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Re^3: WRONG ECP

Alex Granovsky
gran@classic.chem.msu.su


Dear David,

there are still tab symbols left in the input file.
Attached please find the fixed input with all tabs removed.

Firefly does not correctly understand tab symbols in the input files.
This was changed a month ago, however these latest builds are not yet
available on the Firefly website so one must be careful to not use
tab symbols in the input.

Kind regards,
Alex Granovsky


On Sat Aug 24 '13 3:32pm, David G. wrote
----------------------------------------
>>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

This message contains the 5 kb attachment
[ input_fixed_notabs.inp ]


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