error on running mgb2 example

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Sumit
Posts: 5
Joined: Fri Jul 01, 2022 5:50 am
Affiliation: IIT JOdhpur

error on running mgb2 example

Post by Sumit »

Dear EPW developers,

I just started using EPW with qe 7.0 to compute electron-phonon coupling and hence scattering for 2D materials. For learning, I started with the given mgb2 example in the EPW package.
After computing phonon and preparing SAVE folder I ran scf and nscf on epw folder. Then on executing epw.x I am getting an error;

Parallel version (MPI), running on 8 processors
MPI processes distributed on 1 nodes
K-points division: npool = 8
85678 MiB available memory on the printing compute node when the environment starts

Waiting for input...
Reading input from standard input


%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine epw_readin (1):
Bad line in namelist &inputepw': " kmaps = .false." (error could be in the previous line)

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%


Even I haven't changed the epw.in the file given in the example folder of mgb2.

Kindly suggest me.

Thank You

Regards
Sumit Kukreti
Ph.D. Scholar
Indian Institute of Technology Jodhpur
INDIA

hlee
Posts: 415
Joined: Thu Aug 03, 2017 12:24 pm
Affiliation: The University of Texas at Austin

Re: error on running mgb2 example

Post by hlee »

Dear Sumit Kukreti:

Starting from EPW v5.4, the input keyword of kmaps is removed: https://docs.epw-code.org/doc/Releases.html#epw-v5-4
So you need to remove kmaps in your epw.in .

PS) I confirmed this change was already made in the mgb2 example folder (EPW/examples/mgb2/epw) starting from QE v6.8 including EPW v5.4 .

Sincerely,

H. Lee

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