dear wien2k users 
i tryed to do onsit exact exchan i get this error 

uplapw1_error 282uplapwdm_error 240

INILPW -cant open unit 18INILPW     filename : case.vspupINILPW      status : 
old      form: formated
lapw1   -   INILPW aborded unsuccessfully

how can i get solution of this problem ???

    Le dimanche 24 novembre 2019 à 12:50:54 UTC+1, Tran, Fabien 
<> a écrit :  
 #yiv0161139749 #yiv0161139749 -- p 
You forgot -hf option with spaghetti:

x spaghetti -p -hf

Also, make sure that it is the last value of :FER in case.scf that you use in 

From: Wien <> on behalf of Peeyush kumar 
kamlesh <>
Sent: Saturday, November 23, 2019 6:06 PM
Subject: Re: [Wien] Problem in Bandstructure plot Dear Bhamu Sir,I used 
following commands:1. init_lapw -p2. run_lapw -p3. init_hf_lapw -p4. run_lapw 
-p -hf5. Then create case.klist_band as usual6. run_bandplothf_lapw -p -qtl7. 
edit case.insp8. x spaghetti -p9. plot bandstrucureSo, Is there any need to run 
lapw2 and spaghetti again?
Thanks and regards

Peeyush Kumar Kamlesh

On Sat, Nov 23, 2019 at 10:46 AM Peeyush kumar kamlesh 
<> wrote:

Dear Users,Greetings!
Generally when we plot bandstructure in WIEN2k, it shows fermi level (Ef = 0) 
just above the valance band. But when i am plotting it for my compound then 
fermi level is crossing the valance band. Can you please explain the problem 
and suggest a solution?
RegardsPeeyush Kumar Kamlesh

Wien mailing list
Wien mailing list

Reply via email to