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[ERROR] [Atoms] incomplete mapping found.

Posted: Mon Oct 29, 2018 4:07 pm
by 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

Re: [ERROR] [Atoms] incomplete mapping found.

Posted: Mon Oct 29, 2018 4:17 pm
by 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

Re: [ERROR] [Atoms] incomplete mapping found.

Posted: Mon Oct 29, 2018 4:36 pm
by sdwang
Dear Daniele,
Thank you for your quick reply.
Attached are the input of QE.

Thanks!

Shudong

Re: [ERROR] [Atoms] incomplete mapping found.

Posted: Sat Jan 05, 2019 1:06 pm
by 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