[QE-users] error in turbo_lanczos step

[Mohamed Ahmed Abd-Elati]

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    ma1986ff at yahoo.com
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20190421/c4745aae/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: 5x5-H.lanczos.out
Type: application/octet-stream
Size: 6413 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20190421/c4745aae/attachment.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: 5x5-H.lanczos.in
Type: application/octet-stream
Size: 235 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20190421/c4745aae/attachment-0001.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: 5x5-H.scf.in
Type: application/octet-stream
Size: 2236 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20190421/c4745aae/attachment-0002.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: 5x5-H.scf.out
Type: application/octet-stream
Size: 13805 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20190421/c4745aae/attachment-0003.obj>