Hello, every vasp user:
I have encountered a problem about the external electronic field. My system have a 10A cacuum layer along z axis.
1. In POSCAR file, I put the positions of atoms in the middle of the cell along Z axis. Meanwhile I add a external electronic field 0.1eV/A along Z axis, the scf will not convergence.
2. But if I put the positions of all atoms not in the middle but in the one side of the cell along Z axis. The scf can convergence well.
I want to know WHY? Whether the electronic field is related to the positions of atoms in POSCAR file.
problems about electronic field
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xinhuanwen
problems about electronic field
Last edited by xinhuanwen on Wed Sep 12, 2012 3:47 pm, edited 1 time in total.
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support_vasp
- Global Moderator
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Re: problems about electronic field
Hi,
We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.
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