Dear Berna, The run terminated without any error. So there shouldn't be any such error message in the log or output file. Thank you.
Regards, Sunetra Das. On 16-Apr-2017 11:15 AM, "Sunetra Das" <sunetra.das...@gmail.com> wrote: > Dear Zain, > > Thank you for your reply. > I have viewed the unit cell as well as the 4x4x1 supercell in softwares > like Vesta and Xcrysden. Before relaxation it seemed okay, like the > structure I had wanted to draw. > I will check again, though. > I have relaxed the 2 atom unit cell both in atomic positions as well as in > cell dimensions. Used the relaxed coordinates and cell dimensions to form > the supercell. > > There is a parameter MD.MaxCGDispl which uses a default value of 0.2 Bohr. > Should I try playing with that ? > > Thank you. > Regards, > Sunetra Das >
