RE: d pure functions in GAMESS

[Paulo Couto <pauloc \\at// tduarte.pt>]

Greetings All
 To use Spherical Harmonics, i.e. 5d functions, you need
 to include ISPHER=1 in the $CONTRL Section.
 Paulo Couto
 (pcouto \\at// alf1.cii.fc.ul.pt)
 > -----Original Message-----
 > From:	Armando Navarro [SMTP:qoajnv \\at// usc.es]
 > Sent:	Wednesday, March 22, 2000 1:34 PM
 > To:	CHEMISTRY \\at// ccl.net
 > Subject:	CCL:d pure functions in GAMESS
 >
 > Dear All:
 > I have been doing some MP2/6-311+G** calculations with PC-GAMESS,
 > GAMESS used 6 d cartesian functions insted of pure d functions. Is it
 > possible to use the 5 pure d functions in GAMESS?
 >
 > Thanks in Advance
 > Armando Navarro
 > Departamento de quimica Organica
 > Facultade de qumica
 > Universidade de Santiago de Compostela
 >
 > e-mail qoajnv \\at// usc.es
 >
 >
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