Dear Developers,
I run tddft and the o.eps... output file has 5 coulums
like:
E/ev[1] eps_q /Im[2]eps_q /Re[3]eps_q0/Im[4]eps_q0/Re[5]
#
0.000 0.1756E-06 5.076 0.6861E+09 0.6996E+10
0.10101 0.39325E-3 5.0837 93.912 -2352.5
0.20202 0.25928E-2 5.1084 30.120 -571.87
0.30303 0.99783E-2 5.1499 24.142 -247.23
0.40404 0.20551E-1 5.2082 18.476 -138.23
0.50505 0.42397E-1 5.2926 16.150 -86.783
as you see the Im data in coulum 2 and 4 are very different!!
can you please teel me what is the meaning of the eps_q /Im[2] and eps_q0/Im[4]?
best regards
Samaneh
TDDFT
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Daniele Varsano
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Re: TDDFT
Dear Samaneh,
eps is the imaginary part of epsilon on in the requested approximation (in your case TDDFT) , thr 0 sufiix in column 4 and 5 is the same in the non interacting particle approximation (Fermi Golden Rule), which is ofter useful for comparison.
Best,
Daniele
eps is the imaginary part of epsilon on in the requested approximation (in your case TDDFT) , thr 0 sufiix in column 4 and 5 is the same in the non interacting particle approximation (Fermi Golden Rule), which is ofter useful for comparison.
Best,
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/