Error in routine read_control_ph (1): wrong elph

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bhawna
Posts: 2
Joined: Thu Mar 07, 2024 1:07 am
Affiliation: University of Warwick

Error in routine read_control_ph (1): wrong elph

Post by bhawna »

Hi, I am trying to run a direct evaluation of electron-phonon matrix elements along the
selected high-symmetry lines using density-functional perturbation theory but I am getting this error:
Error in routine read_control_ph (1): wrong elph
My ephline.in file is :
&inputph
prefix = 'XYZ'
fildvscf = 'dvscf'
ldisp = .true.
recover = .true.
fildyn = 'XYZ.dyn'
tr2_ph = 1.0d-16
qplot = .true.
q_in_band_form = .true.
electron_phonon = 'prt'
kx = 0.5
ky = 0.5
kz = 0.5
/
3
0.5000 0.0000 0.5000 20 # X
0.0000 0.0000 0.0000 20 # Gamma
0.5000 0.5000 0.5000 1 # L
I am using this command:
module load QuantumESPRESSO/7.3
mpirun -n 48 ph.x -npools 48 -i ephline.in > ephline.out
Please let me know what might be the issue.

stiwari
Posts: 40
Joined: Mon Jun 26, 2023 9:48 pm
Affiliation: UT Austin

Re: Error in routine read_control_ph (1): wrong elph

Post by stiwari »

Hi Bhawna,

The problem is with the tag electron_phonon = 'prt'. Please check the Phonon code input page https://www.quantum-espresso.org/Doc/INPUT_PH.html#idm226 for the possible options for electron-phonon tag.

Best regards,
Sabya.

bhawna
Posts: 2
Joined: Thu Mar 07, 2024 1:07 am
Affiliation: University of Warwick

Re: Error in routine read_control_ph (1): wrong elph

Post by bhawna »

Hi,
Thanks for your reply. When I use 'interpolated' tag for electron-phonon. Then, also error is coming at kx = 0.5 stating that error might be in previous line. I want to calculate the matrix elements for initial state set at "L" high symmetry point. Please let me know the proper way to perform this calculation.

Thanks,
Bhawna

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