From DoSPT
Jump to: navigation, search

The smooth keyword is an optional keyword in the input file. It takes 1 logical argument, .true. or .false.. When used, it applies a LOWESS filter to smooth out the DoS. This can help stabilize entropy calculations with insufficient sampling due to the noise in the DoS. The locality of the smoothing is optionally tuned with the sigma_nu keyword. See an example below:

Smooth 01.png


Summary for smooth keyword
Required/optional Type Accepted values Default See also
Optional Logical .false./.true. .false. Input file, sigma_nu


smooth = .true.