[Wien] STM

[Lawal Mohammed]

Dear Prof. Laurence and Peter,
 Thank you very much for making it more clear. 

It looks like I have to copy from the UG STM mode of lapw5, because in case.in5 from SRC_templates, the STM mode lines are missing.

With kind regards.

Lawal 

 

    On Friday, December 7, 2018, 3:20:56 PM GMT+8, Peter Blaha <pblaha at theochem.tuwien.ac.at> wrote:  
 
 STM simulations make only sense for a surface. You cannot make STM for a 
bulk ???

3ddens does not include tip vibrations, but is very fast and 
conveniently lets you choose the best hight above the surface to 
reproduce experimental images.

Be careful with the STM mode of lapw5 in cases with angles differing 
from 90 degrees !

STM simulations are always a bit of an art, because the quality of the 
experimental STM images changes a lot with group / time / ....


Am 07.12.2018 um 03:32 schrieb Lawal Mohammed:
> Dear Developers and Users,
> 
> I need some advice on using the 3ddens program. My interest is to 
> simulate STM image of a 3D system to compare with our experimental results.
> My questions are:
> 
> Whether it's possible for 3D system.
> What determine the size of the grid points?
> Do I have to edit any file in my case directory before x 3ddens -XX?
> 
> I want to test run using TiC, what are the general tips? Any hint is 
> highly appreciated.
> 
> Thanks a lot for your time.
> 
> With kind regards.
> 
> */Lawal
> /*
> 
> 
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-- 
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