[DFTB-Plus-User] Heat bath layer
김한규
gksrb500 at naver.com
Sun Dec 26 07:58:01 CET 2021
Dear all,
I'm DFTB+ newbie user performing Molecular Dynamics.
I want to insert several heat bath layer in my slab structure.
Is there any function in DFTB+ to group the specific atoms and give Langevin thermostat to them?
Thanks,
Hankyu Kim
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