| Re: Where does the discontinuity of the applied electric sawtooth potential occur in the super cell? ( No.1 )|
- Date: 2017/06/27 14:52
- Name: T. Ozaki
OpenMX automatically analyzes the geometrical structure you give, and try to place the
discontinuity in the middle of vacuum. So, you do not need to worry about the absolute
position of the structure. Using v0.cube and v1.cuve files, you can confirm where the
discontinuity is placed.
| Re: Where does the discontinuity of the applied electric sawtooth potential occur in the super cell? ( No.2 )|
- Date: 2017/06/29 10:27
- Name: Xiangyang Peng <firstname.lastname@example.org>
- Thank you very much for your prompt reply.
| Do I need ESM method in OpenMx calculation when applying external electric field for a monolayer ? ( No.3 )|
- Date: 2018/02/02 10:45
- Name: Santu Baidya <email@example.com>
- I have the related question regarding applying external electric field in Openmx for a monolayer with vacuum along z-direction. Can you please tell me if ESM tags need to be included during applying external electric field.