[Octopus-users] Time propagation - 3 PolarizationDirections in 1 run

Eduardo Pompilio da Silva edu.pompilio at googlemail.com
Thu Mar 25 12:28:38 WET 2010


Dear Octopus users,

when running a CASIDA calculation it is possible to write the input file in
such a way
%CalculationMode
     gs | unocc | casida
    "dir1" | "dir2" | "dir 3"
     1 | 2| 3
%

that one single input file is sufficient to execute these 3 steps one after
the other.

Since I am interested in a time propagation for all 3 axes, normally I have
to write 3 inp files
with TDPolarizationDirection = 1, 2 and 3.
The question is, is there a way to specifiy the input file for a time
propagation in order to perform all the 3
polarization directions in one run?
Thank you in advance for your help.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.tddft.org/pipermail/octopus-users/attachments/20100325/0779edc6/attachment.html 


More information about the Octopus-users mailing list