[Pw_forum] error

amitharani amitharani at nal.res.in
Tue Oct 7 10:36:20 CEST 2014


Hi
I am trying to run the calculation for interaction of  benzotriazole 
molecule with Al slab. On Xcrysden the structure looks fine, but I am 
getting the error 1&3 overlap when I am running the calculation on 
parallel system. It runs fine on my friends machine (serial). Any 
suggestions.

best wishes
amitha
Dr.B.E.Amitha Rani
Principal Scientist
9481025441
080-25086473
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