Smooth
From DoSPT
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:
Summary
Required/optional | Type | Accepted values | Default | See also |
---|---|---|---|---|
Optional | Logical | .false./.true. | .false. | Input file, sigma_nu |
Example
smooth = .true.