Messages

1

General Questions and Answers / Re: Sillicon nanowire

« on: December 18, 2013, 09:50 »

I actually went through your tutorial and used your script for finding out the refractive index and absorption coefficient . I pasted your script in the editor and found out the absorption coefiicient and refractive index of Sillicon crystal which is mentioned in the tutorial !
But when i tried for sillicon nanowire using the same script , it is showing the the grpah for absorption coefficient but doesnt show for refractive index

thank you for helping

2

General Questions and Answers / Re: query about warnung message

« on: December 18, 2013, 09:37 »

Rev.

I am already using the ATK 13.8 version and still i m getting the warning ! instead of MGGA can i use the GGA-RPBE for calculating optical spectrum ?

3

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 !

4

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?