Re: [Wien] flip magnetic moment

Thanks. On Tue, May 17, 2016 at 12:17 AM, Peter Blaha wrote: > Yes, this is one way of trying it. It may not always work, as the moments > may change back (either because of the interstitial, which you cannot flip > by this), or because it does not want to be in

Re: [Wien] flip magnetic moment

Yes, this is one way of trying it. It may not always work, as the moments may change back (either because of the interstitial, which you cannot flip by this), or because it does not want to be in this state. You can also try directly in case.inst to select a configuration and hope it survives