Hi This error comes mostly due to mistakes while giving BufferAtomsLeft/Right and UsedAtomsLeft/Right Check if you have arranged the z drection atomic coordinates in ascending order
also ensure that if the atomic coordinatess are in this order Bufferatomsleft usedatomsleft centralregion usedatomsright bufferatomsright -- regards deepak 3rd Year Under Graduate Electronics Design and Manufacturing IIIT (D&M),Kancheepuram IIT Madras Campus,Chennai
