I am trying the new double-grid formalism of Haydock in Yambo 5.1.0. I did the usual bse with Haydock on top of GW results as:
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yambo -r -X s -o b -k sex -y h
However when I ran a fine-grid Haydock the fine-grid seems not working and in the output some warnings as:
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[RD./SAVE//ndb.pp]--------------------------------------------------------------
Brillouin Zone Q/K grids (IBZ/BZ) : 81 289 81 289
RL vectors : 31453 [WF]
Coulomb cutoff potential : box z 29.000
Fragmentation : yes
*WRN*Electronic Temperature : 0.000000 [K]
Bosonic Temperature : 0.000000 [K]
PPA diel. fun. energies : Perdew, Burke & Ernzerhof(X)+Perdew, Burke & Ernzerhof(C)
wavefunctions : Perdew, Burke & Ernzerhof(X)+Perdew, Burke & Ernzerhof(C)
Global Gauge : length
X matrix size : 2827
X band range : 1 500
X e/h energy range : -1.000000 -1.000000 [eV]
X Time ordering : R
X xc-Kernel : none
X Drude frequency : 0.000000 0.000000
X poles : 100.0000 [o/o]
RL vectors in the sum : 31453
[r,Vnl] included : no
Field direction : 0.707107E-5 0.707107E-5 0.00000
*WRN*BZ energy Double Grid : no
*WRN*BZ energy DbGd points : 0
BZ Q point size factor : 1.000000
Of course, the result is the same as the course-grid one. Did I miss something in the fine-grid calculations?
Thanks!
Shudong