<div dir="ltr"><div class="gmail_default" style="font-family:comic sans ms,sans-serif;color:rgb(0,0,0)"><div class="gmail_default" style="font-family:comic sans ms,sans-serif;color:rgb(0,0,0)">Dear Users <br></div>I'm trying to make slab in vesta for TiO2 ( Rutile and anatase).
for instance to make (011) slab, just opened P1 structure of rutile in
vesta and used the following matrix (0 -1 1;1 0 0;0 1 1) . this creates
interested slab, but the problem is as lattice parameters a and c are
different one the crystallography angle of slab is not 90(remaining two
angles are 90, since a=b). but my target to prepare all to be 90*
angles, to simplify further calculations<br><div class="gmail_default" style="font-family:comic sans ms,sans-serif;color:rgb(0,0,0)"><br>I have attached the prepared rutile-011 slab( 1x1)
vesta file with this mail. I look forward to your kind suggestions and
comments on to make 90* for all angles. <br><br></div><div class="gmail_default" style="font-family:comic sans ms,sans-serif;color:rgb(0,0,0)">Note:
after creating slab i tried to rotate the unit cell but it losses the
symmetry hence it fails to attain 90*. since the beta is 114*. to make
it to 90 i can rotate it by (114-90) =24 about b axis, which( 24*) do
not includes required no of atoms to maintain the symmetry.<br> <br></div>Thank you<br><span style="color:rgb(0,0,255)"><i><span style="font-family:tahoma,sans-serif"><font size="2"><b><br>--------------------------------------<br></b></font></span></i></span></div><div class="gmail_default"><span style="color:rgb(0,0,255)"><i><span style="font-family:tahoma,sans-serif"><font size="2"><b>Muthu V<br></b></font></span></i></span></div><div class="gmail_default"><span style="color:rgb(0,0,255)"><i><span style="font-family:tahoma,sans-serif"><font size="2"><b>Sri Paramakalyani College<br></b></font></span></i></span></div><div class="gmail_default"><span style="color:rgb(0,0,255)"><i><span style="font-family:tahoma,sans-serif"><font size="2"><b>Alwarkurichi<br></b></font></span></i></span></div><div class="gmail_default" style="font-family:comic sans ms,sans-serif;color:rgb(0,0,0)"><span style="color:rgb(0,0,255)"><i><span style="font-family:tahoma,sans-serif"><font size="2"><b>India<br>--------------------------------------</b></font></span></i></span><br></div></div>