[Wien] [Wien2k Users] Supercell Construction of UZr2

[Ghosh SUDDHASATTWA]

Dear Stefaan, 
There was indeed an error on the spaces I unknowingly ignored while changing
the supercell struct file. 
However, when I copied the supercell file into case.struct file and
initialized nn , the following error came 
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: Mult 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
NN created a new case.struct_nn file. 
Then it asked if we have to choose a new struct file, I chose no. 
When I clicked on view outputsgroup 
The following message came
Warning!!! Number of inequivalent atoms has changed 
Old value=16 
New value=3 
Bravais lattice has changed 
Sgroup found: 51 (Pmma) 
It again asked if we want to use struct file generated by sgroup
I chose yes 

I would like to know if I did it correctly. 

However, I have this doubt again that the actual space group reported is
191_P6/mmm and not 51_Pmma
Then how do we justify that our initialization is correct. 

Any suggestions 

Suddhasattwa Ghosh