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pcm solvnt with water
Mahesh Bhatt
mbhatt54@yahoo.com
Hi all,
I want to calculate aqueous solution of ethylene carbonate and Li-ethylene carbonate complexes using water as solvent, but after optimization, when I tried to calculate HESSIAN, immediately I got the following message:
**** ERROR **** PCM SPHERE(S) MUST HAVE A POSITIVE RADIUS
I dont know how to set the radius of H2O in input file. Please give me hint earlier.
Regards
Mahesh Bhatt
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Mon Nov 15 '10 12:24pm
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