subject:"\[Wien\] Quick question about convergence criteria"

Re: [Wien] Quick question about convergence criteria

2017-09-12 Thread Luis Ogando

Thank you Oleg ! All the best, Luis 2017-09-12 9:47 GMT-03:00 Rubel, Oleg : > Usually forces are most difficult to converge. I bet that by the time > forces are converged within 1 mRy/Bohr your energy and charge are converged > much better than your

Re: [Wien] Quick question about convergence criteria

2017-09-12 Thread Rubel, Oleg

Usually forces are most difficult to converge. I bet that by the time forces are converged within 1 mRy/Bohr your energy and charge are converged much better than your initial request. Oleg > On Sep 12, 2017, at 08:03, Luis Ogando wrote: > > Dear Wien2k community, > >