Top Page > Browsing

DOS Gaussian smearing Date: 2022/10/10 19:20 Name: Michele Amato   <michele.amato@u-psud.fr> Dear all, I have a question (maybe trivial) concerning the Gaussian smearing used in a DOS calculation. When the DosMain post-processing tool asks "Please input a value of Gaussian (double) (eV)", to which parameter does it refer to? Does this value correspond to 2*sigma (where sigma is the standard value of Gaussian distribution) or to simply sigma? Thank you so much for your help! Cheers, Michele

Page: [1]

Re: DOS Gaussian smearing ( No.1 ) Date: 2022/10/10 20:34 Name: Naoya Yamaguchi Hi, According to http://www.openmx-square.org/openmx_man3.9/node71.html , It corresponds to a in exp(-E^2/a^2), where E stands for energy. Regards, Naoya Yamaguchi Re: DOS Gaussian smearing ( No.2 ) Date: 2022/10/13 01:00 Name: Michele Amato  <michele.amato@u-psud.fr> Thank you very much for your quick reply! Cheers, Michele

Page: [1]