Dear Arash <br> in our interface code between Wien2k and Wannier90 in calculation of Amn matrix we have a problem.<br>the center of trial wannier function is important in swift of calculation and final result.<br>we don't know how can we exert the position of trial wannier functions centers role in Amn matrix calculation ?<br>
we read "Maximally Localized Wannier Functions within the FLAPW
formalism" paper but it is only for atom center trial function type .<br>How we can change the centers to position except the centers of atom.<br>we think it's possible for compute the other type with linear combination of atom center trial functions . but it's hard to definite the center every where on the bond. <br>
and we want know how exert your code the position of the trial wannier function for calculate the Amn matrix?<br><br><div>Thank you very much in advance.</div>
<div>With kind regards.<br></div>Mohammad.<br clear="all"><br>-- <br>--<br>======================================<br>Mohammad Reza Rasoulian<br>Computational Condensed Matter Research Lab<br>
Physics Department, Isfahan University of Technology, Iran<br> <br>Tel lab: +98 311 391 3731 Fax Office: +98311 391 3746 <br>------------------------------<br>