Nonadibatic caluclations failure with SMD solvent model

Questions
#1

Hi there, I found a nonadibatic caluclation failure with the SMD solvent model.
It may be a bug or caused by my input mistakes.

Please let me know what’s your opinion.
Thanks. :cowboy_hat_face:

Input file:

$molecule
0 1
C -0.959750 0.241930 -0.011920
C 0.446990 0.242050 -0.011870
C 1.151170 1.459990 -0.012690
C 0.446830 2.676860 -0.013680
C -0.958870 2.676710 -0.013970
C -1.663570 1.459890 -0.012720
H -1.506840 -0.705280 -0.012170
H 0.994350 -0.704990 -0.011840
H 2.244630 1.457710 -0.011690
H 0.987530 3.625980 -0.013980
H -1.499650 3.625710 -0.015380
H -2.757010 1.458500 -0.013820
$end

$rem
jobtype sp
basis 6-31G**
method pbe0
cis_n_roots 3
cis_singlets true
cis_triplets false
rpa true
CIS_DER_NUMSTATE 3
CALC_NAC true
set_quadratic false
set_iter 100
SOLVENT_METHOD smd
$end

$smx
solvent pentane
$end

$derivative_coupling
comment
0 1 2
$end

Error message:

 ---------------------------------------------------
             CIS Derivative Couplings
 ---------------------------------------------------
              between states 0 and 1
NCharge is 0
 get_w_dc time:  CPU 1.41 s  wall 0.09 s

 Q-Chem fatal error occurred in module libmdc/newfileman.C, line 384:

 FileMan error: End of file reached prematurely reading (288) bytes in file FILE_SM6_GRAD
#2

I think the issue arises from the lack of support for CIS/TDDFT gradient calculations with SMD solvent models as per Table 11.2 in the User Manual (11.2.1 Introduction‣ 11.2 Chemical Solvent Models ‣ Chapter 11 Molecules in Complex Environments: Solvent Models, QM/MM, QM/EFP, and Embedding Methods ‣ Q-Chem 6.2 User’s Manual). Also, refer to related discussion in the following topic: Problem with MECP for the ground states - #5 by farshadshiri.