Messages

1

General Questions and Answers / Re: Multiwall CNT

« on: April 16, 2012, 09:44 »

how do i attach a molecule to particular site in nanotube......

2

General Questions and Answers / Re: Multiwall CNT

« on: April 9, 2012, 12:08 »

is this facility is not available in 11.2.2 version
  how do i choose wurtzite unitcell type or other like zinc blend and all that

3

General Questions and Answers / Multiwall CNT

« on: April 9, 2012, 11:41 »

Can i study multiwall nanotube with this simulation tool???

4

General Questions and Answers / Re: Symmetry points

« on: February 6, 2012, 07:08 »

Thank's

5

General Questions and Answers / Re: Symmetry points

« on: February 4, 2012, 07:16 »

here are the snap shots....

6

General Questions and Answers / Re: Symmetry points

« on: February 4, 2012, 07:12 »

Dear sir,
      I have GaN naotube without optimization there is bond between both Ga-Ga and Ga-N but after optimization there is bond between Ga-N only,,,,what's the meaning of this?  plz help me..........

7

General Questions and Answers / Re: Symmetry points

« on: February 1, 2012, 07:43 »

what is unit cell padding in custom menu and why it is only in xy direction ,i searched in manual but not cleared? plz help me

8

General Questions and Answers / Re: Symmetry points

« on: January 31, 2012, 09:30 »

i have CNT (15,0) optimized, in 3-d properties of this figure it is shown under geometry box radius and length, is it a length and radius of CNT if it is then it is wrong according conventional formulae of diameter,,,, please guide  ,,,,,,,,,,,,,,,?

9

General Questions and Answers / Symmetry points

« on: January 30, 2012, 13:16 »

how to calculate total no. of k-points used in the calculation as other software like castep shows in their window