Error in optimizing cromium based MOF using TPSS functional

Reshma Jose reshma... at
Wed Aug 1 09:02:51 CEST 2018


Hello All,

I am trying to optimize a chromium based MOF structure using TPSS 
functional. The program is terminating without completing any iteration.  
It is showing segmentation fault. How can I solve this problem?

I have used the below given section

         SCALE_C 0.300000000E+00
         SCALE_X 0.700000000E+00 
        &END TPSS

The program got terminated without any error printed in outfile.

I am attaching the error.log file generated.

Kindly help me in this regard,

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