Dear developers and users
I am trying to calculate absorption coefficient for graphene flake, I am
faced the following error during turbo_lanczos step
Lanczos iteration: 16 Pol:1
lr_apply_liouvillian: applying interaction: normal
alpha(00000016)= 0.000000
Error: Beta is negative: -0.180579895085004E+04
!!!WARNING!!! The pseudo-Hermitian Lanczos algorithm is stopping...
Try to use the non-Hermitian Lanczos algorithm.
Although, I am calculated all steps for Benzene without any problems. Also
two files created named evc1_1.dat and evc1_2.dat
Thanks
*Mohammed A. Abdelati*
*Assistant Lecturer*
Laser Applications in Metrology Photochemistry and Agriculture (LAMPA)
Department, National Institute of Laser Enhanced Sciences (NILES), Cairo
University, Giza, Egypt.
Mobile +20 1009752922
Home +201152605076
E-mail [email protected]
5x5-H.lanczos.out
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5x5-H.lanczos.in
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5x5-H.scf.in
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5x5-H.scf.out
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