| Re: VPS and PAO grids ( No.1 )|
- Date: 2017/03/10 00:17
- Name: T. Ozaki
OpenMX assumes that the grids is defined to be logarithmic.
The other types of grids such as linear spacing cannot be accepted.
> Are there any other grid restrictions: min, max, step, number of points?
There is no restriction.
How OpenMX analyzes these files can be found in Read_VPS() and Read_PAO()
functions of SetPara_DFT.c.