Dear All
To gain correct GW qp , There is not comprehensive test convergence in the forum. Could any link available that discuss all nedeed parameters and thier orders that should be converged step by step?
Best regards
Ali Kazempour,Isfahan Univ. Of .Tech, Iran
GW convergnce order
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myrta gruning
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Re: GW convergnce order
Dear Ali
a discussion on convergence with parameters of qp within the GWA can be found in the review "Quasiparticle Calculations in Solids " in Solid State Physics
Volume 54, 1999, Pages 1-218 by Aulbur et al., doi:10.1016/S0081-1947(08)60248-9. If you do not have access to the journal there is a link to a preprint in our free lectures page. There you can find other useful references.
To find a relation between the theory and the variables in yambo you may give a look to our online documentation. In fact a qp calculation in yambo consists of 3 runlevels:
1-Calculation of exchange part of the self energy
2-Calculation of the screening (W) within the plasmon pole (usually)
3-Calculation of the correlation part of the self energy
Note however that some of the variables changed name in the present version of yambo (while they appeared with their old one in the documentation).
I hope this helps. My advice is to start "playing" with e.g. Si, that is also the example used by Aulbur.
Best,
m
a discussion on convergence with parameters of qp within the GWA can be found in the review "Quasiparticle Calculations in Solids " in Solid State Physics
Volume 54, 1999, Pages 1-218 by Aulbur et al., doi:10.1016/S0081-1947(08)60248-9. If you do not have access to the journal there is a link to a preprint in our free lectures page. There you can find other useful references.
To find a relation between the theory and the variables in yambo you may give a look to our online documentation. In fact a qp calculation in yambo consists of 3 runlevels:
1-Calculation of exchange part of the self energy
2-Calculation of the screening (W) within the plasmon pole (usually)
3-Calculation of the correlation part of the self energy
Note however that some of the variables changed name in the present version of yambo (while they appeared with their old one in the documentation).
I hope this helps. My advice is to start "playing" with e.g. Si, that is also the example used by Aulbur.
Best,
m
Dr Myrta Grüning
School of Mathematics and Physics
Queen's University Belfast - Northern Ireland
http://www.researcherid.com/rid/B-1515-2009
School of Mathematics and Physics
Queen's University Belfast - Northern Ireland
http://www.researcherid.com/rid/B-1515-2009