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- Mon Feb 06, 2017 9:56 am
- Forum: VTSTTools
- Topic: fixing atomic position
- Replies: 0
- Views: 47588
fixing atomic position
Hi all, I have a POSCAR file. I want to do geometry optimization in VASP allwoing some atoms to move and fixing atomic position of the rest. I should use selective dynamics in POSCAR but it takes time to put F and T infront of each atom because the system is large. Is there a script in vtstscripts t...