[QE-users] melting and quenching rate in AIMD
RAJNEESH CHAURASIYA (P16PH001)
chaurasiya.1 at iitj.ac.in
Wed Nov 10 09:38:40 CET 2021
Dear experts,
I have created the interface of ZrO2/WO3 and want to investigate the
interface behavior like diffusion of atoms and defects at the interface. So
for the same, I need to perform the melting and quenching. I am using the
CP.X and PW.X both for AIMD simulation.
I have gone through the mail list but I didn't get any idea about how I can
define the melting and quenching rate.
I will be very thankful, If anyone can give me an idea about it.
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