Setting Electronic Temperature in Fermi-Dirac smearing
Kendric Roberts
robertsk... at gmail.com
Tue Jul 31 17:14:37 UTC 2018
Hi I am new to cp2k and am wondering when using smearing for cell/geometry
optimization how should one choose a temperature, which gives very good scf
convergence, but will give inaccurate results? Thanks for the help.
-Kendric Roberts
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