[Q-e-developers] smearing style

[Marzari Nicola]

Here -
http://theossrv1.epfl.ch/Main/ElectronicTemperature

Also, do not post to this list but to pw_forum

Nicola

Sent from a tiny keyboard...

On 19 Sep 2015, at 11:50, Jiqiang Li <jqli14 at fudan.edu.cn<mailto:jqli14 at fudan.edu.cn>> wrote:

Dear developers,
        I want to use the wavefunctions of highest occupied bands  in a charged system to evaluate some quantities, such as psi_i(r) ＊psi_j(r) . However, I found that the wavefunction sensitively depends on the degauss value.  So, how to choose a suitable value for  degauss when I want  to obatain a physically meaningful quantity.


Best regards!
 Jiqiang Li

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