Hi Priyanka,
If you provide your input/output file then it would be easy to figure out
the problem exactly. This time I can only guess based on my experience
using xcrysden. In each bfgs step you get lattice parameters and atomic
position written in the output of vc-relax, I think you are missing
Hello all,
I am doing the calculation for making a slab of MnFe2O4 but the output file
is not opening in xcrysden after vc relax. It is giving the following error
as shown below. kindly help in getting the solution.
Your reply will be grateful.
Operating system : Linux
[p20170414@kosambi ~]$
