[Pw_forum] How to choose the suitable lambdas from el-ph output ?
陳 少華
chen_shao_hua197 at yahoo.com.tw
Thu Feb 1 18:57:47 CET 2007
Dear members,
When I calculated the el-ph interaction ,the output
file shows ten different lambda datas from Gaussian
Broadening 0.010 to 0.1 Ry as below :
electron-phonon interaction ...
Gaussian Broadening: 0.010 Ry, ngauss= 1
DOS = 1.571120 states/spin/Ry/Unit Cell at Ef=
8.320255 eV
double delta at Ef = 21.385257
lambda( 1)= 0.051882 gamma= 0.731974 GHz
lambda( 2)= -0.071021 gamma= -1.275961 GHz
lambda( 3)= 1.701719 gamma= 75.615803 GHz
..
..
..
Gaussian Broadening: 0.100 Ry, ngauss= 1
DOS = 2.674519 states/spin/Ry/Unit Cell at Ef=
8.288962 eV
double delta at Ef = 17.639171
lambda( 1)= 0.052070 gamma= 1.250555 GHz
lambda( 2)= 0.181461 gamma= 5.549722 GHz
lambda( 3)= 0.372624 gamma= 28.185890 GHz
My question is how to choose the suitable one of them
?
By now I choose the one which its Ef is the most
neariest from scf calculted Ef.Does it make sense ?
Best Regards
max
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