The value of the tsmear in dmft calculation

Total energy, geometry optimization, DFT+U, spin....

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onion2440
Posts: 34
Joined: Sat Sep 05, 2015 10:04 am

The value of the tsmear in dmft calculation

Post by onion2440 » Fri Jun 16, 2017 4:13 pm

Dear everyone,
recently I am doing dmft calculation along with the dmft tutorial.
Now I have a question that, how to decide the value of the Parameter: tsmear ? since in dmft method, one can only set occopt=3, the tsmear seems have no choice other than the environment temperature.
any suggestions are valuable.
Best,
chao yang

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