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by amsalu
Wed Jul 06, 2005 6:53 pm
Forum: VTSTTools
Topic: Transition State Calcu.
Replies: 2
Views: 17982

Transition State Calcu.

I have problems in running the job. I have created four subdirectories from 00 ..03 in the main directory in which vasp is started. Each subdirectories has one POSCAR file. But when I execute the program with the following INCAR files SYSTEM = Elastic Band Method SPRING= -5 IMAGES= 2 IBRION=3 POTIM ...