NEB Transition State Calculation
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lcyin
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NEB Transition State Calculation
"LSCALAPACK=.FALSE."Is this setting necessary for NEB calculation?
Last edited by lcyin on Wed Dec 06, 2006 7:57 am, edited 1 time in total.
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admin
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NEB Transition State Calculation
no
Last edited by admin on Thu Dec 07, 2006 6:21 am, edited 1 time in total.