS project located at
https://github.com/Chengcheng-Xiao/VASP_OPT_AXIS, which says the following:
This project provides patches enabling the ability to fix lattice vector component(s)/stress tensor component(s) during relaxation in VASP.
I would like to know whether the related feature must be achieved by applying such a patch and still not implemented as a built-in feature of the current version of VASP. Any hints will be highly appreciated.
Regards,
Zhao
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pedro_melo
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#2
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by pedro_melo » Mon Jul 24, 2023 9:40 am
Dear
hszhao.cn@gmail.com,
At the present we do not have that feature implemented in VASP. You will have to use the patch that you found. Please note that we do not take responsibility for what results you may obtain.
Kind regards,
Pedro Melo