[Wien] 2nd question about: One further modification for lattices that have inversion symmetry???

fatemeh.mirjani f_mirjani at ph.iut.ac.ir
Fri May 9 13:11:08 CEST 2008


Dear users:

Regarding to my previous question I have another question about "One further modification for lattices that have inversion symmetry" that I couldn't find it's answer.
I know that the coefficients of fictitious plane waves are printed in case.output1 . But I want to know for each Psi(n,k) inside the sphere I should calculate several psi that are related to reciprocal lattice vector? My mean is that I should calculate psi(n,k,G) inside the sphere for each G? {G:reciprocal lattice vector}
psi_lo=(A_lm*u+B_lm*u_dot)exp(i(k+G).r)* c_fictitiousPW  ---->  Is this true?


I'm anxiously looking forward your reply and guidelines.

-- 
Best Regards
Fatemeh Mirjani
Computational Condensed Matter Research Lab.
Affiliated ICTP Center,
Physics Department, Isfahan University of Technology, Iran
Email: f_mirjani at ph.iut.ac.ir 
Tel/Fax Office: +98311-3913746
Tel Lab.: +98311-3913731
Mobile: +98913-2111369



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