[Pw_forum] How to obtain the deformation potentials

[lfhuang]

Hello everyone:
    I want to obtain the deformation potential for further calculation of transport properties, but in some
complicated cases(e.g. doped systems), gama and lamda seems not enough for me to induce the value
of deformation potentials. Then I have two questions to ask:
    (1) Anyone knows how to extract the deformation potential for certain vibrational mode and certain
         electronic state from the "*.vscf" file?
    (2)Or if I want to use Frozen Phonon approach after knowning vibrational modes, how could I obtain
         the deformation potential from the changes of electronic structure? Does there some formulas
         or REFERENCES? 
I would like to greatly appreciate any kindly hearted person and any help! 
 
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L.F.Huang(黄良锋) lfhuang at theory.issp.ac.cn
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Add: Research Laboratory for Computational Materials Sciences,
Instutue of Solid State Physics,the Chinese Academy of Sciences,
P.O.Box 1129, Hefei 230031, P.R.China
Tel: 86-551-5591464-328(office)
Fax: 86-551-5591434
Web: http://theory.issp.ac.cn (website of our theory group)
http://www.issp.ac.cn (website of our institute)
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