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
***************************************************************************
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/
***************************************************************************
sample input for tdhf
Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, andrea marini, Daniele Varsano, Conor Hogan
-
andrea marini
- Posts: 325
- Joined: Mon Mar 16, 2009 4:27 pm
- Contact:
Re: sample input for tdhf
Dear Deyu Lu,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?
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.Andrea MARINI
Istituto di Struttura della Materia, CNR, (Italy)
Istituto di Struttura della Materia, CNR, (Italy)
-
deyulu
- Posts: 9
- Joined: Thu Oct 01, 2009 5:31 pm
Re: sample input for tdhf
Thank you, Andrea. Now the tdhf part is working.
Deyu
Deyu