Re: [Wien] Question about "open core" treatment

2017-07-08 Thread Peter Blaha
No,this does not make sense. Am 08.07.2017 um 10:55 schrieb Peng Bingrui: Dear professor Blaha I've read the content about "open core" treatment in the "FAQ", which is writen by you. However, I still have a question about this. Can we use "open core" treatment together with LDA/GGA + U

[Wien] Question about "open core" treatment

2017-07-08 Thread Peng Bingrui
Dear professor Blaha I've read the content about "open core" treatment in the "FAQ", which is writen by you. However, I still have a question about this. Can we use "open core" treatment together with LDA/GGA + U method ? If we can, what's the procedure to do this ? Thank you very much for