energy only self-consistency problem
Posted: Mon Mar 13, 2017 9:35 am
Dear Daniele,
I do energy self-consistency, as described here : http://www.attaccalite.com/self-consist ... ambo-code/
However i obtain sometimes this warning
whenever i get this warning, the energy only self consistent gap becomes wrong, and whenever somehow (?) this warning is avoided, the QP gap is Ok.
Any idea what the source of this warning could be ?
I did the self-consistent calculation with yambo_4.2.1.
Best
Luca
I do energy self-consistency, as described here : http://www.attaccalite.com/self-consist ... ambo-code/
However i obtain sometimes this warning
:[WARNING] Fit order on energies [v] reduced to 0
Code: Select all
<03s> P0001: [QP@X] E<SAVE/ndb.QP_0[ XG:1045 Xb:1 400 Scb:1 400]
<03s> P0001: [QP] Kpts covered exactly [o/o]: 100.0000
<04s> P0001: [WARNING] Fit order on energies [v] reduced to 0
<05s> P0001: [04.02] External QP corrections (G)
<05s> P0001: [QP@G] E<SAVE/ndb.QP_0[ XG:1045 Xb:1 400 Scb:1 400]
<05s> P0001: [QP] Kpts covered exactly [o/o]: 100.0000
<05s> P0001: [WARNING] Fit order on energies [v] reduced to 0
Any idea what the source of this warning could be ?
I did the self-consistent calculation with yambo_4.2.1.
Best
Luca