Messages

31

General Questions and Answers / Animated GIF not working in Movie Tool

« on: November 8, 2015, 17:17 »

In Movie Tool, I right-click on the image, choose "Export Animated GIF", choose a file name, and press OK, but no file is generated.  A message appears on image "generating movie -- please wait".  But nothing happens.   VNL still runs OK.   

I have the Demo version of VNL 2015.rc2.  Is creating the animated GIF disabled?  I'm running Ubuntu 14.04.

Mark

32

Scripts, Tutorials and Applications / Re: NEB and Vasp

« on: November 8, 2015, 16:58 »

The problem was that both cells have to be exactly the same.  Now it works! 

Thanks.

33

Scripts, Tutorials and Applications / Re: MoS2 Nanotube

« on: November 8, 2015, 16:55 »

Hi Jess -- That worked!  Thanks.

Mark

34

General Questions and Answers / MoS2 2H-1T NEB transition

« on: November 5, 2015, 22:14 »

I successfully worked through the Platinum NEB tutorial, and want to apply NEB to a MoS2 2H-1T transition.  I can do this using ase-python, but unclear how to configure the 2H and 1T slabs using VNL.  Any suggestions?  I'm still learning how to use VNL after having worked with ase-python.

Thanks,
Mark

35

Scripts, Tutorials and Applications / NEB and Vasp

« on: November 4, 2015, 23:39 »

I have successfully  run the Platinum NEB tutorial, but it uses a local calculator, rather than generating vasp files.  Is there a way to re-direct the Job Manager to produce vasp files? 

Thanks,
Mark

36

Scripts, Tutorials and Applications / MoS2 Nanotube

« on: November 3, 2015, 21:27 »

I'm following the MoS2 Nanotube tutorial, but I've been unable to duplicate the nanotube.  I've read other helpful posts regarding this topic.  I'm using 2015.rc2.

I use the improved transformation, swap x <=> y, repeat A=20, and replicate the video up to time-frame at 2:58.

However, what happens between 2:58 and 2:59??  A significant unexplained transform takes place.  What is needed to make the cell look like 2:59?

Thanks,
Mark