[Pw_forum] Orthogonalization of wave function in LDA+U calculations

Akmal Khan khanakmal982 at gmail.com
Tue Nov 7 05:11:26 CET 2017


Dear QE users and experts,
                What will be the effect on different results if the wave
functions are not orthogonalized and how we can achieve orthogonalization
in  LDA+U calculation.


Thank you,
A.Khan
M.phil Research Student
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