<html><body><div style="color:#000; background-color:#fff; font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:13px"><div id="yui_3_16_0_1_1433322918042_3626"><span id="yui_3_16_0_1_1433322918042_3914">Dear Abo </span></div><div id="yui_3_16_0_1_1433322918042_3626">I have checked case.in0 it shows following:</div><div id="yui_3_16_0_1_1433322918042_3626"><br></div><div id="yui_3_16_0_1_1433322918042_3626" class="" style="">    TOT  XC_PBE     (XC_LDA,XC_PBESOL,XC_WC,XC_MBJ,XC_REVTPSS)</div><div id="yui_3_16_0_1_1433322918042_3626" class="" style="">    NR2V</div><div dir="ltr" class="" style="" id="yui_3_16_0_1_1433322918042_4601"><br class="" style=""></div>  <div id="yui_3_16_0_1_1433322918042_3626" class="" style="">How to manage this error if there is format difference.</div><div id="yui_3_16_0_1_1433322918042_3626" class="" style=""><br></div><div id="yui_3_16_0_1_1433322918042_3626" class="" style="">Regards</div><div id="yui_3_16_0_1_1433322918042_3626" class="" style="">Batsaikhan.T</div><br><div class="qtdSeparateBR"><br><br></div><div class="yahoo_quoted" style="display: block;"> <div style="font-family: HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif; font-size: 13px;"> <div style="font-family: HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif; font-size: 16px;"> <div dir="ltr"> <font size="2" face="Arial"> On Wednesday, June 3, 2015 7:01 AM, Gavin Abo <gsabo@crimson.ua.edu> wrote:<br> </font> </div>  <br><br> <div class="y_msg_container"><div id="yiv7746346802"><div>
    <div class="yiv7746346802moz-cite-prefix">As the error indicates, there is a
      problem with the contents of the c-mini.in0 file.  Without seeing
      what is in c-mini.in0, it is hard to know what is wrong.<br clear="none">
      <br clear="none">
      The case.in0 format has changed between 13.1 and 14.2.  The
      functionals used to be specified with a number like "13" for PBE,
      but now they are specify with a string like "XC_PBE".  So maybe
      the problem is due to the format changed.  For details on the new
      format of case.in0, see section "7.1.3 Input" on page 106 of the
      WIEN2k 14.2 usersguide [
      <a rel="nofollow" shape="rect" class="yiv7746346802moz-txt-link-freetext" target="_blank" href="http://www.wien2k.at/reg_user/textbooks/usersguide.pdf">http://www.wien2k.at/reg_user/textbooks/usersguide.pdf</a> ].<br clear="none">
      <div class="yiv7746346802yqt5810344847" id="yiv7746346802yqtfd73046"><br clear="none">
      On 6/2/2015 10:39 AM, B Tankhilsaihan wrote:<br clear="none">
    </div></div><div class="yiv7746346802yqt5810344847" id="yiv7746346802yqtfd95935">
    <blockquote type="cite">
      <div style="color:#000;background-color:#fff;font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:13px;">
        <div id="yiv7746346802yui_3_16_0_1_1433259313106_3581"><span>Hello Abo </span></div>
        <div id="yiv7746346802yui_3_16_0_1_1433259313106_3581">Thank you for your
          help</div>
        <div id="yiv7746346802yui_3_16_0_1_1433259313106_3581">I updated software now
          i am running on Wien2k_14.2 </div>
        <div dir="ltr" id="yiv7746346802yui_3_16_0_1_1433259313106_3581">when i run
          mini_position do i need to restore previous SCF calculation or
          It does new SCF itself ?</div>
        <div id="yiv7746346802yui_3_16_0_1_1433259313106_3581">Is there something to
          do with previous SCF calculation in the mini_position?</div>
        <div dir="ltr" id="yiv7746346802yui_3_16_0_1_1433259313106_3581">I assuming
          "not" and created new session but i got error when I do
          initialization.</div>
        <div dir="ltr" id="yiv7746346802yui_3_16_0_1_1433259313106_3581">The error
          occurs in  "x dstart" as following </div>
        <div dir="ltr" id="yiv7746346802yui_3_16_0_1_1433259313106_3581"><br clear="none">
        </div>
        <table class="yiv7746346802" id="yiv7746346802yui_3_16_0_1_1433259313106_6283" style="font-family:Helvetica, Arial, sans-serif;border:0px;padding:2px;background-color:rgb(240, 240, 240);" border="1"><tbody class="yiv7746346802" id="yiv7746346802yui_3_16_0_1_1433259313106_6287" style=""><tr class="yiv7746346802" id="yiv7746346802yui_3_16_0_1_1433259313106_6286" style="border:0px;padding:0px;"><td colspan="1" rowspan="1" class="yiv7746346802" id="yiv7746346802yui_3_16_0_1_1433259313106_6285" style="border:0px;">
                <pre class="yiv7746346802" id="yiv7746346802yui_3_16_0_1_1433259313106_6288" style="font-family:Courier, fixed;">forrtl: severe (24): end-of-file during read, unit 14, file /home/wgfkp/WIEN2k/c-mini/c-mini.in0
Image              PC                Routine            Line        Source             
dstart             0000000000455C26  Unknown               Unknown  Unknown
dstart             00000000004108D6  make_inter_                35  make_inter.F
dstart             000000000040D988  MAIN__                     21  dstart.F
dstart             0000000000402ED6  Unknown               Unknown  Unknown
libc.so.6          00002B61153F1A40  Unknown               Unknown  Unknown
dstart             0000000000402DC9  Unknown               Unknown  Unknown
3.4u 0.1s 0:03.55 99.7% 0+0k 0+13120io 0pf+0w
error: command   /home/wgfkp/wien2k/dstart dstart.def   failed
</pre>
                <div class="yiv7746346802" dir="ltr" id="yiv7746346802yui_3_16_0_1_1433259313106_6284" style=""><br clear="none" class="yiv7746346802" style="">
                </div>
              </td></tr></tbody></table>
        <div class="yiv7746346802" dir="ltr" id="yiv7746346802yui_3_16_0_1_1433259313106_3581" style=""><br clear="none" class="yiv7746346802" style="">
        </div>
        <div class="yiv7746346802" dir="ltr" id="yiv7746346802yui_3_16_0_1_1433259313106_3581" style="">Inputs are same as previous calculation which is done
          without error.  </div>
        <div class="yiv7746346802" dir="ltr" id="yiv7746346802yui_3_16_0_1_1433259313106_3581" style=""><br clear="none">
        </div>
        <div class="yiv7746346802" dir="ltr" id="yiv7746346802yui_3_16_0_1_1433259313106_3581" style=""><br clear="none">
        </div>
        <div class="yiv7746346802" dir="ltr" id="yiv7746346802yui_3_16_0_1_1433259313106_3581" style="">Regards</div>
        <div class="yiv7746346802" dir="ltr" id="yiv7746346802yui_3_16_0_1_1433259313106_3581" style="">Batsaikhan.T</div>
      </div>
    </blockquote>
  </div></div></div><br><div class="yqt5810344847" id="yqtfd87716">_______________________________________________<br clear="none">Wien mailing list<br clear="none"><a shape="rect" ymailto="mailto:Wien@zeus.theochem.tuwien.ac.at" href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a><br clear="none"><a shape="rect" href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" target="_blank">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br clear="none">SEARCH the MAILING-LIST at:  <a shape="rect" href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html" target="_blank">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html</a><br clear="none"></div><br><br></div>  </div> </div>  </div></div></body></html>