[QE-users] energy increase in nvt aimd simulation

naval singh navalsingh133 at yahoo.com
Wed Nov 9 05:35:36 CET 2022


 this the kind of graph i am getting for the energy 


    On Wednesday, 9 November, 2022 at 03:46:58 am IST, Lorenzo Paulatto <lorenzo.paulatto at cnrs.fr> wrote:  
 
  
nope. 
 
 
we need more details
 

 
 On 08/11/2022 22:59, naval singh via users wrote:
  
 
 sdear all, i am performing md simulation on 2d sytem the temperturtre fluctuation is coming fine but the e total with time is increasing , any suggestion
   
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 Dr. Lorenzo Paulatto
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The Quantum ESPRESSO community stands by the Ukrainian
people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
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