Where is the C6 dispersion coefficent printed?
Dear Developers,
I am trying to obtain the C6 dispersion coefficient from an RPA calculation using the C6
directive within the response
module.
In the output file, I get the even (?) Cauchy moments, but not the C6
coefficient explicitly. A RESPFUN.C8
file is also created, but from the manual I understand that this is just an intermediate file and I can not easily reconstruct the C6 coefficient from it.
Is the C6 coefficient printed somewhere directly, or can I obtain it in a simple way? Alternatively, should I re-construct the frequency-dependence from the Cauchy moment myself and integrate over the imaginary frequencies?
I can't seem to be able to attach files to this ticket, but here is the input I used:
**DALTON INPUT
.RUN RESPONSE
**INTEGRALS
.DIPLEN
.SPHMOM
1
**WAVE FUNCTIONS
.DFT
PBE
**RESPONSE
.TDA
*LINEAR
.DIPLEN
*C6
.C6ATM
.MAXMOM
10
**END OF DALTON INPUT