Firefly and PC GAMESS-related discussion club
Learn how to ask questions correctly
pcm solvnt with water
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.
Mon Nov 15 '10 12:24pm
This message read 1579 times