[QE-users] APPLYING ELECTRIC FIELD USING MODERN THEORY OF POLARIZATION

[Musa Hussien]

Dear All
I am trying to apply electric field through Modern theory of polarization
(MTP) within PWCOND (lead and scat region), with Occupations " smearing"
the code doesn't work shows this error :
Error in routine iosys (1):
Berry Phase/electric fields only for insulators!
 When I use Occupations " fixed" the code shows an error says: the charge
is wrong smearing is needed,
Could you please help me to solve this problem?
please have a look at the attached picture

-- 
*Yours Faithfully*


*Musa A. M. Hussien*
*PhD Student at  The University of KwaZulu-Natal*
*Theoretical and Computational Condensed Matter and Materials Physics
Group *
*Postal Address: 46 ridge Rd, Scottsville, Pietermaritzburg, 3201, SA.*
*Tel:+27 737789570*
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