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<div class="">Dear Akmal,</div>
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<div class="">the orthogonalization of the atomic wave functions is controlled from input through the parameter U_projection_type. put it equal to “ortho-atomic” if you want them orthogonalized.</div>
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<div class="">Best,</div>
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<div class="">Matteo</div>
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<div class="">On Nov 7, 2017, at 5:11 AM, Akmal Khan <<a href="mailto:khanakmal982@gmail.com" class="">khanakmal982@gmail.com</a>> wrote:</div>
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<div class="">Dear QE users and experts,<br class="">
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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.<br class="">
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Thank you,<br class="">
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A.Khan<br class="">
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M.phil Research Student</div>
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<div class="">Matteo Cococcioni</div>
<div class="">Theory and Simulation of Materials</div>
<div class="">École Polytechnique Fédérale de Lausanne</div>
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