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    <div class="moz-cite-prefix">On 23/12/2015 11:53, Ridwan Agbaoye
      wrote:<br>
    </div>
    <blockquote
cite="mid:1610648291.2191599.1450868014652.JavaMail.yahoo@mail.yahoo.com"
      type="cite">
      <div style="color:#000; background-color:#fff;
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            <div
              style="color:#000;background-color:#fff;font-family:HelveticaNeue,
              Helvetica Neue, Helvetica, Arial, Lucida Grande,
              sans-serif;font-size:16px;"
              id="yui_3_16_0_1_1450866594342_3867">
              <div class="yiv9628606616qtdSeparateBR"
                id="yui_3_16_0_1_1450866594342_3866"><br clear="none">
                Does this answers work for all systems be it FCC or
                monoclinic or Hexagonal</div>
            </div>
          </div>
        </div>
      </div>
    </blockquote>
    which part of the answer ?  the first part about definition of alat
    yes.<br>
    <blockquote
cite="mid:1610648291.2191599.1450868014652.JavaMail.yahoo@mail.yahoo.com"
      type="cite">
      <div style="color:#000; background-color:#fff;
        font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial,
        Lucida Grande, sans-serif;font-size:16px">
        <div id="yiv9628606616">
          <div id="yui_3_16_0_1_1450866594342_3868">
            <div
              style="color:#000;background-color:#fff;font-family:HelveticaNeue,
              Helvetica Neue, Helvetica, Arial, Lucida Grande,
              sans-serif;font-size:16px;"
              id="yui_3_16_0_1_1450866594342_3867">
              <div class="yiv9628606616qtdSeparateBR"
                id="yui_3_16_0_1_1450866594342_3866"><br
                  id="yui_3_16_0_1_1450866594342_6746">
              </div>
              <div class="yiv9628606616qtdSeparateBR"
                id="yui_3_16_0_1_1450866594342_3866" dir="ltr"><span
                  style="font-family: 'Helvetica Neue', 'Segoe UI',
                  Helvetica, Arial, 'Lucida Grande', sans-serif;
                  font-size: 13px;" id="yui_3_16_0_1_1450866594342_6748"
                  class="">"final_alat = input_alat * 0.487685488 / 0.5
                  = 10,345371472 bohr " where does 0.5 come from </span><br
                  style="font-family: 'Helvetica Neue', 'Segoe UI',
                  Helvetica, Arial, 'Lucida Grande', sans-serif;
                  font-size: 13px;" id="yui_3_16_0_1_1450866594342_6750"
                  class="" clear="none">
              </div>
              <div class="yiv9628606616qtdSeparateBR"
                id="yui_3_16_0_1_1450866594342_3866" dir="ltr"><span
                  style="font-family: 'Helvetica Neue', 'Segoe UI',
                  Helvetica, Arial, 'Lucida Grande', sans-serif;
                  font-size: 13px;" class=""><br>
                </span></div>
            </div>
          </div>
        </div>
      </div>
    </blockquote>
    from the comparison of your final cell and the common definition of
    fcc Bravais lattice.<br>
    <br>
    <blockquote
cite="mid:1610648291.2191599.1450868014652.JavaMail.yahoo@mail.yahoo.com"
      type="cite">
      <div style="color:#000; background-color:#fff;
        font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial,
        Lucida Grande, sans-serif;font-size:16px">
        <div id="yiv9628606616">
          <div id="yui_3_16_0_1_1450866594342_3868">
            <div
              style="color:#000;background-color:#fff;font-family:HelveticaNeue,
              Helvetica Neue, Helvetica, Arial, Lucida Grande,
              sans-serif;font-size:16px;"
              id="yui_3_16_0_1_1450866594342_3867">
              <div class="yiv9628606616qtdSeparateBR"
                id="yui_3_16_0_1_1450866594342_3866" dir="ltr"><span
                  style="font-family: 'Helvetica Neue', 'Segoe UI',
                  Helvetica, Arial, 'Lucida Grande', sans-serif;
                  font-size: 13px;" class=""
                  id="yui_3_16_0_1_1450866594342_6786">If i am working
                  on a monoclinic or Hexagonal crystal structure do i
                  still use the 0.5 or how do i calculate the 0.5</span></div>
              <div class="yiv9628606616qtdSeparateBR"
                id="yui_3_16_0_1_1450866594342_3866" dir="ltr"><span
                  style="font-family: 'Helvetica Neue', 'Segoe UI',
