Re: [Wien] Constrained LDA calculations to find effective U

On Fri, Jun 17, 2016 at 12:07 PM, Peter Blaha wrote: > Checking your description: > > You cannot use the default in1 file (you point 5). > > Modify it as indicated in the instructions on the web. > > On 06/16/2016 02:40 PM, SOHAN LAL wrote: > >> Respected Dr. P. Blaha, >> >> Thank you

Re: [Wien] Constrained LDA calculations to find effective U

Dear all I have got result similar to that of Mr Gavin with the version 14.2 and using the script but I need to know how to change the imput files for another compound (for example : NiS) Best Regards -- Mr: A.Reggad Laboratoire de Génie Physique Université Ibn Khaldoun - Tiaret Algerie