[QE-users] Thermal decomposition temperature using QE
鲍路瑶
baoluyao at licp.cas.cn
Mon Jul 19 05:20:31 CEST 2021
Dear all,
I am new to QE. I want to simulate the decomposition reaction of Oxalate containing 26 atoms in bulk liquid state, and determine the thermal decomposition temperature of the Oxalate.
I'm not sure if I can achieve my goal using QE.
Thanks.
best,
Luyao
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