Quoting Madhura Marathe <madhura at jncasr.ac.in>: > Dear all, > > While performing convergence calculations w.r.t energy cut-off for a bulk > system, I found that the number of symmetry operations detected by a code > is different depending on the value of ecut. This is very surprising > because for the same system, the symmetries should not depend on the ecut > value.
Dear Madhura, your question is the complementary one to a Frequentedly-Asked Question (FAQ), when the code suppresses some symmetry operation because they are incompatible with the FFT grid a warning is issued. See this page <http://quantum-espresso.org/user_guide/node57.html> for more details. regards -- Lorenzo Paulatto formerly at: SISSA & DEMOCRITOS (Trieste) skype: paulatz www: http://people.sissa.it/~paulatto/ *** save italian brains *** http://saveitalianbrains.wordpress.com/ ---------------------------------------------------------------- SISSA Webmail https://webmail.sissa.it/ Powered by Horde http://www.horde.org/
