<html><head></head><body><div style="color:#000; background-color:#fff; font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:16px"><div id="yui_3_16_0_1_1450702805062_4254" dir="ltr"><span id="yui_3_16_0_1_1450702805062_4415">I am very grateful Prof. Giovanni Cantele, </span>you have saved me a lot of stress </div><div id="yui_3_16_0_1_1450702805062_4254" dir="ltr"><span><br></span></div><div id="yui_3_16_0_1_1450702805062_4254" dir="ltr">Of course cos(ab) was defined in PW.html within A,B,C cos(ab) but not defined in among celldm(1)-celldm(6)</div><div id="yui_3_16_0_1_1450702805062_4254" dir="ltr"><br></div><div id="yui_3_16_0_1_1450702805062_4254" dir="ltr">Many Thanks to all forum members </div> <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: 16px;"> <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 Monday, December 21, 2015 5:27 AM, Giovanni Cantele <giovanni.cantele@spin.cnr.it> wrote:<br></font></div> <br><br> <div class="y_msg_container"><div id="yiv5397168732"><div>cos(ab) means cosine of the angle between lattice AXIS a and lattice AXIS b, so xcrysden gives you the correct view<div class="yiv5397168732"><br clear="none" class="yiv5397168732"></div><div class="yiv5397168732">see also Doc/INPUT_PW.txt at the description of the variable A, B, C, cosAB, cosAC, cosBC</div><div class="yiv5397168732"><br clear="none" class="yiv5397168732"></div><div class="yiv5397168732">Giovanni</div><div class="yiv5397168732"><br clear="none" class="yiv5397168732"><div><blockquote class="yiv5397168732" type="cite"><div class="yiv5397168732yqt2319555693" id="yiv5397168732yqt92566"><div class="yiv5397168732">On 21 Dec 2015, at 12:16, Ridwan Agbaoye <<a rel="nofollow" shape="rect" class="yiv5397168732" ymailto="mailto:agbaoyeridwan@yahoo.com" target="_blank" href="mailto:agbaoyeridwan@yahoo.com">agbaoyeridwan@yahoo.com</a>> wrote:</div><br clear="none" class="yiv5397168732Apple-interchange-newline"><div class="yiv5397168732"><div class="yiv5397168732"><div class="yiv5397168732" style="background-color:rgb(255, 255, 255);font-family:HelveticaNeue, 'Helvetica Neue', Helvetica, Arial, 'Lucida Grande', sans-serif;font-size:16px;"><div class="yiv5397168732" id="yiv5397168732yui_3_16_0_1_1450695527382_7752">Good day everyone </div><div class="yiv5397168732" id="yiv5397168732yui_3_16_0_1_1450695527382_7752">I need some help with clarification on celldm(4)=cos(ab) </div><div class="yiv5397168732" id="yiv5397168732yui_3_16_0_1_1450695527382_7752"><br clear="none" class="yiv5397168732"></div><div class="yiv5397168732" dir="ltr" id="yiv5397168732yui_3_16_0_1_1450695527382_7752">Does cos(ab) mean the cosine of angle between lattice parameter a and b </div><div class="yiv5397168732" dir="ltr" id="yiv5397168732yui_3_16_0_1_1450695527382_7752">or it means the cosine of the product of the lattice parameter a and b that is cosine(lattice parameter a*lattice parameter b)</div><div class="yiv5397168732" dir="ltr" id="yiv5397168732yui_3_16_0_1_1450695527382_7752"><br clear="none" class="yiv5397168732"></div><div class="yiv5397168732" dir="ltr" id="yiv5397168732yui_3_16_0_1_1450695527382_7752">when i view my input file using xcrysden it looks like a cubic structure when i used celldm(4)=cos(ab)=0 since angle between a and b is 90 degree</div><div class="yiv5397168732" dir="ltr" id="yiv5397168732yui_3_16_0_1_1450695527382_7752"><br clear="none" class="yiv5397168732"></div><div class="yiv5397168732" dir="ltr" id="yiv5397168732yui_3_16_0_1_1450695527382_7752">but looked like a monoclinic structure when i used cosine(lattice parameter a*lattice parameter b)</div><div class="yiv5397168732" dir="ltr" id="yiv5397168732yui_3_16_0_1_1450695527382_7752"><br clear="none" class="yiv5397168732"></div><div class="yiv5397168732" dir="ltr" id="yiv5397168732yui_3_16_0_1_1450695527382_7752">Am i getting the cos(ab) wrong</div><div class="yiv5397168732" dir="ltr" id="yiv5397168732yui_3_16_0_1_1450695527382_7752"><br clear="none" class="yiv5397168732"></div><div class="yiv5397168732" dir="ltr" id="yiv5397168732yui_3_16_0_1_1450695527382_7752">Many Thanks to everyone on this forum </div><div class="yiv5397168732" dir="ltr" id="yiv5397168732yui_3_16_0_1_1450695527382_7752"><br clear="none" class="yiv5397168732"></div></div></div>_______________________________________________<br clear="none" class="yiv5397168732">Pw_forum mailing list<br clear="none" class="yiv5397168732"><a rel="nofollow" shape="rect" class="yiv5397168732" ymailto="mailto:Pw_forum@pwscf.org" target="_blank" href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br clear="none" class="yiv5397168732">http://pwscf.org/mailman/listinfo/pw_forum</div></div></blockquote></div><br clear="none" class="yiv5397168732"></div></div></div><br><div class="yqt2319555693" id="yqt70007">_______________________________________________<br clear="none">Pw_forum mailing list<br clear="none"><a shape="rect" ymailto="mailto:Pw_forum@pwscf.org" href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br clear="none"><a shape="rect" href="http://pwscf.org/mailman/listinfo/pw_forum" target="_blank">http://pwscf.org/mailman/listinfo/pw_forum</a></div><br><br></div> </div> </div> </div></div></body></html>