Maximum number of rotations in a Dimer run
Posted: Tue May 31, 2011 7:47 pm
Hello!
My dimer run is proceeding smoothly with torque below 2.0, rotation angles less than 0.5 degrees, and the imaginary frequency stable. Is it ok to reduce DRotMax to 2 or 3 in this case to speed up the calculation?
Thank you in advance-
Vladimir
My dimer run is proceeding smoothly with torque below 2.0, rotation angles less than 0.5 degrees, and the imaginary frequency stable. Is it ok to reduce DRotMax to 2 or 3 in this case to speed up the calculation?
Thank you in advance-
Vladimir