[CPMD-list] Slow geometry optimization

[Sergei Lisenkov]

Dear CPMD users/authors,

I am perfoming a geometry optimization of a cluster containing 96 atoms on parallel machine using 44 processors. I use a Conjugate gradient method and Goedecker pseudopotential. I ran this task two weeks ago and now I cannot reach the convergence. With another DFT code (PWSCF) it tooks a 2 days for full optimization. Could anybody give me some descriptions?

 Thank you very much,
   Best wishes,
     Sergey