QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: huckelbuckel on February 10, 2012, 11:15

Title: Warning msg : Graphene junction
Post by: huckelbuckel on February 10, 2012, 11:15

I was running some transmission spectra calculations for Graphene junction device. I used multi grid solver keeping Neumann boundary condition for electrodes and Dirichlet for central regions .K points were kept as 1X1X51 using extended huckel device calculator.The calculation is running fine but i am getting warning messages in the log as shown below.What i should do to correct this? ???

################################################################################
# WARNING                                                                 
#                                                                             
# The computed multigrid residual is greater than the required accuracy.     
#                                                                             
# Computed residual :   1.29180e-010                                           
# Required accuracy :   1.00000e-012 

Title: Re: Warning msg : Graphene junction
Post by: Anders Blom on February 10, 2012, 12:07

There are several posts about this on the Forum already. Short answer is don't worry. Search the Forum for a bit more info if you are interested.

Title: Re: Warning msg : Graphene junction
Post by: huckelbuckel on February 10, 2012, 12:29

ok, these residuals are very small in magnitude  and close to the required ones...so all is ok.