Siddheshwar Chopra
sidhusai@gmail.com
Regards,
On Mon Sep 9 '13 8:27pm, Alex Granovsky wrote
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>Dear Siddheshwar,
>use coord=unique. Recent Firefly builds force exetyp=check
>for coord=cart jobs. For those who absolutely need coord=cart
>and know what they do there is also the undocumented way how
>to force coord=cart jobs to run.
>
>Kind regards,
>Alex Granovsky
>
>
>On Mon Sep 9 '13 8:09am, Siddheshwar Chopra wrote
>-------------------------------------------------
>>Dear Sir,
>>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?
>>Regards,