[CPMD-list] warring! No wavefunction velocities

WANG, YIXUAN WANGYI at engr.sc.edu
Tue Dec 16 01:24:31 CET 2003


Dear Colleagues,

  I found a warning in my MD job when I start a MD run after wave function optimization
 with restart wavefuction.

   RV30| WARNING! NO WAVEFUNCTION VELOCITIES

  Even I include velocities in the restart line, the warning still appear.
  Does somebody know how to include wavefunction velocities and its influence?
  Thanks.

  Yixuan



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