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Re^4: *** ERROR, ILLEGAL POINT GROUP=D6H CHOSEN. In Coronene molecule

Siddheshwar Chopra
sidhusai@gmail.com

Dear Pavel,
Yes absolutely I am reading the manual provided by you.It has helped me a lot, but I somehow skipped this intricate detail.
I made the changes as advised by you and it worked.
I am really thankful to Alex sir and you sir.

Regards,

On Thu Dec 20 '12 8:40am, Solntsev Pasha wrote
----------------------------------------------
>Dear Siddheshwar.

>As i said earlier, I strongly recommend you to check documentation first. Did you check http://classic.chem.msu.su/gran/gamess/Firefly_input_rev002.pdfhttp://classic.chem.msu.su/gran/gamess/Firefly_input_rev002.pdf

>You have wrong syntax for $DATA block. It should be blank line after point group as Alex mentioned. But this line is not present in your output file. For C1 point group, you don't need that line.

>Good luck,

>Pavel.
>
>
>On Thu Dec 20 '12 6:22am, Siddheshwar Chopra wrote
>--------------------------------------------------
>>Dear Sir,
>>     As suggested by you I have tried to make the changes and run the input again. But unfortunately I get some error :Unable to read ..... Please find the Coronene.out file for your reference. However when I performed the same calculations with "C1"  , it finishes the job well.

>>On Wed Dec 19 '12 12:22pm, Alex Granovsky wrote
>>-----------------------------------------------
>>>Hi,

>>>the correct syntax is:

>>>

 $DATA                                                                          
 Coronene                                                                        
 Dnh  6

 C 6.0     -1.5701000000   -3.4411000000   -0.0001000000                    
etc...

>>>Kind regards,
>>>Alex Granovsky

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