Wannier90 with VASP (Problem in DOS-calculations)
Posted: 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
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