QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: esp on October 28, 2012, 06:43

Title: max iterations for non converging systems?
Post by: esp on October 28, 2012, 06:43

i seem to be coming up with a lot of non converging graphene tfet devices .. i am tired of retsarting my jobs ... the thing is it happens only for some bias values .. is there a way to specify a max iteration limit so it can just move on to the next bias?  another question is, what will happen if it does not converge, will it just run forever ?  i have a job running now at step 70, about 9 hours ... i dont want to kill it, but i dont know how long it will go on ... what can i do?

Title: Re: max iterations for non converging systems?
Post by: Nordland on October 28, 2012, 15:52

The default is 200 steps. You can read more about it here http://www.quantumwise.com/documents/manuals/latest/ReferenceManual/index.html/ref.iterationcontrolparameters.html

Title: Re: max iterations for non converging systems?
Post by: esp on October 28, 2012, 17:04

oh i see i apologize so we can set a max .. then what happens? will it throw an exception?

Title: Re: max iterations for non converging systems?
Post by: Nordland on October 28, 2012, 17:46

The older version used to throw an exception, but the due to popular demand it now writes a warning to the screen/log