Firefly and PC GAMESS-related discussion club


 
Learn how to ask questions correctly  
 
 
We are NATO-free zone
 



THERE ARE ATOMS LESS THAN 0.100 APART

Masoud Nahali
masoudnahali@gmail.com


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

This message contains the 11 kb attachment
[ TiO2-Au-a.inp ]


[ Previous ] [ Next ] [ Index ]           Thu Jul 18 '13 4:14pm
[ Reply ] [ Edit ] [ Delete ]           This message read 832 times