Topics

1

General Questions and Answers / query about warnung message

« on: December 17, 2013, 14:12 »

I am unable to understand that what is the meaning behind this message - ################################################################################
# WARNING                                                                      #
#                                                                              #
# The computed TB09 meta-GGA exchange-correlation potential                    #
# diverged in   0.60 % of the simulation volume, and was                       #
# truncated to be in the range [-10.0000,  10.0000] Hartree                    #
#                                                                              #
################################################################################

what changes should i do to avoid this message ? what are the steps which should be written in the script to avoid this warning message ?
thank you for helping !

2

General Questions and Answers / Sillicon nanowire

« on: December 17, 2013, 12:53 »

can you tell me how to find out the refractive index and absorption coefficent of Sillicon Nanowire and titanium nanowire?