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  
***
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20140602/3f9f37e2/attachment.htm>


More information about the CP2K-user mailing list