QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: bfazi on October 16, 2015, 00:18

Title: MoS2 nanotube
Post by: bfazi on October 16, 2015, 00:18

Hi
I have tried to build a MoS2 nanotube within the Virtual NanoLab 2015.rc2 through the description which described in : http://quantumwise.com/publications/tutorials/item/100-mos2-nanotubes
But the output was wrong!!! I have check all the parameters and I could not understand what was wrong.
Help me please

Title: Re: MoS2 nanotube
Post by: Umberto Martinez on October 16, 2015, 08:09

Hi,
can you be more specific? maybe save and attach the structure you have obtained.
There is a tricky step which is swapping axes in order to reorient the structure to have the tube axis  of your final structure along C,