WT18: How to do SCF calculation using onsite exact-exchange and hybrid functionals for correlated electrons with WIEN2k More on WIEN2k: tiny.cc/w2k #WIEN2k_tutorial #PhysicsSchool20 Website: just.edu.bd/t/... Twitter: / rashid_phd
Пікірлер: 14
@bolphysics462 жыл бұрын
very helpful thanks a lot.
@phy222 жыл бұрын
Glad it helped!
@moulayyoussefraia56003 жыл бұрын
thank you so much
@phy223 жыл бұрын
You're welcome!
@felipeoliveira84403 жыл бұрын
Congratulations on the work and dissemination of knowledge. Can you ask me a question about using MPI?
@phy223 жыл бұрын
I don't use cluster, so do not have any idea about using MPI.
@moulayyoussefraia5600 Жыл бұрын
how we can use B3LYP in this case ?
@ibtihalesalma62753 жыл бұрын
plz can you show me how i can do calcul of anisotropy with wien2k,thanks so much.
@phy223 жыл бұрын
Have no idea!
@domel7873 жыл бұрын
Assalam o Alaikum. Many many thanks sir. God bless you... Sir here is one question... Can we do these calculations without spin polarization??? SAJID KHAN
@phy223 жыл бұрын
WAlaikum-salam. Welcome! This is for spin-polarized calculation. If you want to force a non-magnetic solution you can constrain the spin-polarization to zero using runsp_c_lapw.
@domel7873 жыл бұрын
@@phy22 Thanks a lot sir. Sir your tutorials make wien2k more and more easier... Sir God bless you. SAJID KHAN
@elasundar26913 жыл бұрын
Sir can you please help me?, What kind of information we get from DOS plot and how to write in research paper.? Kindly please
@phy223 жыл бұрын
This will depend on the system and DOS. I'm still learning this!