TDDFT
Posted: Mon Feb 08, 2016 12:38 pm
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
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