B. Koa
barfi.koa@gmail.com
When I try to run my file which includes 1 ECP I get :
*** ERROR *** NO $ECP GROUP FOUND FOR ECP=READ
I have used external basis sets and ECP for a molecule that has 220 atoms. I appreciate your help to solve the problem in advance.
B. Koa
This is the ECP group:
$ECP
C-ECP NONE
C-ECP NONE
C-ECP NONE
NI-ECP GEN 10 2
3 ----- d potential -----
-10.0000000 1 469.9324331
-69.4084805 2 85.4236411
-12.0951020 2 21.2674984
4 ----- s-d potential -----
3.0000000 0 162.1686097
22.0253618 1 176.5333232
443.0181088 2 68.9562010
145.5696411 2 13.5792838
4 ----- p-d potential -----
5.0000000 0 69.0181506
4.9882824 1 275.5955596
256.6945853 2 47.1315453
78.4754450 2 12.9874075
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
$END