probleme with converging in energy
celio angel
adil.e... at gmail.com
Mon Jun 2 14:24:30 UTC 2014
Dear all users of CP2K.I could encounter a problem during the convergence
of energy all convergence criteria are satisfied a condition of energy in
"Decrease in energy "., And it displays the following message
*** 23:30:07 WARNING in force_env_methods:force_env_calc_energy_force ::
***
*** The calculation of stress tensor requires the calculation of forces
***
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