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Re: THERE ARE ATOMS LESS THAN 0.100 APART

Alex Granovsky
gran@classic.chem.msu.su


Dear Masoud,

the problem with this input file is that it contains tabulation symbols.
Firefly does not properly recognize tabulations. You need
to replace them by spaces (I have just changed the code so
it now recognizes tabs as well so this problem will go away
in the next update).

Hope this helps.

All the best,
Alex


On Thu Jul 18 '13 4:14pm, Masoud Nahali wrote
---------------------------------------------
>Hello

>I have checked the following input file several times and it doesn't seem to be some atoms less than 0.1 apart ! also I have tried the COORD=UNIQUE as it was proposed by someone in this forum but it didn't work too. I appreciate any comment on this issue in advance.

>the error is:
>
>
> **** THERE ARE ATOMS LESS THAN   0.100 APART, QUITTING... ****

> ADDRESS 0x00695487 HAS INITIATED PROGRAM ABORT BECAUSE OF FATAL ERROR(S)

>ps:
>attached you can see the input file.
>
>
>Sincerely Yours
>Masoud
>SUT, ICTP


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