| Re: Outputting core electron density? ( No.1 )|
- Date: 2020/06/26 16:27
- Name: Naoya Yamaguchi
For visualizing core electron density, the following page in the manual of ADPACK may be useful:
| Re: Outputting core electron density? ( No.2 )|
- Date: 2020/06/27 22:40
- Name: T. Ozaki
If you do not hesitate to make program codes, this can be possible.
All the information you need to construct all electron density can be available.
The total and valence elecron densities are stored in the vden file as mentioned at
The vden file can be obtained by ADPACK.
So, once you get the cube file of charge density by OpenMX, you can add core density
to the valence density.