Hi,

Thank you for your response! I was able to calculate the ed.plt map and found that the

problems came from egrad (turbomole-6.3.1) as follows:

1) Egrad implementation does not allow COSMO calculations for implicit solvent effect

2) Egrad does not work with RI options, so those keywords have to be removed if

RI is used in SCF optimization

3) After a ground state optimization, Egrad needs the following in the control file

(for a first excited state & ground state difference, c1 molecule symmetry)

$exopt 1

$pointval dens

$scfinstab rpas

$soes

a 1