how fixe the position of atoms
Posted: Wed Oct 22, 2008 11:42 pm
Hi every one.
i would like to know how i can fixe some position of atoms in the file POSCAR for descrease the time of calcul and find the transition state quiqly because i have a big system.
Thank you.
i would like to know how i can fixe some position of atoms in the file POSCAR for descrease the time of calcul and find the transition state quiqly because i have a big system.
Thank you.