[Wien] Structure optimization with TEMP

shamik chakrabarti shamik15041981 at gmail.com
Tue Jun 21 14:11:55 CEST 2022


Dear Wien2k users,

                       We know the total energy/unit cell will be different
for two cases with TETRA or TEMP. However, a converged structure obtained
using TETRA will be same as obtained with TEMP or different?

with regards,

-- 
Dr. Shamik Chakrabarti
Research Fellow
Department of Physics
Indian Institute of Technology Patna
Bihta-801103
Patna
Bihar, India
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