Re: [Wien] DOS with GGA+U and SO

Hi Lukasz, After the scf cycle, do the following x lapw2 -up -p -c -so -qtl x lapw2 -dn -p -c -so -qtl prepare your case.int file according to the case.qtlup / case.qtldn files generated at the steps above. Then: x tetra -up x tetra -dn dosplot -up dosplot -dn Best Regards, Jose On

Re: [Wien] DOS with GGA+U and SO

Hi Lukasz, Sorry, I did'nt care you want to use the qtl program. In this case do, after the scf cycle: x qtl -up -p -so x tetra -up dosplot -up Regards Jose On 30-07-2013 08:14, Jose Mestnik Filho wrote: Hi Lukasz, After the scf cycle, do the following x lapw2 -up -p -c -so -qtl x lapw2

Re: [Wien] DOS with GGA+U and SO

what I did. And this produces different position of the f-levels in DOS and in Band-structure for the bulk Gd. Regards, Lukasz On 7/30/2013 1:59 PM, Jose Mestnik Filho wrote: Hi Lukasz, Sorry, I did'nt care you want to use the qtl program. In this case do, after the scf cycle: x

Re: [Wien] DOS with GGA+U and SO

emails, but this does not solve my problem. If you look at one of my previous emails you could see, that this is exactly what I did. And this produces different position of the f-levels in DOS and in Band-structure for the bulk Gd. Regards, Lukasz On 7/30/2013 1:59 PM, Jose Mestnik Filho wrote