                  Helvetica, Arial, 'Lucida Grande', sans-serif;
                  font-size: 13px;" class=""><br>
                </span></div>
              <div class="yiv9628606616qtdSeparateBR"
                id="yui_3_16_0_1_1450866594342_3866" dir="ltr"><span
                  style="font-family: 'Helvetica Neue', 'Segoe UI',
                  Helvetica, Arial, 'Lucida Grande', sans-serif;
                  font-size: 13px;" class=""
                  id="yui_3_16_0_1_1450866594342_6845">                 
                    For the atomic position i got</span></div>
              <div class="yiv9628606616qtdSeparateBR"
                id="yui_3_16_0_1_1450866594342_3866" dir="ltr"><span
                  style="font-family: 'Helvetica Neue', 'Segoe UI',
                  Helvetica, Arial, 'Lucida Grande', sans-serif;
                  font-size: 13px;" class=""
                  id="yui_3_16_0_1_1450866594342_6912">
                  <blockquote type="cite"
                    id="yui_3_16_0_1_1450866594342_4518" class="">
                    <div class="" role="gridcell" tabindex="0"
                      id="yui_3_16_0_1_1450866594342_6888"
                      style="transition: none; outline: none 0px;">
                      <div id="yui_3_16_0_1_1450866594342_6889"
                        style="font-family: HelveticaNeue, 'Helvetica
                        Neue', Helvetica, Arial, 'Lucida Grande',
                        sans-serif; font-size: 16px;" class="">
                        <div class=""
                          id="yiv8580693823yui_3_16_0_1_1450677059337_4051"
                          style="margin: 1.2pt 0in;"><span class=""
                            id="yiv8580693823yui_3_16_0_1_1450677059337_9769"
                            style="font-size: 11pt; font-family:
                            Helvetica, sans-serif;">ATOMIC
                            POSITIONS(alat)</span></div>
                        <div class=""
                          id="yiv8580693823yui_3_16_0_1_1450677059337_4051"
                          style="margin: 1.2pt 0in;"><span class=""
                            id="yiv8580693823yui_3_16_0_1_1450677059337_9774"
                            style="font-size: 11pt; font-family:
                            Helvetica, sans-serif;">si    -0.035697193
                             -0.035697193  -0.035697193</span></div>
                        <div class=""
                          id="yiv8580693823yui_3_16_0_1_1450677059337_4051"
                          style="margin: 1.2pt 0in;" dir="ltr"><span
                            class=""
                            id="yiv8580693823yui_3_16_0_1_1450677059337_9779"
                            style="font-size: 11pt; font-family:
                            Helvetica, sans-serif;">si    0.208182292  
                             0.208182292    0.208182292</span></div>
                      </div>
                    </div>
                  </blockquote>
                </span></div>
              <div class="yiv9628606616qtdSeparateBR"
                id="yui_3_16_0_1_1450866594342_3866" dir="ltr"><span
                  style="font-family: 'Helvetica Neue', 'Segoe UI',
                  Helvetica, Arial, 'Lucida Grande', sans-serif;
                  font-size: 13px;" class="">is there a rule to use in
                  converting to </span></div>
              <div class="yiv9628606616qtdSeparateBR"
                id="yui_3_16_0_1_1450866594342_3866" dir="ltr"><span
                  style="font-family: 'Helvetica Neue', 'Segoe UI',
                  Helvetica, Arial, 'Lucida Grande', sans-serif;
                  font-size: 13px;" class=""
                  id="yui_3_16_0_1_1450866594342_7181">0 0 0 and 1/4 1/4
                  1/4 <br>
                </span></div>
              <div class="yiv9628606616qtdSeparateBR"
                id="yui_3_16_0_1_1450866594342_3866" dir="ltr"><span
                  style="font-family: 'Helvetica Neue', 'Segoe UI',
                  Helvetica, Arial, 'Lucida Grande', sans-serif;
                  font-size: 13px;" class=""><br>
                </span></div>
            </div>
          </div>
        </div>
      </div>
    </blockquote>
    read and understand the documentation.<br>
    Ask yourself how would you have defined the atomic positions and
    check in a few cases that you understand the way the code does it.
