[Octopus-users] EM response error
Robertson.Burgess at newcastle.edu.au
Wed Sep 10 03:16:52 WEST 2008
Dear Octopus Users,
I am trying to model the EM response of small metallic clusters. The system I am working on at the moment is a cluster of 20 Gold atoms. I ran a ground state calculation successfully, and then tried to perform a em-resp calculation.
After a short time it crashed, the end of the log file reads:
Input: [AbsorbingBoundaries = no_absorbing]
Info: Setting up Hamiltonian for linear response
Assertion "ubound(psi, DIM=1) == gr%m%np_part" failed in line 71 in file "h_inc.F90"
This problem does not occur when I do not input an imaginary component of the frequency.
The inp file that produces this crash is below:
systemname = 'au20'
calculationmode = 8
100 | 1 | 4
I got the value of 0.1eV for the imaginary frequency at the recommendation of the manual. Is there something wrong with my input, that is causing this error only for EMEta/=0? Any help with this would be greatly appreciated.
Looking forward to your reply,
University of Newcastle
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