ABINIT Discussion Forums

Hello everybody
I am trying to do DFT calculations to a quaternary zinc blend compound using abinit, I have gave 4 atoms to the input file, one atom of each kind with coordinates
xangst
0.0 0.0 0.0
0.00000 2.82685 2.82685
2.82685 2.82685 0.00000
1.41342 1.41342 1.41342
but I am getting wrong result!
can you please help me and see if the coordinates are correct or wrong?
best regards

Nawzad A. Abdulkareem
University of Zakho, Iraq
Email: nawzad.abdulkareem@uoz.edu.krd

Dear Nawzad,
If the structure you want is the regular ZnS one then it should contains 8 atoms, right?
You should also give the acell, angdeg/rprim, znucl, typat, ntypat that define the structure if you want we detect a problem in the structure construction.
Best wishes,
Eric