UT theoretical chemistry code forum

Thank you; I'm not sure I completely understand. When I use nebmake.pl the interpolated image POSCAR's appear in my directory, after which I perform SCF. Where here would SSNEB be implemented? I am also unsure of how this would be done using the scripts in vtstscripts.tgz.

Could you explain how to implement SSNEB when interpolating images? I have thus far been using nebmake.pl to get intermediate structures but would like to refine my images using solid-state as the cell vectors are changing.

Hello,

Is there a way for me to use nebmake.pl while constraining the volumes of my cell to be the same at each image? I am changing the unit cell type and would like for this be controlled.

Thanks.

Thank you! I looked more into it and think everything is working now.

Hello,

I am using VTST to model a transition pathway using NEB. Despite the fact that my beginning and end images (in folders 00 and 11 respectively) contain POSCAR and OUTCAR files, I consistently receive a message upon output of the interpolated images that "FOR LATER ANALYSIS, PUT OUTCARS IN ...