QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: piyush_cuj on December 29, 2012, 06:22

Title: geometric optimization
Post by: piyush_cuj on December 29, 2012, 06:22

hey,
i was running the geometric optimization of a ZigZag nanowire with one end passivated with hydrogen...it is taking too much time (almost 18 hours and still running.....)....a i doing something wrong or will it take this much time?

Title: Re: geometric optimization
Post by: kstokbro on December 29, 2012, 23:50

it sounds very long,
without seeing your script it is difficult to help, maybe you have too many k-points ?