[Wien] Basic question about DOS of onsite-hybrid functional calculation

[Hu, Wenhao]

Hi, Prof. Laurence:

No, I don’t include the SO effect. The orbital potential is applied in lapw1. Basically, I’m using the -eece flag of runs_lapw.  The program flow is as follows:

>   (runeece_lapw) options: -p
Sun Jan 24 14:24:18 CST 2016> (x) lapwdm -up -p -c
Sun Jan 24 14:24:40 CST 2016> (x) sumpara -up -d
Sun Jan 24 14:24:41 CST 2016> (x) lapwdm -dn -p -c
Sun Jan 24 14:25:03 CST 2016> (x) sumpara -dn -d
Sun Jan 24 14:25:03 CST 2016> (x) lapw2 -c -up -p -eece
Sun Jan 24 14:25:29 CST 2016> (x) sumpara -up -eece -d
Sun Jan 24 14:25:31 CST 2016> (x) lapw2 -c -dn -p -eece
Sun Jan 24 14:25:51 CST 2016> (x) sumpara -dn -eece -d
Sun Jan 24 14:25:51 CST 2016> (x) lapw0 -p -eece
Sun Jan 24 14:25:55 CST 2016> (x) orb -up -p
Sun Jan 24 14:25:55 CST 2016> (x) orb -dn -p
Sun Jan 24 14:26:02 CST 2016> (x) mixer -eece -orb
Sun Jan 24 14:26:44 CST 2016> (x) lapw0 -p
Sun Jan 24 14:27:49 CST 2016> (x) lapw1 -up -p -orb -c
Sun Jan 24 14:41:43 CST 2016> (x) lapw1 -dn -p -orb -c
Sun Jan 24 14:58:24 CST 2016> (x) lapw2 -up -p -c
Sun Jan 24 15:00:47 CST 2016> (x) sumpara -up -d
Sun Jan 24 15:00:55 CST 2016> (x) lapw2 -dn -p -c
Sun Jan 24 15:03:20 CST 2016> (x) sumpara -dn -d
Sun Jan 24 15:03:29 CST 2016> (x) lcore -up
Sun Jan 24 15:03:31 CST 2016> (x) lcore -dn

My case.ineece setup is as follows:
-12.0  1       emin natom
32 1 2         iatom nlorb lorb
HYBR          HYBR / EECE mode
1.00          amount of exact exchange
 
where 32 is the index of chromium.

Best,
Wenhao