To whom it may concern:
I'm trying to resolve a high accuracy CG relaxation.
minimize 1.0e-12 100000 500000
In the input, and relaxation is done. Then I increase the accuracy and tries to continue from there:
minimize 1.0e-15 100000 500000
To my suprise, the relaxation runs two steps and stop. In the log file, I can see the total energies are identical and the xyz positions of the atoms are also identical.
I checked the maximum force and found it is 0.00044 eV/Ang. It is a mistery that the position doesn't change at all.
Is there something I did wrong?
Thanks for the help.