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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>