] ROTODEF error
Dear All
I am using WIEN2K version 9. I want to do some electronic mechanical
calculations of ZnO (zinc blend phase) wit some other metallic defects using 4
Zinc atoms 2 O atoms and 2 S atoms. In this process I use P as lattice type and
take Zn at 0.0 0.0 0.0?? 0.5 0.5 0.0
Dear All
I am using WIEN2K version 9. I want to do some electronic mechanical
calculations of ZnO (zinc blend phase) wit some other metallic defects using 4
Zinc atoms 2 O atoms and 2 S atoms. In this process I use P as lattice type and
take Zn at 0.0 0.0 0.0?? 0.5 0.5 0.0? 0.5 0.0
You should accept the changes which sgroup proposes, either by giving
the appropriate answer during initialization, or by manually copying
case.struct_sgroup to case.struct before initialization. sgroup detects
symmetry in your unit cell, and constructs the appropriate structure
file
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