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<p class="gmail-p1" style="margin:0px;font-variant-numeric:normal;font-variant-east-asian:normal;font-stretch:normal;line-height:normal"><span class="gmail-s1" style="">Hi all, </span></p><p class="gmail-p1" style="margin:0px;font-variant-numeric:normal;font-variant-east-asian:normal;font-stretch:normal;line-height:normal"><span class="gmail-s1" style=""><br></span></p><p class="gmail-p1" style="margin:0px;font-variant-numeric:normal;font-variant-east-asian:normal;font-stretch:normal;line-height:normal"><span class="gmail-s1" style="">We are interested in the multiple-layered structure (bulk-like materials) containing Ti, C, O.  Is that strange to make such basis-potential combinations? The VDW is included to correct the interlayer spacing.  </span></p><p class="gmail-p1" style="margin:0px;font-variant-numeric:normal;font-variant-east-asian:normal;font-stretch:normal;line-height:normal"><br></p><p class="gmail-p1" style="margin:0px;font-variant-numeric:normal;font-variant-east-asian:normal;font-stretch:normal;line-height:normal">Thanks!~</p><p class="gmail-p1" style="margin:0px;font-variant-numeric:normal;font-variant-east-asian:normal;font-stretch:normal;line-height:normal">Weiwei</p><p class="gmail-p1" style="margin:0px;font-variant-numeric:normal;font-variant-east-asian:normal;font-stretch:normal;line-height:normal"><br></p><p class="gmail-p1" style="margin:0px;font-variant-numeric:normal;font-variant-east-asian:normal;font-stretch:normal;line-height:normal"><br></p><p class="gmail-p1" style="margin:0px;font-variant-numeric:normal;font-variant-east-asian:normal;font-stretch:normal;line-height:normal"><br></p><p class="gmail-p1" style="margin:0px;font-variant-numeric:normal;font-variant-east-asian:normal;font-stretch:normal;line-height:normal"><span class="gmail-s1" style=""><br></span></p><p class="gmail-p1" style="margin:0px;font-variant-numeric:normal;font-variant-east-asian:normal;font-stretch:normal;line-height:normal"><span class="gmail-s1" style="">&KIND C<br>      ELEMENT   C<br>      BASIS_SET DZVP-GTH-PADE<br>      POTENTIAL GTH-PBE<br>    &END KIND<br>        &KIND Ti<br>      ELEMENT   Ti<br>      BASIS_SET DZV-GTH-PADE<br>      POTENTIAL GTH-PBE<br>    &END KIND<br>     &KIND O<br>      ELEMENT   O<br>      BASIS_SET DZVP-GTH-PADE<br>      POTENTIAL GTH-PBE<br>    &END KIND<br></span></p></div>