Yambo Community Forum

Dear Developer,

I am getting an error given below in the yambo-4.5.2 version.

[05] Optics
===========

[WF-Rho] Performing Wave-Functions I/O from ./SAVE

[FFT-Rho] Mesh size: 54 54 54

[xc] Functional Perdew, Burke & Ernzerhof(X)+Perdew, Burke & Ernzerhof(C)
[xc] LIBXC used to calculate xc functional

[ERROR] STOP signal received while in :[05] Optics

[ERROR] Fxc not coded for GGA

Does it mean that GGA is not coded in the new version?

I have used C.pbe-hgh.UPF.
I have used the same pseudo potential in an old version for the same purpose

Best,
Joydev De
PhD Student, NISER

Dear Joydev,

Does it mean that GGA is not coded in the new version?

I think GGA tddft kernel has never been present, even if it should not be hard to code.

Best,
Daniele

Dear Daniele,

The GGA kernel is indeed present for both spin polarised and unpolarised systems and can be found in this paper.
Phys. Rev. B 99, 035151 (2019).

Best Regards,
Nisha Singh,
Technical University Delft,
Netherlands

Dear Nisha,
thanks for the reference.

Best,
Daniele