[molpro-user] proper input for use of pbe0x only

Garold Murdachaew murda at sissa.it
Mon Jan 23 16:55:43 GMT 2006


I am wondering if someone could tell me the proper input for using the 
exchange part only of pbe0 within molpro,
0.75*pbex + 0.25*(exact exchange)?  Guided by the manual I have tried 
variants on, e.g.:

 	exchange,0.25
 	df=[pbex]
 	dftfac=[0.75]
 	ks

but this did not work because apparently the variable dftfac can not be 
set by the user.

Thanks in advance for your advice!

--Garold Murdachaew



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