QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: kaypu on December 14, 2012, 03:20

Title: Question on initial state under bias
Post by: kaypu on December 14, 2012, 03:20

Dear QuantumWise staff:
     
     i  use initial state of low bias to calculate the state of high bias.  if the initial state of low state i used is an unconverged state(bias= 1.5V, dH=1E-1), fortunately, i got converged state(bias=1.6, dH=1E-5). is it safe to use this converged state to get TE or DOS under 1.6V?

Regards

Title: Re: Question on initial state under bias
Post by: Anders Blom on December 14, 2012, 06:05

Yes, it should be. You may also want to try to rerun the 1.5 V bias using the unconverged 1.5 V calculation as a start - it may work.

Title: Re: Question on initial state under bias
Post by: kaypu on December 14, 2012, 07:36

thank you professor Anders