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Re^2: WRONG ECP

David G.
david.grifith@gmail.com


Dear Alex

many thanks for your comment.

I have revised the file particularly where the ECP group is located. But unfortunately still I get the error. Attached you can see the revised files. Best Wishes, D.
 

On Sat Aug 24 '13 1:14pm, Alex Granovsky wrote
----------------------------------------------
>Hi,

>try to replace tabs by spaces in the input file.

>Kind regards,
>Alex Granovsky
>
>
>On Sat Aug 24 '13 11:58am, David G. wrote
>-----------------------------------------
>>>Hi

>>I have followed the instruction to make $ECP group but still I get the following error.

>> WRONG ECP LIST IN $ECP GROUP!
>> $ECP GROUP SHOULD DEFINE THE VALID ECP PARAMETERS FOR ALL ATOMS.

>>Attached please find my input file which includes the LANL2DZ ECP.

>>Sincerely, David

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