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LATTICE_CONSTRAINTS & IBRION = 3

Posted: Fri Feb 14, 2025 2:12 am
by reza_namakian1

Hello,

I was wondering if you guys have any plan to implement IBRION = 3 for the LATTICE_CONSTRAINTS tag in the next release of VASP.

Thanks!


Re: LATTICE_CONSTRAINTS & IBRION = 3

Posted: Fri Feb 14, 2025 10:12 am
by manuel_engel1

Hi,

There are currently no plans to implement LATTICE_CONSTRAINTS for IBRION=3. The feature might appear in a future version.