[CPMD-list] Using SCALE with a triclinic crystal

[mkosmows]

Dear CPMD community:
 
I received the following message while doing a geometry 
optimization:  MULTTB| SUPERCELL ATOMS FORM NO BASIS FOR THIS 
POINT GROUP.
 
I think this is because I tried to invoke the SCALE keyword 
while using a triclinic crystal lattice.  Is there a way to 
use fractional coordinates in crystals where alpha, beta and 
gamma are not all 90 degrees?  Or does one simply need to 
enter in cartesian coordinates in these cases?
 
Thank you,
 
Mark Kosmowski

Chemistry Department
Syracuse University
mkosmows at syr.edu