Re: [Wien] Seeking info on the spin specification of BFO generated from P1 space group.

2016-04-12 Thread Peter Blaha
Type instgen_lapw -ask at the command line On 04/12/2016 04:09 PM, 213214...@nitt.edu wrote: I currently work on DFT based studies of BFO system in particular for the AFM calculations I have manipulated the BiFeO3(R3c) hexagonal positions and fitted it into P1 space group(30 positions

[Wien] Seeking info on the spin specification of BFO generated from P1 space group.

2016-04-12 Thread 213214018
I currently work on DFT based studies of BFO system in particular for the AFM calculations I have manipulated the BiFeO3(R3c) hexagonal positions and fitted it into P1 space group(30 positions), But while executing instigen_lapw the below notice popped up,