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
