algebra driver error

Questions and doubts about features of non linear optic in Yambo (yamb_nl)

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sohan
Posts: 27
Joined: Thu Nov 14, 2024 1:10 pm

algebra driver error

Post by sohan » Thu Nov 21, 2024 2:59 pm

Dear all,
i was doing shg calculation for MoS2 monolayer , same as in the tutorial of hBN shg calculation tutorial , i'm getting this following error during polarization step *[ERROR] STOP signal received while in[04] Dipoles
[ERROR] LINEAR ALGEBRA driver [GETRF (SI)]WS%v_cmplxspace failed*
I'm new to yambo please guide me through it . i have attached DFT inputs and YAMBO input.
Thanking you
Sohan
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Sohan
M.Sc. (Physics)
Central University of Punjab, India

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claudio
Posts: 526
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Re: algebra driver error

Post by claudio » Sat Nov 23, 2024 6:22 pm

Dear Sohan

I don´t know why you get this error, may you put in the forum also
the Yambo input file, and the report r_setup and r_nonlinear
so we can understand where is the problem

best
Claudio
Claudio Attaccalite
[CNRS/ Aix-Marseille Université/ CINaM laborarory / TSN department
Campus de Luminy – Case 913
13288 MARSEILLE Cedex 09
web site: http://www.attaccalite.com

sohan
Posts: 27
Joined: Thu Nov 14, 2024 1:10 pm

Re: algebra driver error

Post by sohan » Wed Jan 15, 2025 10:01 am

sir,
these are the files u requested , please kindly look into it suggest where did i go wrong .
best regards,
Sohan
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Sohan
M.Sc. (Physics)
Central University of Punjab, India

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claudio
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Re: algebra driver error

Post by claudio » Thu Jan 16, 2025 8:42 pm

Dear Sohan

there is problem between your input and your system.

You want to use bands between 3 and 6, but when I read the setup file
I see that you are simulation MoS2 with 13 filled band, and this make the system crach.

I think you are using Yambo input for hBN for MoS2, you have to change number of bands
incluse some valence and some conduction.

best
Claudio
Claudio Attaccalite
[CNRS/ Aix-Marseille Université/ CINaM laborarory / TSN department
Campus de Luminy – Case 913
13288 MARSEILLE Cedex 09
web site: http://www.attaccalite.com

sohan
Posts: 27
Joined: Thu Nov 14, 2024 1:10 pm

Re: algebra driver error

Post by sohan » Fri Jan 17, 2025 9:50 am

Dear sir,
Thank you for the prompt reply, i'll let u know if the error still persists after varying the NLbands.
best
Sohan
Sohan
M.Sc. (Physics)
Central University of Punjab, India

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