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<span class="x_elementToProof" style="font-size:12pt;margin:0px;background-color:rgb(255, 255, 255)">Dear Wien2k community</span>
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It seems there is a bug in dipan.f.</div>
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In line 341, dipole anisotropy energy is defined as</div>
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<span style="margin:0px"> </span><span style="margin:0px">dipa=-10.**7*(coef_an/(2.*volume))*tmom(jat)*dipf(i)</span></div>
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However, "coef_an" is given as 3.129232 (line 78) that is already</div>
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counted (1/2) factor for the double summation.</div>
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Therefore, I think, dipole anisotropy energy (line 341) should be</div>
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<span style="margin:0px;background-color:rgb(255, 255, 255);display:inline !important">dipa=-10.**7*(coef_an/(volume))*tmom(jat)*dipf(i)</span></div>
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without factor 2 in the denominator.</div>
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Best,</div>
<span class="x_elementToProof" style="font-size:12pt;margin:0px;background-color:rgb(255, 255, 255)">Yongbin</span><br>
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