    it's just geometry.<br>
    <blockquote
cite="mid:1610648291.2191599.1450868014652.JavaMail.yahoo@mail.yahoo.com"
      type="cite">
      <div style="color:#000; background-color:#fff;
        font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial,
        Lucida Grande, sans-serif;font-size:16px">
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          <div id="yui_3_16_0_1_1450866594342_3868">
            <div
              style="color:#000;background-color:#fff;font-family:HelveticaNeue,
              Helvetica Neue, Helvetica, Arial, Lucida Grande,
              sans-serif;font-size:16px;"
              id="yui_3_16_0_1_1450866594342_3867">
              <div class="yiv9628606616qtdSeparateBR"
                id="yui_3_16_0_1_1450866594342_3866" dir="ltr"><span
                  style="font-family: 'Helvetica Neue', 'Segoe UI',
                  Helvetica, Arial, 'Lucida Grande', sans-serif;
                  font-size: 13px;" class=""
                  id="yui_3_16_0_1_1450866594342_7464">Agbaoye Ridwan
                  Olamide</span></div>
              <div class="yiv9628606616qtdSeparateBR"
                id="yui_3_16_0_1_1450866594342_3866" dir="ltr"><span
                  style="font-family: 'Helvetica Neue', 'Segoe UI',
                  Helvetica, Arial, 'Lucida Grande', sans-serif;
                  font-size: 13px;" class=""
                  id="yui_3_16_0_1_1450866594342_7183">Federal
                  University of Agriculture, Abeokuta</span></div>
              <div class="yiv9628606616qtdSeparateBR"
                id="yui_3_16_0_1_1450866594342_3866" dir="ltr"><span
                  style="font-family: 'Helvetica Neue', 'Segoe UI',
                  Helvetica, Arial, 'Lucida Grande', sans-serif;
                  font-size: 13px;" class=""
                  id="yui_3_16_0_1_1450866594342_7465">M.Sc. (in view)</span></div>
            </div>
          </div>
        </div>
        <div class=".yiv9628606616yahoo_quoted">
          <div style="font-family:HelveticaNeue, Helvetica Neue,
            Helvetica, Arial, Lucida Grande, sans-serif;font-size:16px;">
            <div style="font-family:HelveticaNeue, Helvetica Neue,
              Helvetica, Arial, Lucida Grande,
              sans-serif;font-size:16px;">
              <div dir="ltr"><font face="Arial" size="2"> On Monday,
                  December 21, 2015 1:18 AM, stefano de gironcoli
                  <a class="moz-txt-link-rfc2396E" href="mailto:degironc@sissa.it"><degironc@sissa.it></a> wrote:<br clear="none">
                </font></div>
              <br clear="none">
              <br clear="none">
              <div class="yiv9628606616y_msg_container">
                <div id="yiv9628606616">
                  <div>
                    <div class="yiv9628606616moz-cite-prefix">if nor
                      celldm(1) [in Bohr] nor A [in \AA] are given in
                      input and the CELL_PARAMETERS card is given then
                      alat is defined as the length (in bohr) of the
                      first vector in CELL_PARAMETERS<br clear="none">
                      in your case 7.5*sqrt(2.0)=10.60660172 bohr<br
                        clear="none">
                      <br clear="none">
                      if celldm(1) or A are given then the
                      CELL_PARAMETERS are interpreted as given in those
                      units.<br clear="none">
                      In input atomic positions are given in the
                      selected units, in output they are always given in
                      unit of the alat value computed/defined in input.<br
                        clear="none">
                      <br clear="none">
                      If you want to use AA as your input/output length
                      unit the easiest way is to define<br clear="none">
                      <br clear="none">
                      A=1.0 or celldm(1)=1.889726878 in the &system
                      namelist<br clear="none">
                      CELL_PARAMETERS<br clear="none">
                      ...<br clear="none">
                      ATOMIC_POSITIONS Angstrom [or alat since they are
                      the same] <br clear="none">
                      ...<br clear="none">
                      <br clear="none">
                      in output the positions and cell information will
                      be given in (input) alat units, that is in AA
                      again.<br clear="none">
                      <br clear="none">
                      HTH<br clear="none">
                      <br clear="none">
                      stefano<br clear="none">
                      <br clear="none">
                      PS <br clear="none">
                      in your case the silicon cell contracted by<br
                        clear="none">
