TDHF calculation for structure optimization

[Gu Chenjie]

Recently, we are looking into the defect structure under the excited state (under the laser irradiation or e-field stress), however the problem is we don't know how to obtained the stable structure under this excited state, although TDHF is capable to calculate the response function including the excitonic effects. . Here we would like to pray any expert on this field that share some ideas on this problem. Thanks.

[support_vasp]

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.

Best wishes,

VASP