[Wien] Error in AFM double cell calculation

Shakeel Khandy shakeelkhandy11 at gmail.com
Wed Nov 4 06:59:06 CET 2015


Dear Users'
I  have constructed a double cell from Cubic ABO3 type structure with
Pm-3m spacegrup, whose space group changes to P and  come across the
following error while initialising the double cell AFM calculation.

 WARNING: Mult not equal. PLEASE CHECK
outputnn-file

 WARNING: Mult not equal. PLEASE CHECK
outputnn-file

 WARNING: ityp not equal. PLEASE CHECK
outputnn-file

 WARNING: Mult not equal. PLEASE CHECK
outputnn-file

 WARNING: ityp not equal. PLEASE CHECK
outputnn-file

 WARNING: Mult not equal. PLEASE CHECK
outputnn-file

 WARNING: ityp not equal. PLEASE CHECK
outputnn-file

 WARNING: Mult not equal. PLEASE CHECK
outputnn-file

 WARNING: ityp not equal. PLEASE CHECK
outputnn-file

 WARNING: ityp not equal. PLEASE CHECK
outputnn-file

 WARNING: ityp not equal. PLEASE CHECK
outputnn-file

 WARNING: Mult not equal. PLEASE CHECK
outputnn-file

 WARNING: ityp not equal. PLEASE CHECK
outputnn-file

 WARNING: ityp not equal. PLEASE CHECK
outputnn-file

 WARNING: ityp not equal. PLEASE CHECK
outputnn-file

When i accepted the new structure, it again shows dstart error

  NN created a new test.struct_nn file

STOP NN created a new CASE.STRUCT_NN FILE

0.0u 0.0s 0:00.01 100.0% 0+0k 0+72io 0pf+0w

STOP ROTDEF - Error
0.0u 0.0s 0:00.00 0.0% 0+0k 0+16io 0pf

Any suggessions please
Shakeel
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