No phonon dispersion is created in tutorial "eph_legacy"

Running Abinit Response calculations
1

Hi,

I am trying to reproduce the tutorial eph_legacy, but I don’t get any phonon dispersion.
When I run the anaddb on input file teph_legacy_4.abi it throws an error saying ddb_filepath variable must be specified in the input file and similarly for gkk and ddk filepath. Then I added those file path in the input file and it runs the calculation, but no phonon dispersion. The ddk pathfile includes teph_legacy_1o_DS10_GKK4, teph_legacy_1o_DS10_GKK5
and teph_legacy_1o_DS10_GKK6

I am attaching the input file (original and modified) and the output file. Please let me know the issue with the calculation.

Best,
Rajesh
teph_legacy_4-after.abi (1.1 KB)
trf2_4.abo (8.9 KB)
teph_legacy_4-before.abi (860 Bytes)

2

Hi Rajesh,

Please have a look at eivec variable to generate an output ready-to-plot for the phonon bands (a la gnuplot or xmgrace).
Otherwise I recommend using abiview.py ddb yourddfile for a quick inspection of the phonon dispersion, if you have already set up abipy.

Good luck,
Bogdan

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3

Hi Bogdan,

I have tried with eivec 4, but did not work. I tried with this changing nph1l to nph1l and then it worked. Not sure why did work!

nph2l 1
qph2l 1.00000000E+00 0.00000000E+00 0.00000000E+00 0

Best,
Rajesh

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