[ERROR] [Atoms] incomplete mapping found.

[sdwang]

Dear users and developers,
I test the USPP for the Yambo-4.3.0, and I compiled it succesfully. The p2y is OK but when run yambo, it complains:
<03s> P0011: [WARNING] [x,Vnl] slows the Dipoles computation. To neglect it rename the ns.kb_pp file
P0011: [ERROR] STOP signal received while in :[05] Dynamic Dielectric Matrix (PPA)
P0011: [ERROR] [Atoms] incomplete mapping found.

What the error could be?

Thanks in advance.

Dest,


Shudong

[Daniele Varsano]

Dear Shudong,
please note this is an experimental feature and it has been tested mainly for Hartree-Fock calcualtions.
Nevertheless and error should have been issued before arriving to that point.
If you want to share your input and pseudo we will have a look and fix it.

Many thanks,
Daniele

[sdwang]

Dear Daniele,
Thank you for your quick reply.
Attached are the input of QE.

Thanks！

Shudong

[xianzhong]

Dear all,

I want to calculate the quasi-particle band structure of GaN, I also got the same error information.

Dr. Xianzhong Zhou
Guangdong University of Technology
Guangzhou China