Dear Wien2k user, Kindly guide to overcome below error, during super cell of CoNiTi. I want to doped 25% Co with Ni. I set 1x1x4 and replace one atom of Ni out of 4.
Regards warning: !!! Number of inequivalent atoms has changed. !!! Old value= 8 New value= 5 warning: !!! Bravais lattice has changed. sgroup found: 123 (P 4/m m m) -- Dr. G. Murtaza
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