some problem in 11.2

[Val]

sir,
 i cant able to group the atoms in GNR using 11.2 version . if i try to copy the GNR structure it cant copy properly.with this i attached the copying error picture.

if i simulated the GNR for band structure calculation in 10.8 version.but when i open(same simulated output) with 11.2 version it cant show the  band structure output.

[Val]

when i calculating the band gap of Graphene on h-BN structure using Bandgap analyser script file i didnt get correct value of bandgap,conduction band minimun & valance band maximum.with this i attached the picture of my band structure,conduction band minimun & valance band maximum of the same.

[Anders Blom]

I'm a bit confused, but I'll try to answer as best I can...

There is a bug in 11.2.b2 which means old band structures from 10.8 cannot be opened. This is fixed in 11.2.r1 which will be available shortly (today, maybe).

As for the copy thing, I don't understand the issue, but generally, the atoms may end up outside the cell, in which case you have to extend the unit cell manually. It might be better to repeat, rather than copy.

Graphene has no band gap, so it will be hard for the script to find one. The script is designed for materials with a real band gap (although h-BN has, so it should work there).