Masoud Nahali
masoudnahali@gmail.com
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 ] |
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