Errors in the band structure interpolation

[Jinsen]

Hi everyone,

I have tried to plot the band structure of graphene with yambo(version 4.01) and ypp, but there are some errors.
First, I run the QE get the scf and nscf files, then "p2y -N". After that, I run "yambo -i -V RL". In order to remove time reverse symmetry, "ypp -n" and got the FixSymm folder. I enter the FixSymm folder and run "yambo -g n -p p -V par -F GW.in". When I got the o.qp, I run "ypp -s b -V qp -F band.in". However, the report file shows some errors. Here attached the input files and report files. Would you please help me figure it out?

Thank you!

Best regards,
Jinsen

[Daniele Varsano]

Dear Jinsen,

as you can see at the end of the r_stderr:

Code: Select all

 [ERROR] Ypp cannot interpolate more than 20 bands. Reduce bands range

I can see from your input you are asking for 10 bands only but I suspect your input is broken and the code get confused: e.g. the %BANDS_range namelist is not closed,
and I also think that it is a deprecated variables substituted by %QPkrange.
I suggest to clean up you input, also eliminating not used variables, something like the input attached and see if it works.


Best,

Daniele

[Jinsen]

Dear Daniele,

It works after use your ypp.in. Thank you so much!

Best regards,
Jinsen