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sample input for tdhf

Posted: Fri Oct 09, 2009 6:23 pm
by deyulu
Dear yambo developers:
I have some trouble to use the new TDHF feature in version 4.8.5.
Could you provide a sample input? I also want to double-check that I don't
need to generate epsilon^-1 to perform tdhf, right?

Many thanks
Deyu Lu

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Deyu Lu (Ph.D)

190 Chemistry Building
University of California, Davis
One Shields Avenue
Davis, CA 95616
Office phone: (530) 754-9663
Group Webpage: http://angstrom.ucdavis.edu/

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Re: sample input for tdhf

Posted: Tue Oct 13, 2009 10:26 am
by andrea marini
deyulu wrote:Dear yambo developers:
I have some trouble to use the new TDHF feature in version 4.8.5.
Could you provide a sample input? I also want to double-check that I don't
need to generate epsilon^-1 to perform tdhf, right?
Dear Deyu Lu,

sorry but I forgot to switch off the barriers in the GPL revision 485 that were not permitting to perform TDHF calculations :? Please do an svn up and in the latest revision (487) the problems have been solved. And yes, you're right, Yambo will not calculate/need the epsilon^-1 when you do TDHF calculations.

Re: sample input for tdhf

Posted: Wed Oct 14, 2009 6:15 am
by deyulu
Thank you, Andrea. Now the tdhf part is working.

Deyu