Friends,
I am trying to do a simulated annealing run. My system includes hydrocarbons on metal surafce. When I run the Simulated Annealing without metal atoms, I am able to achieve desired temperature changes. However, when I include metals, temperature in the heating step blows up. I am using TEBEG= 300K
and TEEND=400K with SMASS= 12.
Any suggestions?
Thanks
Nishant
Simulated Annealing
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nishant
Simulated Annealing
Last edited by nishant on Mon Oct 16, 2006 5:00 pm, edited 1 time in total.
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support_vasp
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Re: Simulated Annealing
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