Wannier90 with VASP (Problem in DOS-calculations)

Question on input files/tags, interpreting output, etc.

Please check whether the answer to your question is given in the VASP online manual or has been discussed in this forum previously!

Moderators: Global Moderator, Moderator

Post Reply
Message
Author
najma_yaqoob
Newbie
Newbie
Posts: 1
Joined: Thu Feb 13, 2020 8:49 am

Wannier90 with VASP (Problem in DOS-calculations)

#1 Post by najma_yaqoob » Wed Sep 29, 2021 12:03 pm

Dear All,


I'm doing density of states (DOS) calculation for Si example (VASP5.4.4+Wannier90v1.2).

I successfully run wannier90.x wannier and got HR.dat file and band structure.

After this, I added these following tags in wannier90.win file and run postw90.x wannier



kmesh = 30 30 30
adpt_smr = .true.
smr_type = 'gauss'
dos = .true.
dos_task = 'dos_plot'



I got the one output file (WT .out) with the error message:

"wt.in files does not exist"

I also attached the link for WannierTools that I'm using.

http://www.wanniertools.com/


Can you please give me some suggestions on this..??
Your suggestions is highly appreciated!


Looking forward to hear you.
Thank you very much in advance.

Best Regards,
Najma Yaqoob

Post Reply