SPRING-ISPRING

Queries about input and output files, running specific calculations, etc.


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mgarcia
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SPRING-ISPRING

#1 Post by mgarcia » Tue Jan 02, 2007 3:00 pm

Hi,
I'm using the NEB method and I'd like know something more about SPRING and ISPRING parameters, what are their suitable values?

Thank you,
Last edited by mgarcia on Tue Jan 02, 2007 3:00 pm, edited 1 time in total.
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admin
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SPRING-ISPRING

#2 Post by admin » Thu Jan 04, 2007 3:51 pm

for an NEB calculation, SPRING = -5
Last edited by admin on Thu Jan 04, 2007 3:51 pm, edited 1 time in total.
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isaaclee
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SPRING-ISPRING

#3 Post by isaaclee » Thu Jan 18, 2007 3:10 am

I think the follow web will be helpful
it is about the parametes of the NEB method
www.catalysis.nl/~bouke/present/VASP-VNEB-parmstnd.html
Last edited by isaaclee on Thu Jan 18, 2007 3:10 am, edited 1 time in total.
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mgarcia
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SPRING-ISPRING

#4 Post by mgarcia » Fri Mar 09, 2007 3:06 pm

Thank you very much
Last edited by mgarcia on Fri Mar 09, 2007 3:06 pm, edited 1 time in total.
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