[Pw_forum] calculation for antiferromagnetic MnO

2010-07-30 Thread mohnish pandey
Dear users, I want to do calculation for MnO antiferromagnetic system. I want to know how to start the calculation for this antiferromagnetic system, i.e. should the magnetization be conserved to be in antiferromagnetic state? And how to build the cell for this rocksalt structure

[Pw_forum] calculation for antiferromagnetic MnO

2010-07-30 Thread Matteo Cococcioni
Dear Mohnish I would recommend you to figure this out yourself first. Then, if you want to verify your results you can go on quantum-espresso.organd look for the tutorials for the school held in Santa Barbara in 2009. you will find an example about NiO (and maybe FeO, I don't remember) that are ma

[Pw_forum] calculation for antiferromagnetic MnO

2010-07-30 Thread mohnish pandey
Thank you so much Prof. Matteo, in fact I also wanted to do that myself but I was not able to get the starting point but know I believe I can do that... On Fri, Jul 30, 2010 at 1:59 PM, Matteo Cococcioni wrote: > Dear Mohnish > > I would recommend you to figure this out yourself first. > Then, i