Dear friends
I want to calculate the lifetime of quasiparticle excitations along special k-path. As yambo works only with uniform-grid in scf input, when I prepare scf input along one k-path, I faced with this message which just Gamma point is selected " X grid is not uniform. Gamma point only". How should I tackle this problem (quasiparticle calculation on non-uniform grid)?
Bests
Ali Kazempour, Physics Dept., PNU university,Yazd, Iran
non-uniform k points
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Daniele Varsano
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Re: non-uniform k points
Dear Ali,
yes, yambo needs uniform k-point grid to calculate GW corrections. Anyway if you want to calculate GW corrections (or lifetimes) on a generic k-point you can take advantage from the ypp utility.
Please have a look at the example reported here:
http://www.yambo-code.org/input_file/ypp/ypp_kk.php
Best,
Daniele
yes, yambo needs uniform k-point grid to calculate GW corrections. Anyway if you want to calculate GW corrections (or lifetimes) on a generic k-point you can take advantage from the ypp utility.
Please have a look at the example reported here:
http://www.yambo-code.org/input_file/ypp/ypp_kk.php
Best,
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/