ECP in GAMESS error
Dear CCLers
I've just encountered an extremely annoying and I think unusual error:
Yesterday I ran a GAMESS (PC-version) calculation which used ECP for Ag
via ECP=READ in $CONTRL and specifying the ECP in $ECP as
AG-ECP GEN 28 3
and the SBKJC parameters
and everything went just fine
Today I did another inputfile (added 3 more Ag:s) and now I get
--------------
ECP POTENTIALS
--------------
**** ERROR READING VARIABLE IZCORE CHECK COLUMN 15
1 ----- f potential
-----
....V....1....V....2....V....3....V....4....V....5....V....6....V....7....V....8
whatever I try. Any suggestions ? The IZCORE is at the same place as it
was yesterday...
/P
--
Dr. Patrik Johansson
Act. Lecturer
Materials Physics
Chalmers University of Technology
patrikj &$at$& fy.chalmers.se