OUTCAR File Reading
Posted: Wed Nov 02, 2022 8:49 pm
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 FOLDERS 00 AND 11!" I would like to know if this is a reflection of the program not recognizing my existing files there or if this is a default reaction of the command.
Thank you.
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 FOLDERS 00 AND 11!" I would like to know if this is a reflection of the program not recognizing my existing files there or if this is a default reaction of the command.
Thank you.