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
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>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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