Re: [Wien] Simulation of DOS for a calculation with -hf

Yes. It is written in Sec. 4.5.9 of the user's guide. From: Wien on behalf of shamik chakrabarti Sent: Friday, November 26, 2021 4:14 PM To: A Mailing list for WIEN2k users Subject: [Wien] Simulation of DOS for a calculation with -hf Dear Wien2k users,

[Wien] Simulation of DOS for a calculation with -hf

Dear Wien2k users, I have a converged SCF with full hybridization obtained using the command "runsp_lapw -hf -redklist -ec 0.0001 -cc 0.0001" Now I want to simulate DOS. My query is whether the following steps are correct: (1) x lapw2 -qtl -hf -up/dn (2) x tetra -hf