Running Mbj potentail problem in dft wien2k sofware

[Erum asadi]

Main Question or Discussion Point

i am runnig mbj calculation using wien2k as mentioned in user guide but cant be able to successful run,ambiguity in scf's so can any one plz guide me clear steps for mbj calculation. and modifications

 

[Greg Bernhardt]

Thanks for the post! This is an automated courtesy bump. Sorry you aren't generating responses at the moment. Do you have any further information, come to any new conclusions or is it possible to reword the post?