Dear friends, I was trying to run some supercell calculation with a oxygen vacancy in a tetragonal system. I tried two options. 1. Simply remove the oxygen atom. 2. Replace oxygen atom by helium.
I choose F lattice. Now after nn, sgroup and symmetry, when i tried to run lstart, it showed the error, and as i observed that all atoms have gone from struct file.Now only lattice parameters are there in Struct file. I am totally confused with this error, kindly help me out even if i am doing some obvious mistake. Thanking you Mohit Tyagi
