[molpro-user] WF card does not work

[Nick Wilson]

Dear Ding,

The WF card is in the wrong place. It should be after the procedure.
basis={...}
{hf;WF,16,1,0}
...

Best wishes
Nick Wilson

Ding Xunlei wrote:
> Dear：
> 
> 　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
> WF,16,1,0
> 
> 
> ***,O2
> WF,16,1,2
> geometry={O1;
>           O2,O1,R }
> R=1.3 ang
> basis={
> spd,o,6-311+G(3df);c;
> }
> dftname=b3lyp
> optdft
> ---
> 
> 
> 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
> 2005-05-11
> ______________________________________________
> 
>