<div dir="ltr"><div class="gmail_default" style="font-family:garamond,serif"><font>Dear all<br><br></font></div><div class="gmail_default" style="font-family:garamond,serif"><font>In trying to generate the structure file of Sr2MnTiO6 in the space group I4/m (No 87), the Sr and the O positions do not split. The message "Splitting of equivalent positions not available.<br> To split you must select a lattice type"<br><br></font></div><div class="gmail_default" style="font-family:garamond,serif"><font>I suspect some is corrupted because it was working well with Wien2k 13 and 14.<br><br></font></div><div class="gmail_default" style="font-family:garamond,serif"><font>How do I recover this problem.<br><br></font></div><div class="gmail_default" style="font-family:garamond,serif"><font>Best wishes<br><br></font></div><div class="gmail_default" style="font-family:garamond,serif"><font>O A Yassin<br>============<br></font></div><div class="gmail_default" style="font-family:garamond,serif"><font><br></font></div><div class="gmail_default" style="font-family:garamond,serif"><font>The structure panel looks as shown below<br><br></font><table><tbody><tr><td><b>Lattice:</b>
<br>
Spacegroup: 87_I4/m_                    <br><br><br>Splitting of equivalent positions not available.<br> To split you must select a lattice type</td><td><a href="http://www.cryst.ehu.es/cgi-bin/cryst/programs/nph-wp-list" target="spgrp">Spacegroups from<br>Bilbao Cryst Server</a></td></tr></tbody></table>

<b>Lattice parameters </b>in 


<br>
       a=<input name="s_a" value="5.470200017568" size="10" readonly>
b=<input name="s_b" value="5.470200017568" size="10" readonly>
c=<input name="s_c" value="7.736099947532" size="10" readonly>
<br>       α=<input name="s_aa" value="90.000000" size="10" readonly>
β=<input name="s_bb" value="90.000000" size="10" readonly>
γ=<input name="s_cc" value="90.000000" size="10" readonly>
<br>
<br>
<b>Inequivalent Atoms: 5</b>


<br><b>Atom 1</b>: 

<input size="3" name="s_name[1]" value="Sr" maxlength="2" readonly>
<input size="8" name="s_nameadd[1]" value="1       " readonly>

Z=<input size="4" name="s_zz[1]" value="38.0" readonly>
RMT=<input size="5" name="s_rmt[1]" value="2.4900" readonly>

 
 
 
<br>
       Pos 1:
x=<input name="s_x[1][1]" value="0.00000000 " size="10" readonly>
y=<input name="s_y[1][1]" value="0.50000000 " size="10" readonly>
z=<input name="s_z[1][1]" value="0.25000000" size="10" readonly>

<br>









<br><b>Atom 2</b>: 

<input size="3" name="s_name[2]" value="Mn" maxlength="2" readonly>
<input size="8" name="s_nameadd[2]" value="2       " readonly>

Z=<input size="4" name="s_zz[2]" value="25.0" readonly>
RMT=<input size="5" name="s_rmt[2]" value="1.8600" readonly>

 
 
 
<br>
       Pos 1:
x=<input name="s_x[2][1]" value="0.00000000 " size="10" readonly>
y=<input name="s_y[2][1]" value="0.00000000 " size="10" readonly>
z=<input name="s_z[2][1]" value="0.00000000" size="10" readonly>

<br>









<br><b>Atom 3</b>: 

<input size="3" name="s_name[3]" value="Ti" maxlength="2" readonly>
<input size="8" name="s_nameadd[3]" value="3       " readonly>

Z=<input size="4" name="s_zz[3]" value="22.0" readonly>
RMT=<input size="5" name="s_rmt[3]" value="1.8800" readonly>

 
 
 
<br>
       Pos 1:
x=<input name="s_x[3][1]" value="0.50000000 " size="10" readonly>
y=<input name="s_y[3][1]" value="0.50000000 " size="10" readonly>
z=<input name="s_z[3][1]" value="0.00000000" size="10" readonly>

<br>









<br><b>Atom 4</b>: 

<input size="3" name="s_name[4]" value="O " maxlength="2" readonly>
<input size="8" name="s_nameadd[4]" value="4       " readonly>

Z=<input size="4" name="s_zz[4]" value="8.0" readonly>
RMT=<input size="5" name="s_rmt[4]" value="1.6000" readonly>

 
 
 
<br>
       Pos 1:
x=<input name="s_x[4][1]" value="0.00000000 " size="10" readonly>
y=<input name="s_y[4][1]" value="0.00000000 " size="10" readonly>
z=<input name="s_z[4][1]" value="0.24600000" size="10" readonly>

<br>









<br><b>Atom 5</b>: 

<input size="3" name="s_name[5]" value="O " maxlength="2" readonly>
<input size="8" name="s_nameadd[5]" value="5       " readonly>

Z=<input size="4" name="s_zz[5]" value="8.0" readonly>
RMT=<input size="5" name="s_rmt[5]" value="1.6000" readonly>

 
 
 
<br>
       Pos 1:
x=<input name="s_x[5][1]" value="0.24600000 " size="10" readonly>
y=<input name="s_y[5][1]" value="0.24600000 " size="10" readonly>
z=<input name="s_z[5][1]" value="0.00000000" size="10" readonly>

<br>









<br>Number of symmetry operations: 
generate<br><br>============================================<br></div><div class="gmail_extra"><br><br></div></div>