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(???) 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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