Messages

16

General Questions and Answers / Re: The spin magnetic tunnel junction cant get converged

« on: February 22, 2019, 08:54 »

I have tried  the method in this guide,but the results are worse than before .I dont know why the bad concergence happen.

17

General Questions and Answers / The spin magnetic tunnel junction cant get converged

« on: February 21, 2019, 14:24 »

Dear  Quantumwise staffs:
  I  calculated  a magnetic tunnel junction  with exchange correlation SGGA-PBE ,but  I cant get  converged.  the best  result  is  dE and dH can reduce to  10-3.
I  have  tried all  methods  in  the convergence  guide but failed ,   and  all  pseudo potential  are tested  ,but it  does not work , could  you  please  help me ?  thank  you 
  my log file is over 400k  I cant post it