PC GAMESS-related discussion club


Re^2: principal axis/ extended basis function

Allan Abraham
allanbpadama@yahoo.com.ph


On Sat Feb 23 '08, Pedro Silva wrote
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>>Please provide your input, otherwise it is very difficult to guess what might be going on..

>On Sat Feb 23 '08, Allan Abraham wrote
>--------------------------------------
>>hi.. i am running a program on the adhesion of a metal atom to a certain polymer. unfortunately, the output stated that an illegal performance occured and requires extended basis function. besides there is a problem on the order of principal axis.. how could i fix this? thank you so much for any help regarding this matter...

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