| Re: alignment of band structure with vaccum level ( No.1 )|
- Date: 2016/09/21 18:50
- Name: Artem Pulkin
- 1. The vacuum level for 2D structures is at zero, more or less.
2. You may find the vacuum level as the value of electrostatic potential of vacuum in .vhart.cube output by OpenMX.
3. You may use ESM by OpenMX http://www.openmx-square.org/openmx_man3.7/node118.html It sets the vacuum level to zero exactly to the best of my knowledge
| Re: alignment of band structure with vaccum level ( No.2 )|
- Date: 2016/10/16 19:03
- Name: T. Ozaki
The vacuum level can be obtained from the value of electrostatic potential
at the vacuum region stored in the vhart.cube file.