I have to calculate simulated annealing and quenching of my system. the procedure is not clear to me from the manual. can any one pl. let me know what to do and how to edit INCAR/POSCAR etc?
i have two types of atom in my system.
simulated annealing and quenching
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rudra-b
simulated annealing and quenching
Last edited by rudra-b on Mon Jul 16, 2007 8:57 am, edited 1 time in total.
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simulated annealing and quenching
please use molecular dynamics (IBRION=0) and define TEBEG and TEEND to do simulated annealing.
Last edited by admin on Fri Jul 27, 2007 12:24 pm, edited 1 time in total.