[DFTB-Plus-User] eigvev.out & oversqr.dat
dengfenglin
dengfenglin at nimte.ac.cn
Thu May 13 10:37:36 CEST 2021
Dear Dr. Bálint Aradi
Thank you for your immediate response!
Actually I do use the complex conjugate of eigenvector. In my previous
mail, I wrote
> C=
>
>
> 0.585064 - 0.000778im
> -0.006024 + 0.041804im
> -0.006024 + 0.041804im
> -0.006024 + 0.041804im
> -0.111193 - 0.574401im
> 0.039879 - 0.013912im
> 0.039879 - 0.013912im
> 0.039879 - 0.013912im
> C^T=
>
> 0.585064+0.000778im -0.006024-0.041804im … 0.039879+0.013912im
I think maybe some important options were not set correctly during
calculation.
Best regards!
Fenglin
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