I have edited the crystal structure of V2O5 and changed the lattice parameters to match that with my experimentally calculated values. Once I submit the new structure and check the dashboard, there is an error saying server timed out.
I have my lattice parameters a = 3.535, c = 11.535. The lattice parameter b changes form 4.385 to 4.435 while I heat my sample. I wanted to calculate how the band gap varies accordingly.
Any help regarding this issue will be much appreciated