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<p>Hi everyone,</p>
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<p>For some reason, I need access to position matrix elements of Wannier functions, i.e. <0n|r|Rm>. (see also eq.39 in "<span>Ab initio calculation of the anomalous Hall conductivity by Wannier interpolation".</span>)</p>
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<p>I have found a subroutine named get_AA_R in get_oper.F90 in the source code. I have two questions:</p>
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<p>1. Is it correct to just print out the AA_R matrix in get_AA_R subroutine? Are they just <span style="font-family: Calibri, Arial, Helvetica, sans-serif, "Apple Color Emoji", "Segoe UI Emoji", NotoColorEmoji, "Segoe UI Symbol", "Android Emoji", EmojiSymbols; font-size: 16px;"><0n|r|Rm>?</span></p>
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<p>2. There's a comment saying: "</p>
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<div>Since Eq.(44) WYSV06 does not preserve the Hermiticity of the <span style="font-size: 12pt;">Berry potential matrix, take Hermitean part (whether this </span><span style="font-size: 12pt;">makes a difference or not for e.g. the AHC, depends on which </span><span style="font-size: 12pt;">expression
is used to evaluate the Berry curvature. </span><span style="font-size: 12pt;">See comments in berry_wanint.F90)</span></div>
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<p>"<br>
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<p>I don't find a file named <span style="font-family: Calibri, Arial, Helvetica, sans-serif, "Apple Color Emoji", "Segoe UI Emoji", NotoColorEmoji, "Segoe UI Symbol", "Android Emoji", EmojiSymbols; font-size: 16px;">berry_wanint.F90. Can anyone explain this
to me?</span></p>
<p><span style="font-family: Calibri, Arial, Helvetica, sans-serif, "Apple Color Emoji", "Segoe UI Emoji", NotoColorEmoji, "Segoe UI Symbol", "Android Emoji", EmojiSymbols; font-size: 16px;"><br>
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<p><span style="font-family: Calibri, Arial, Helvetica, sans-serif, "Apple Color Emoji", "Segoe UI Emoji", NotoColorEmoji, "Segoe UI Symbol", "Android Emoji", EmojiSymbols; font-size: 16px;">Best!</span></p>
<p><span style="font-family: Calibri, Arial, Helvetica, sans-serif, "Apple Color Emoji", "Segoe UI Emoji", NotoColorEmoji, "Segoe UI Symbol", "Android Emoji", EmojiSymbols; font-size: 16px;"><br>
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<p><span style="font-family: Calibri, Arial, Helvetica, sans-serif, "Apple Color Emoji", "Segoe UI Emoji", NotoColorEmoji, "Segoe UI Symbol", "Android Emoji", EmojiSymbols; font-size: 16px;">Chong Wang</span></p>
<p><span style="font-family: Calibri, Arial, Helvetica, sans-serif, "Apple Color Emoji", "Segoe UI Emoji", NotoColorEmoji, "Segoe UI Symbol", "Android Emoji", EmojiSymbols; font-size: 16px;">Institute for Advanced Study, Tsinghua University, Beijing, 100084</span></p>
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