[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



___________________________________________________ 
 您的生活即時通 - 溝通、娛樂、生活、工作一次搞定! 
 http://messenger.yahoo.com.tw/



More information about the users mailing list