<div dir="ltr"><div dir="ltr">On Fri, May 31, 2019 at 9:28 PM Yeon, Jejoon <<a href="mailto:jyeon@udel.edu">jyeon@udel.edu</a>> wrote:<br></div><div class="gmail_quote"><div> </div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr"><div id="gmail-m_-1793453526008740670divtagdefaultwrapper" style="font-size:12pt;color:rgb(0,0,0);font-family:Calibri,Helvetica,sans-serif" dir="ltr"><div><div> from init_dofree : error # 1</div>
<div> unknown cell_dofree ibrav</div></div></div></div></blockquote><div><br></div><div>go into Modules/cell_base.f90, search for subroutine init_dofree. At the very beginning:</div><div><br></div><div> SELECT CASE ( TRIM( cell_dofree ) )<br> CASE ( 'all', 'default' )<br> iforceh = 1<br> CASE ( 'ibrav')<br> iforceh = 1<br> enforce_ibrav = .true.</div><div><br></div>If you do not see those lines, you are running an old version.<br></div><div class="gmail_quote"><br></div><div>Paolo<br clear="all"></div>-- <br><div dir="ltr" class="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div>Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br>Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>Phone +39-0432-558216, fax +39-0432-558222<br><br></div></div></div></div></div></div>