Topics

1

General Questions and Answers / about the MD analyzer---voidsize distribution

« on: May 3, 2017, 03:55 »

Dear there,

Could anyone explain the meaning of the parameters (resolution and element) and the plots in the MD analyzer/voidsize distribution.

Thanks very much

2

General Questions and Answers / the NEB method under bias voltage

« on: May 17, 2013, 05:08 »

Hi, i am wondering whether i could run a NEB simulation under certain bias voltage by using ATK?
If it works, are there some published papers on this point?
Thanks a lot!

3

General Questions and Answers / the partial charge density corresponding to the band structure

« on: November 21, 2011, 07:12 »

Dear users
how could i calculate the partial charge density corresponding to the certain band in band structure.

4

General Questions and Answers / planar/microscrope charge density/potential

« on: October 15, 2011, 05:34 »

Dear all,
How can l plot the planar/microscrope  charge density/potential curve by using ATK?

5

General Questions and Answers / can i use vnl to build a probe like this: Cu(111)/Ta2O5(001)/Cu(111)

« on: October 11, 2011, 04:26 »

help! thanks