Hi,
I'm trying to optimize a crystal with B97-3c with the following input:
Gycine beta form
CRYSTAL
0 0 0
4
5.0932 6.272 5.3852 113.19
10
{N x y z}*10
OPTGEOM
FULLOPTG
ENDOPT
BASISSET
mTZVP
DFT
B973C
ENDDFT
SHRINK
0 4
5 4 5
ENDSCF
However, it failed with message "ERROR **** CRYSTA **** KEYWORD MTZVP NOT ALLOWED".
Although, it runs well when I remove "OPTGEOM \ FULLOPTG \ ENDOPT".
Do I do anything wrong or is this a known issue?