                      0.487685488 * alat / 7.5 = 0.487685488 * sqrt(2) <br
                        clear="none">
                      the final cell corresponds to an FCC with<br
                        clear="none">
                      final_alat = input_alat * 0.487685488 / 0.5 =
                      10,345371472 bohr<br clear="none">
                      <br clear="none">
                      In these units the atomic coordinates are just <br
                        clear="none">
                      0 0 0 and 1/4 1/4 1/4 (plus a small shift away
                      from the origin due to the fact that the center of
                      mass remains fixed during relaxation)<br
                        clear="none">
                      <br clear="none">
                      <br clear="none">
                      <br clear="none">
                      On 21/12/2015 07:30, Ridwan Agbaoye wrote:<br
                        clear="none">
                    </div>
                    <blockquote type="cite">
                      <div class="yiv9628606616yqt0889623001"
                        id="yiv9628606616yqt00984">
                        <div
                          style="color:#000;background-color:#fff;font-family:HelveticaNeue,
                          Helvetica Neue, Helvetica, Arial, Lucida
                          Grande, sans-serif;font-size:16px;">
                          <div class="yiv9628606616"
                            id="yiv9628606616yui_3_16_0_1_1450677059337_9717"
style="margin-top:1.2pt;margin-right:0in;margin-bottom:1.2pt;margin-left:0in;"><span
                              class="yiv9628606616"
                              id="yiv9628606616yui_3_16_0_1_1450677059337_9719"
                              style="font-size:11pt;font-family:Helvetica,
                              sans-serif;">Good Morning Everybody,</span></div>
                          <div class="yiv9628606616"
                            id="yiv9628606616yui_3_16_0_1_1450677059337_4526"
                            style="margin:1.2pt 0in;"><span
                              class="yiv9628606616"
                              id="yiv9628606616yui_3_16_0_1_1450677059337_9724"
                              style="font-size:11pt;font-family:Helvetica,
                              sans-serif;">  </span></div>
                          <div class="yiv9628606616"
                            id="yiv9628606616yui_3_16_0_1_1450677059337_4557"
                            style="margin:1.2pt 0in;"><span
                              class="yiv9628606616"
                              id="yiv9628606616yui_3_16_0_1_1450677059337_9729"
                              style="font-size:11pt;font-family:Helvetica,
                              sans-serif;">I need some help with the
                              interpretation of vc-relax output and
                              conversion from  alat to bohr</span></div>
                          <div class="yiv9628606616"
                            id="yiv9628606616yui_3_16_0_1_1450677059337_4557"
                            style="margin:1.2pt 0in;"><span
                              class="yiv9628606616"
                              id="yiv9628606616yui_3_16_0_1_1450677059337_10896"
                              style="font-size:11pt;font-family:Helvetica,
                              sans-serif;">I want to do vc-relax
                              calculation for a monoclinic system but i
                              decide to start with silicon a
                              face-centered cubic system to understand
                              the concept of vc-relax properly </span></div>
                          <div class="yiv9628606616"
                            id="yiv9628606616yui_3_16_0_1_1450677059337_4525"
                            style="margin:1.2pt 0in;"><span
                              class="yiv9628606616"
                              id="yiv9628606616yui_3_16_0_1_1450677059337_9734"
                              style="font-size:11pt;font-family:Helvetica,
                              sans-serif;">I tried vc-relax for silicon
                              and i got the following output </span></div>
                          <div class="yiv9628606616"
                            id="yiv9628606616yui_3_16_0_1_1450677059337_4200"
                            style="margin:1.2pt 0in;"><span
                              class="yiv9628606616"
                              id="yiv9628606616yui_3_16_0_1_1450677059337_9739"
                              style="font-size:11pt;font-family:Helvetica,
                              sans-serif;">Begin Final Coordinate</span></div>
                          <div class="yiv9628606616"
                            id="yiv9628606616yui_3_16_0_1_1450677059337_4051"
