Exciton analysis after TD-DFT (using ALDA)

[Daniele Varsano]

Dear Vipul,

please note that the electron/hole average density is defined in the unit cell so it will not provide information on the exciton localization in bulk systems.
I do not know if it is implemented in yambopy, anyway you can safely reduce the FFT in ypp. You will have a coarser real space grid but then interpolation can be done using standard plotting tools.

Best,
Daniele

[harrier_class]

Dear Daniele,

Thanks for your reply.

Yes, I reduced the FFTGrid value and could get the plots. Thanks.

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Best regards,
Vipul