[Wannier] representing the xsf orbitals with a shift

Fabrizio Cossu cossu at kangwon.ac.kr
Wed Sep 22 04:46:57 CEST 2021


 Dear Wannier90 users I have computed MLWF for a certain cell, projected onto some atoms. These atoms are inside the cell and at the border of the cell (say at (1/2,1/2,0) one and (0,1/2,0) the other). I want to represent the combined orbitals, mainly for illusrative purposes (producing explanatory images), but also to check the overlap along the two directions. However, I get the orbital of one always at the origin. Is there a trick to represent it at its image site (e.g. editing the xsf file or asking VESTA to draw it at its image)? Thank you in advance for your help. Fabrizio Cossu Kangwon National University department of physics Chuncheon-si, Gangwon-do, Republic of Korea
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