                            style="margin:1.2pt 0in;"><span
                              class="yiv9628606616"
                              id="yiv9628606616yui_3_16_0_1_1450677059337_9744"
                              style="font-size:11pt;font-family:Helvetica,
                              sans-serif;">New Unit Cell volume =
                              276.90769au^3</span></div>
                          <div class="yiv9628606616"
                            id="yiv9628606616yui_3_16_0_1_1450677059337_4051"
                            style="margin:1.2pt 0in;"><span
                              class="yiv9628606616"
                              id="yiv9628606616yui_3_16_0_1_1450677059337_9749"
                              style="font-size:11pt;font-family:Helvetica,
                              sans-serif;">CELL
                              PARAMETERS(alat=10.60660172)</span></div>
                          <div class="yiv9628606616"
                            id="yiv9628606616yui_3_16_0_1_1450677059337_4051"
                            style="margin:1.2pt 0in;"><span
                              class="yiv9628606616"
                              id="yiv9628606616yui_3_16_0_1_1450677059337_9754"
                              style="font-size:11pt;font-family:Helvetica,
                              sans-serif;">-0.487685488  -0.000000000
                               0.487685488</span></div>
                          <div class="yiv9628606616"
                            id="yiv9628606616yui_3_16_0_1_1450677059337_4051"
                            style="margin:1.2pt 0in;"><span
                              class="yiv9628606616"
                              id="yiv9628606616yui_3_16_0_1_1450677059337_9759"
                              style="font-size:11pt;font-family:Helvetica,
                              sans-serif;"> 0.000117363  0.487685488  
                               0.487685488</span></div>
                          <div class="yiv9628606616"
                            id="yiv9628606616yui_3_16_0_1_1450677059337_4051"
                            style="margin:1.2pt 0in;"><span
                              class="yiv9628606616"
                              id="yiv9628606616yui_3_16_0_1_1450677059337_9764"
                              style="font-size:11pt;font-family:Helvetica,
                              sans-serif;">-0.487685488  0.487685488
                               -0.000000000</span></div>
                          <div class="yiv9628606616"
                            id="yiv9628606616yui_3_16_0_1_1450677059337_4051"
                            style="margin:1.2pt 0in;"><span
                              class="yiv9628606616"
                              id="yiv9628606616yui_3_16_0_1_1450677059337_9769"
                              style="font-size:11pt;font-family:Helvetica,
                              sans-serif;">ATOMIC POSITIONS(alat)</span></div>
                          <div class="yiv9628606616"
                            id="yiv9628606616yui_3_16_0_1_1450677059337_4051"
                            style="margin:1.2pt 0in;"><span
                              class="yiv9628606616"
                              id="yiv9628606616yui_3_16_0_1_1450677059337_9774"
                              style="font-size:11pt;font-family:Helvetica,
                              sans-serif;">si    -0.035697193
                               -0.035697193  -0.035697193</span></div>
                          <div class="yiv9628606616"
                            id="yiv9628606616yui_3_16_0_1_1450677059337_4051"
                            style="margin:1.2pt 0in;"><span
                              class="yiv9628606616"
                              id="yiv9628606616yui_3_16_0_1_1450677059337_9779"
                              style="font-size:11pt;font-family:Helvetica,
                              sans-serif;">si    0.208182292  
                               0.208182292    0.208182292</span></div>
                          <div class="yiv9628606616"
                            id="yiv9628606616yui_3_16_0_1_1450677059337_4051"
                            style="margin:1.2pt 0in;"><span
                              class="yiv9628606616"
                              id="yiv9628606616yui_3_16_0_1_1450677059337_9784"
                              style="font-size:11pt;font-family:Helvetica,
                              sans-serif;">End of Final coordinate</span></div>
                          <div class="yiv9628606616"
                            id="yiv9628606616yui_3_16_0_1_1450677059337_4051"
                            style="margin:1.2pt 0in;"><span
                              class="yiv9628606616"
                              id="yiv9628606616yui_3_16_0_1_1450677059337_9789"
                              style="font-size:11pt;font-family:Helvetica,
