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Siddheshwar Chopra
sidhusai@gmail.com

I am getting the initial guess structure using GABEDIT. But when I am running it on FIREFLY, I get this error:

 * ... LESS THAN  3.000

**** THERE ARE ATOMS LESS THAN   0.100 APART, QUITTING... ****

ADDRESS 0x006953C7 HAS INITIATED PROGRAM ABORT BECAUSE OF FATAL ERROR(S)


I am attaching the input file for your reference. Please suggest me what to do. It is very difficult for me to check the 0.100 constraint and do the needful.

Regards,

This message contains the 60 kb attachment [ SAMPLE_1.out ]