NEB calculation
Posted: Wed Aug 06, 2008 5:10 pm
Hi every one.
when i prepared my subdirectory, i must put the POSCARS and POTCARS of my intermedates images in their subdirectory?
2) How interpolate this Image and witch file i will obtain in the end of calcul?
Thank you.
when i prepared my subdirectory, i must put the POSCARS and POTCARS of my intermedates images in their subdirectory?
2) How interpolate this Image and witch file i will obtain in the end of calcul?
Thank you.