<div dir="ltr"><div><br></div><div>Thank you Gavin!</div><div>This was the problem, I fixed it.</div><div><br></div><div>Regards</div><div>Patrik</div><div><br></div><br><div class="gmail_quote"><div dir="ltr"><div class="gmail_quote"><span class="">---------- Forwarded message ----------<br>From: <b class="gmail_sendername">Gavin Abo</b> <span dir="ltr"><<a href="mailto:gsabo@crimson.ua.edu" target="_blank">gsabo@crimson.ua.edu</a>></span><br></span><span class="">Date: Wed, Jul 22, 2015 at 12:13 AM<br>Subject: Re: [Wien] problem with w2w<br>To: A Mailing list for WIEN2k users <<a href="mailto:wien@zeus.theochem.tuwien.ac.at" target="_blank">wien@zeus.theochem.tuwien.ac.at</a>><br><br><br>
  
    
  
  </span><div bgcolor="#FFFFFF" text="#000000">
    <div>Check which x_lapw file it is running. 
      It seems like it might be running x_lapw from an old WIEN2k
      version or the WIEN2k 14.2 x_lapw file that you installed could be
      damaged (i.e., is missing the w2w code), which could cause the '<span style="color:rgb(255,0,0)">(x) command w2w does not exist ->
        exit</span>' error.<br>
      <br>
      On my system, I run the command: x -h w2w<br>
      <br>
      It gives in the output:<br>
      <br>
      x w2w [-up/-dn -c -so -p]<br>
      <br>
      This partially indicates that is running an x_lapw that should
      contain the w2w code.<div><div class="h5"><div><div><br>
      <br>
      On 7/21/2015 3:02 PM, Patrik Wealth wrote:<br>
    </div></div></div></div></div><div><div class="h5"><div><div>
    <blockquote type="cite">
      <div dir="ltr">
        <div>
          <div>
            <div><br>
            </div>
            Thank you Gavin!<br>
          </div>
          If I run w2w with x, it complains   '<span style="color:rgb(255,0,0)">(x) command w2w does not exist
            -> exit</span>'. <br>
          However, all interface commands (write_inwf, ...) run without
          x.<br>
        </div>
        <br>
        The w2w.def file does NOT exist.<br>
        <div>
          <div>I should mention that when I run init_w2w (without x, it
            complains with x),<br>
          </div>
          <div>it creates case.ksym file, it runs kgen and also
            find_bands but it skips write_w2win and jumps to the next
            steps which are write_win and wannier90.x -pp and finishes
            here without going to write_w2wdef. SO two files (case.w2win
            and w2w.def) are missing.<br>
          </div>
          <br>
        </div>
        <div>I checked the compile message in 'SRC_w2w/compile.msg'. It
          does not have any error, there is only the following warning:<br>
          make: warning:  Clock skew detected.  Your build may be
          incomplete.<br>
          <br>
        </div>
        <div>where does it go wrong?<br>
          <br>
        </div>
        <div>Thanks again<br>
        </div>
        <div>Patrik<br>
        </div>
        <div>
          <div>
            <div>
              <div class="gmail_quote"><br>
                <div dir="ltr"><br>
                  <div class="gmail_quote">From: <b class="gmail_sendername">Gavin Abo</b> <span dir="ltr"><<a href="mailto:gsabo@crimson.ua.edu" target="_blank">gsabo@crimson.ua.edu</a>></span><br>
                    Date: Tue, Jul 21, 2015 at 5:34 PM<br>
                    Subject: Re: [Wien] problem with w2w<br>
                    To: A Mailing list for WIEN2k users <<a href="mailto:wien@zeus.theochem.tuwien.ac.at" target="_blank">wien@zeus.theochem.tuwien.ac.at</a>><br>
                    <br>
                    <br>
                    <div bgcolor="#FFFFFF" text="#000000">
                      <div>You might want to try my patch
                        (w2w_main.patch), which you can get at <a href="https://github.com/gsabo/WIEN2k-Patches/tree/master/14.2" target="_blank">https://github.com/gsabo/WIEN2k-Patches/tree/master/14.2</a>
                        (click WIEN2k-Patches and Download ZIP)?<br>
                        <br>
                        I think this will improve the error message in
                        w2w.error from what you got to:<br>
                        <br>
                        'w2w' - can't open definition file <font color="#ff0000">w2w.def</font><br>
                        <br>
                        You mentioned that you ran the command: w2w.<br>
                        <br>
                        Did you launch w2w with the x command: x w2w?<br>
                        <br>
                        The x is important, because it is a link to the
                        x_lapw script that should create the w2w.def
                        file.  Check for the w2w.def file, does it
                        exist, is it non-empty, and does it have read
                        permissions?
                        <div>
                          <div>
                            <div>
                              <div><br>
                                <br>
                                On 7/21/2015 3:15 AM, Patrik Wealth
                                wrote:<br>
                              </div>
                            </div>
                          </div>
                        </div>
                      </div>
                      <div>
                        <div>
                          <div>
                            <div>
                              <blockquote type="cite">
                                <div dir="ltr"><span style="font-size:12.8px">Hi Prof
                                    Blaha and Wien2k users,</span><br style="font-size:12.8px">
                                  <br style="font-size:12.8px">
                                  <span style="font-size:12.8px">I have
                                    a question regarding wien2wannier
                                    interface.</span>
                                  <div><span style="font-size:12.8px">The
                                      command w2w returns '</span>w2w -
                                    Error<span style="font-size:12.8px">'
                                      and when I check the error file</span></div>
                                  <div><span style="font-size:12.8px">it's
                                      written </span>'w2w' - can't open
                                    definition file.</div>
                                  <div><br>
                                  </div>
                                  <div><span style="font-size:12.8px">I
                                      have installed Wien2k_14.2 without
                                      any error. I was able to run all
                                      previous steps</span><br>
                                  </div>
                                  <div><span style="font-size:12.8px">for
                                      bulk GaAs (namely, creating the
                                      bulk bandstructure with wien2k,
                                      preparing a separate directory,</span></div>
                                  <div><span style="font-size:12.8px">running
                                      init_w2w and running lapw1 again)
                                      without any problem.</span></div>
                                  <div>
                                    <div><br style="font-size:12.8px">
                                      <span style="font-size:12.8px">Does
                                        anyone know where the problem is
                                        or at least point me in the
                                        right direction?</span></div>
                                    <div><span style="font-size:12.8px">By
                                        the way, lapw1.def file has been
                                        created, if this is the
                                        mentioned definition file.</span></div>
                                    <div>I appreciate any help.<br>
                                      <div><span style="font-size:12.8px"><br>
                                        </span></div>
                                      <div><span style="font-size:12.8px">Thanks
                                          in advance</span></div>
                                      <div><span style="font-size:12.8px">Patrik</span></div>
                                    </div>
                                  </div>
                                </div>
                              </blockquote>
                            </div>
                          </div>
                        </div>
                      </div>
                    </div>
                  </div>
                </div>
              </div>
            </div>
          </div>
        </div>
      </div>
    </blockquote>
  </div></div></div></div></div><div><div class="h5">

<br>_______________________________________________<br>
Wien mailing list<br>
<a href="mailto:Wien@zeus.theochem.tuwien.ac.at" target="_blank">Wien@zeus.theochem.tuwien.ac.at</a><br>
<a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" rel="noreferrer" target="_blank">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br>
SEARCH the MAILING-LIST at:  <a href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html" rel="noreferrer" target="_blank">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html</a><br>
<br></div></div></div><br></div>
</div><br></div>