timestep for REAL_TIME_PROPAGATION

Hanning Chen chenh... at gmail.com
Sat Apr 18 05:30:00 UTC 2009


Dear CP2k users,
  I am learning to run an electron dynamics calculation with fixed nuclei
position. In the input file, I guess the Section
&CP2K_INPUT/&FORCE_EVAL/&DFT/&REAL_TIME_PROPAGATION is the place. Is there
any way to specify a time step for the wave function propagation, or the
time step is automatically determined by the variable %EXP_ACCURACY%?

  Thanks.

Hanning Chen

Department of Chemistry
Northwestern University
Evanston, IL 60208
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