Dear Wien2k users,
I have a structure with a 2D Brillouin Zone. I have obtained
the optimized structure with TETRA while when calculating EnergyI shifted
to TEMP smearing. My query is whether we would get different
optimized structure with using TEMP or the effect of TEMP on structure is
minimal?
Looking forward to your reply.
with regards,.
--
Dr. Shamik Chakrabarti
Research Fellow
Department of Physics
Indian Institute of Technology Patna
Bihta-801103
Patna
Bihar, India
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