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SAMPLE IS NOT GETTING OPTIMIZED AT ALL...
Please find attached a sample file of Boron nanotube. I have failed for the nth time to get it optimized. I want its Hessian too. Please help me in finding out what is wrong with it. In addition I would say that it is really taking long to optimize it. Could you throw some light on how to make it faster?
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[ BNNT23.inp ]
Mon Sep 9 '13 8:09am
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