                              sans-serif;">  </span></div>
                          <div class="yiv9628606616"
                            id="yiv9628606616yui_3_16_0_1_1450677059337_4051"
                            style="margin:1.2pt 0in;"><span
                              class="yiv9628606616"
                              id="yiv9628606616yui_3_16_0_1_1450677059337_9794"
                              style="font-size:11pt;font-family:Helvetica,
                              sans-serif;">My input file has </span></div>
                          <div class="yiv9628606616"
                            id="yiv9628606616yui_3_16_0_1_1450677059337_4051"
                            style="margin:1.2pt 0in;"><span
                              class="yiv9628606616"
                              id="yiv9628606616yui_3_16_0_1_1450677059337_9799"
                              style="font-size:11pt;font-family:Helvetica,
                              sans-serif;">  </span></div>
                          <div class="yiv9628606616"
                            id="yiv9628606616yui_3_16_0_1_1450677059337_4051"
                            style="margin:1.2pt 0in;"><span
                              class="yiv9628606616"
                              id="yiv9628606616yui_3_16_0_1_1450677059337_9804"
                              style="font-size:11pt;font-family:Helvetica,
                              sans-serif;">ibrav=0    nat=2    ntyp=2</span></div>
                          <div class="yiv9628606616"
                            id="yiv9628606616yui_3_16_0_1_1450677059337_4051"
                            style="margin:1.2pt 0in;"><span
                              class="yiv9628606616"
                              id="yiv9628606616yui_3_16_0_1_1450677059337_9809"
                              style="font-size:11pt;font-family:Helvetica,
                              sans-serif;">  </span></div>
                          <div class="yiv9628606616"
                            id="yiv9628606616yui_3_16_0_1_1450677059337_4051"
                            style="margin:1.2pt 0in;"><span
                              class="yiv9628606616"
                              id="yiv9628606616yui_3_16_0_1_1450677059337_9814"
                              style="font-size:11pt;font-family:Helvetica,
                              sans-serif;">CELL PARAMETER cubic</span></div>
                          <div class="yiv9628606616"
                            id="yiv9628606616yui_3_16_0_1_1450677059337_4051"
                            style="margin:1.2pt 0in;"><span
                              class="yiv9628606616"
                              id="yiv9628606616yui_3_16_0_1_1450677059337_9819"
                              style="font-size:11pt;font-family:Helvetica,
                              sans-serif;">-7.5000  0.0000  7.5000</span></div>
                          <div class="yiv9628606616"
                            id="yiv9628606616yui_3_16_0_1_1450677059337_4051"
                            style="margin:1.2pt 0in;"><span
                              class="yiv9628606616"
                              id="yiv9628606616yui_3_16_0_1_1450677059337_9824"
                              style="font-size:11pt;font-family:Helvetica,
                              sans-serif;">0.0000  7.5000   7.5000</span></div>
                          <div class="yiv9628606616"
                            id="yiv9628606616yui_3_16_0_1_1450677059337_4051"
                            style="margin:1.2pt 0in;"><span
                              class="yiv9628606616"
                              id="yiv9628606616yui_3_16_0_1_1450677059337_9829"
                              style="font-size:11pt;font-family:Helvetica,
                              sans-serif;">-7.5000  7.5000   0.0000</span></div>
                          <div class="yiv9628606616"
                            id="yiv9628606616yui_3_16_0_1_1450677059337_4051"
                            style="margin:1.2pt 0in;"><span
                              class="yiv9628606616"
                              id="yiv9628606616yui_3_16_0_1_1450677059337_9834"
                              style="font-size:11pt;font-family:Helvetica,
                              sans-serif;">  </span></div>
                          <div class="yiv9628606616"
                            id="yiv9628606616yui_3_16_0_1_1450677059337_4051"
                            style="margin:1.2pt 0in;"><span
                              class="yiv9628606616"
                              id="yiv9628606616yui_3_16_0_1_1450677059337_9839"
                              style="font-size:11pt;font-family:Helvetica,
                              sans-serif;">How exactly do we derive our
                              celldm(1) and how do we convert to bohr</span></div>
                          <div class="yiv9628606616"
