LATTICE_CONSTRAINTS & IBRION = 3

Queries about input and output files, running specific calculations, etc.


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reza_namakian1
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LATTICE_CONSTRAINTS & IBRION = 3

#1 Post by reza_namakian1 » Fri Feb 14, 2025 2:12 am

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!


manuel_engel1
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Re: LATTICE_CONSTRAINTS & IBRION = 3

#2 Post by manuel_engel1 » Fri Feb 14, 2025 10:12 am

Hi,

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

Manuel
VASP developer

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