[Octopus-users] EM response error

[Robertson Burgess]

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

units=2
%species
'Au'|196.9666|spec_ps_psf|79|3|0
%

extrastates=1

XYZCoordinates='Au.ANI'

ConvAbsDens=2.5e-5
EigensolverFinalTolerance=1.e-8
BoxShape=1

Radius=10

SpinComponents=2
Spacing=0.2

%Boxoffset
  10|10|-10
%

FromScratch=yes

periodicdimensions=0

#XCFunctional=lda_x
#Cfunctional=lda_c_pz

%EMFreqs
100 | 1 | 4
%
EMEta=0.1

MaximumIter=200

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,
Robertson Burgess
University of Newcastle