[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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