If any one wants to study low temperature effect in superconducting systems with Siesta code. Then how to go for low temperature in calcultaion, either one should go for lowering electronic temperature (smearing parameter) or use MD calculation. I want to study low temperature effect on the metal -oxide interface and I am changing electronic temperature from 300 to 12K but getting neglegible difference in DOS and energy.
http://departments.icmab.es/leem/siesta/Documentation/Manuals/siesta-3.1-manual/node53.html
Dear friend, very interesting question. I am interested to your question and will explain in detail soon (similar to my case). A bit hurry for this time, please remind me.
However, the easiest way is searching the related document by typing the keywords into google scholar. You will find some related articles.
If yet to find the articles, do not hesitate to let me know. InsyaALLAH I will help you in detail.
Good luck. Dr Zol Bahri - Universiti Malaysia Perlis
Hi there, The electronic temperature in Siesta, as you said, is related to the regularization of the Fermi-Dirac distribution, which in fact gives the first order correction to the thermodynamic properties of the system. By setting the electronic temperature close to zero you are eliminating this corrections. Regarding you specific question, every DFT code works at zero temperature with only the first correction given by the smearing you just state.
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