Error message: dis_spheres_first_wann is larger than num_ban

[hanwooh]

Dear all,

Hello.

I had the following problems, when I tried to run EPW program for lead examples without spin-orbit coupling.

Error: dis_spheres_first_wann is larger than num_bands-num_wann+1
Error: examine the output/error file for details

Altough I know that Samuel already answered similar problems (viewtopic.php?f=3&t=6), I couldn't figure out why same problems occured again.

Currently, I use latest EPW-4.0.0. (downloaded it on April 2nd) and I also checked that wannier90 is complied properly without any errors.

Could anyone help me with this?

Best,

Woohyun Han.

[sponce]

Dear Woohyun Han,

Depending on which version of QE you have, you can either do:

1) In QE/

Code: Select all

make distclean
./configure
make pwall
make ph
make epw

If the version is a bit old, you can do
2) In QE/

Code: Select all

make distclean
./configure
make pwall
make ph

3) In QE/EPW/src/

Code: Select all

make

Could you do that and tell me if you still have the issue?

Best,

Samuel

[asubedi]

Dear Samuel,

I had this same problem. Recompiling cleanly as you suggested solved the problem.

Thanks,
Alaska

[sponce]

Dear Alaska,

Happy to hear that it worked for you.

Best,

Samuel

[hanwooh]

Dear Samuel,

I fixed that problem when I recompiled EPW as you suggested.

Thank you.

Best,

Woohyun Han

[rajubiswas]

Dear sponce,
I am getting error "Error: dis_spheres_first_wann is larger than num_ban" while running "epw1.in".
please help me by solving this problem.

Thanks,
Raju

[Kunsa]

projection block in EPW input is not clear to me! some people uses like s;p other uses f= 0.0 0.5 ...,s etc. how to understand it clearly. Any tutorials related to it?

[mihirsahoo]

Increasing number of bands (nbnd ) in nscf calculation was helpful for me.