                            id="yiv9628606616yui_3_16_0_1_1450677059337_4051"
                            style="margin:1.2pt 0in;"><span
                              class="yiv9628606616"
                              style="font-size:11pt;font-family:Helvetica,
                              sans-serif;"><br clear="none">
                            </span></div>
                          <div class="yiv9628606616"
                            id="yiv9628606616yui_3_16_0_1_1450677059337_4051"
                            style="margin:1.2pt 0in;"><span
                              class="yiv9628606616"
                              id="yiv9628606616yui_3_16_0_1_1450677059337_9844"
                              style="font-size:11pt;font-family:Helvetica,
                              sans-serif;">Do we need to convert the
                              atomic position from alat to Bohr or
                              Angstrom</span></div>
                          <div class="yiv9628606616"
                            id="yiv9628606616yui_3_16_0_1_1450677059337_4051"
                            style="margin:1.2pt 0in;"><span
                              class="yiv9628606616"
                              style="font-size:11pt;font-family:Helvetica,
                              sans-serif;"><br clear="none">
                            </span></div>
                          <div class="yiv9628606616" dir="ltr"
                            id="yiv9628606616yui_3_16_0_1_1450677059337_4051"
                            style="margin:1.2pt 0in;"><font
                              id="yiv9628606616yui_3_16_0_1_1450677059337_11772"
                              face="Helvetica, sans-serif"><span
                                id="yiv9628606616yui_3_16_0_1_1450677059337_11773"
                                style="font-size:14.6666669845581px;">must
                                i use bohr as the unit of CELL
                                PARAMETERS or i can use Angstrom and
                                declare it as CELL PARAMETER(angstrom) </span></font></div>
                          <div class="yiv9628606616" dir="ltr"
                            id="yiv9628606616yui_3_16_0_1_1450677059337_4051"
                            style="margin:1.2pt 0in;"><font
                              face="Helvetica, sans-serif"><span
                                style="font-size:14.6666669845581px;"><br
                                  clear="none">
                              </span></font></div>
                          <div> </div>
                          <div class="yiv9628606616" dir="ltr"
                            id="yiv9628606616yui_3_16_0_1_1450677059337_9848"><br
                              clear="none">
                          </div>
                          <div class="yiv9628606616" dir="ltr"
                            id="yiv9628606616yui_3_16_0_1_1450677059337_9848">
                            Agbaoye Ridwan Olamide</div>
                          <div class="yiv9628606616" dir="ltr"
                            id="yiv9628606616yui_3_16_0_1_1450677059337_9848">
                            Federal University of Agriculture, Abeokuta</div>
                          <div class="yiv9628606616" dir="ltr"
                            id="yiv9628606616yui_3_16_0_1_1450677059337_9848">
                            M.Sc.(in view)</div>
                          <div class="yiv9628606616" dir="ltr"
                            id="yiv9628606616yui_3_16_0_1_1450677059337_9848"><a
                              moz-do-not-send="true" rel="nofollow"
                              shape="rect"
                              class="yiv9628606616moz-txt-link-abbreviated"
                              ymailto="mailto:agbaoyeridwan@yahoo.com"
                              target="_blank"
                              href="mailto:agbaoyeridwan@yahoo.com"><a class="moz-txt-link-abbreviated" href="mailto:agbaoyeridwan@yahoo.com">agbaoyeridwan@yahoo.com</a></a></div>
                        </div>
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                        class="yiv9628606616mimeAttachmentHeader"></fieldset>
                      <br clear="none">
                      <pre>_______________________________________________
Pw_forum mailing list
<a moz-do-not-send="true" rel="nofollow" shape="rect" class="yiv9628606616moz-txt-link-abbreviated" ymailto="mailto:Pw_forum@pwscf.org" target="_blank" href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a>
<a moz-do-not-send="true" rel="nofollow" shape="rect" class="yiv9628606616moz-txt-link-freetext" target="_blank" href="http://pwscf.org/mailman/listinfo/pw_forum">http://pwscf.org/mailman/listinfo/pw_forum</a></pre>
                    </blockquote>
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