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TDHF calculation for structure optimization

Posted: Tue Apr 10, 2018 4:59 am
by 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. :)

Re: TDHF calculation for structure optimization

Posted: Wed Sep 11, 2024 3:43 pm
by support_vasp

Hi,

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