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Re^4: Different bases for specific atoms

tanggo81
tanggo81@yahoo.com


Dear Sanya and Fabian,

Thank you very much for your kind response. Actually I did put a blank line right after the basis set but it seems that the presence of blank lines is not acceptable in the data input as there was an error generated in the output file, as read in the following:

*** ERROR!
BLANK CARD FOUND WHILE TRYING TO READ INPUT ATOM   13
POSSIBLE ERRORS INCLUDE:
1. C1 GROUP SHOULD NOT HAVE A BLANK CARD AFTER IT.
2. BOTH $BASIS GROUP AND BASIS SET IN $DATA GIVEN?
3. EXTRANEOUS BLANK CARDS IN $DATA?

While I am not quite understood about the second point, I have a check on the possibility of the first error in my input file but it seemed to me that the presence of blank lines is the reason for the error. I herein attached my input file for your kind review. Any comment or suggestion is most welcome. Thank you very much in advance.

Best, Tanggo

On Fri Dec 10 '10 5:18pm, sanya wrote
-------------------------------------
>Dear Tanggo,

>In the test example given by Fabian, there were blank lines between the basis set and next atom. They were missing in your file; hence, the lines defining the basis set were misinterpreted by Firefly as atoms. Always leave blank lines after the basis set. Did you generate your input file with Gabedit? Probably, you have to check your input files manually.

This message contains the 2 kb attachment
[ HU_FF_check.inp ] Input File


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