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        <span>Dear Dr.
        </span></div><div><span><br></span></div><div><span>I'd like to know whether I can set:</span></div><div>MaxAngularMomentum = {</div><div>  B = "s"</div><div>  N = "s"</div><div>  }</div>
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        <span>in dftb_in.hsd for the hBN bilayer system.
        </span></div><div><br></div><div>After doing this, the dftb+ program will not report any error but it just stoped there, with no finish nor any output.</div><div><br></div><div>In fact, I want to just consider the pp\pi orbital of the system and I have moved the corresponding column to the s orbital in the skf files, and set the above <span style="line-height: 22.4px;">MaxAngularMomentum.  How can I deal with this situation? thank you very much!</span></div><div><span style="line-height: 22.4px;"><br></span></div><div><span style="line-height: 22.4px;">sincerely,</span></div><div><span style="line-height: 22.4px;">zhao</span></div>
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                                    <div style="width: 100%;font-size: 14px !important;word-wrap:break-word;word-break:break-all;">xjzhao@csrc.ac.cn</div>
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