[CPMD-list] help

[cdy2000 at vip.sina.com]

Hello, every CPMDer!

Thank Isaev's help.

Another problem, when I optimize the geometry and the wavefunction of a cluster, error output, the info is:

PROGRAM STOP IN SUBROUTINE RGMOPT|  SIMUL NOT WORKING

what's meaning? what is RGMOPT? How should I do?

Thanks for any help.

Sincerely Cao Dayong
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