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Relaxing Only a and b Lattice Parameters While Fixing c in VASP
Posted: Fri Jun 07, 2024 7:43 am
by farah_shahzadi
I am working on a project where I need to relax only the a and b lattice parameters while keeping the c parameter fixed. Could anyone advise on how to set this up in VASP?
Thank you for your assistance!
Best Regards
Farah Shehzadi
Re: Relaxing Only a and b Lattice Parameters While Fixing c in VASP
Posted: Fri Jun 07, 2024 11:37 am
by svijay
Something like LATTICE_CONSTRAINTS might be useful? (
wiki/index.php/LATTICE_CONSTRAINTS)
Sudarshan
Re: Relaxing Only a and b Lattice Parameters While Fixing c in VASP
Posted: Sat Jun 08, 2024 10:52 pm
by hszhao.cn@gmail.com
Dear svijay,
It seems that the official vasp implementation is not as flexible and powerful as the following implementation:
https://github.com/Chengcheng-Xiao/VASP_OPT_AXIS
Regards,
Zhao