[Wien] multiplicity error in tetra.case while initializing cubic elastic code

Shakeel Khandy shakeelkhandy11 at gmail.com
Mon Apr 6 09:52:33 CEST 2015


I have a problem while calculating elastic constants of cubic pervoskite of
ABO3 kind.While initializing eos and rhomb files, no error occurs.But in
tetra case, it shows multiplicity error .Will you please explain the matter
to sort out the problem.
 The error is given below
WARNING: MULT not equal.
The new multiplicity is different from the old one
     ATOM INDEX:   5  OLD and NEW ATOM KIND:   3   4
 WARNING: ITYP not equal. The new type is different from the old one
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