[molpro-user] WF card does not work
WilsonNT at Cardiff.ac.uk
Wed May 11 07:51:58 BST 2005
The WF card is in the wrong place. It should be after the procedure.
Ding Xunlei wrote:
> I find that WF card does not work at all in my test, and in the *.out file, there is always a sentence "ILLEGAL COMMAND WF".
> The input file is as below. The same result will be obtain if change the WF card into
> O2,O1,R }
> R=1.3 ang
> How can I solve this problem.
> And my molpro version is:
> *** PROGRAM SYSTEM MOLPRO ***
> Copyright, University College Cardiff Consultants Limited, 2004
> Version 2002.6 linked 31 Mar 2003 01:16:45
> Thank you for your help!
> Ding Xunlei
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