Re: [Wien] Non-magnetic calculations

Thank you Prof Marks I updated my concept now. regards Bhamu On 27-Feb-2016 6:49 pm, "Laurence Marks" wrote: > Sorry, but the other email response was not right. > > run_lapw uses just the full density, no spin. Probably what you want to > use. > > runsp_c_lapw has the

Re: [Wien] Non-magnetic calculations

Sorry, but the other email response was not right. run_lapw uses just the full density, no spin. Probably what you want to use. runsp_c_lapw has the same density in the up/dn spins. It can be used to include terms such as orbital corrections with a non-magnetic density (as up=dn). runsp_lapw is

Re: [Wien] Non-magnetic calculations

Hello Komal run_lapw represents simple scf calculation which does not include any magnetic/SO/SP effect while runsp_c_lapw should be invoked if you are using spin polarised complex calculation. Regards Bhamu On 27-Feb-2016 4:46 pm, "Dr. Komal Bapna" wrote: > Dear Wien

[Wien] Non-magnetic calculations

Dear Wien users I want to get the non-magnetic ground state of a system. I am not able to find if there is any difference between run_lapw and runsp_c_lapw commands. Which command I should use. Regards ___ Wien mailing list