VASP Forum

Hello,

Can anyone tell me how to freeze atomic positions in VASP during optimization?

Thanks

You can use "Selective dynamics" to lock the fractional coordinates for specific ions. Have a look at the manual for the POSCAR:

http://cms.mpi.univie.ac.at/vasp/vasp/node63.html

Best regards,
/Dan Fors

<span class='smallblacktext'>[ Edited Wed May 28 2008, 11:54AM ]</span>