<html><body><div style="color:#000; background-color:#fff; font-family:Courier New, courier, monaco, monospace, sans-serif;font-size:14pt"><div class="" style="">Dear All</div><div class="" style="">I am doing the initialization but getting this problem, </div><div class="" style=""> check in dddd.outputsgroup for proper symmetry, compare</div><div class="" style=""> with your struct file and later with dddd.outputs</div><div class="" style=""> sgroup has also produced a new struct file based on your old one.</div><div class="" style=""> If you see warnings above, consider to use the newly generated</div><div class="" style=""> struct file, which you can view (edit) now.</div><div class="" style="">-----> continue with symmetry (old case.struct) or use/edit dddd.struct_sgroup ? (c/e)</div><div class=""
style="">c</div><div class="" style="">> symmetry (15:05:32) 0.000u 0.008s 0:00.02 0.0% 0+0k 256+64io 1pf+0w</div><div class="" style=""> ---------- ERROR ------------------</div><div class="" style=""> ERROR: (multiplicity of atom 1 )*(number of pointgroup-operations)</div><div class="" style=""> ERROR: is NOT = (number of spacegroup-operations)</div><div class="" style=""> ERROR: MULT: 4 ISYM: 2 NSYM 4</div><div class="" style=""> ERROR: Check your struct file with x sgroup</div><div class="" style=""> ---------- ERROR ------------------</div><div class="" style=""> ---------- ERROR ------------------</div><div class="" style=""> ERROR: (multiplicity of atom 2 )*(number of
pointgroup-operations)</div><div class="" style=""> ERROR: is NOT = (number of spacegroup-operations)</div><div class="" style=""> ERROR: MULT: 4 ISYM: 2 NSYM 4</div><div class="" style=""> ERROR: Check your struct file with x sgroup</div><div class="" style=""> ---------- ERROR ------------------</div><div class="" style=""> ---------- ERROR ------------------</div><div class="" style=""> ERROR: (multiplicity of atom 3 )*(number of pointgroup-operations)</div><div class="" style=""> ERROR: is NOT = (number of spacegroup-operations)</div><div class="" style=""> ERROR: MULT: 4 ISYM: 2 NSYM 4</div><div class="" style=""> ERROR: Check
your struct file with x sgroup</div><div class="" style=""> ---------- ERROR ------------------</div><div class="" style=""> ---------- ERROR ------------------</div><div class="" style=""> ERROR: (multiplicity of atom 4 )*(number of pointgroup-operations)</div><div class="" style=""> ERROR: is NOT = (number of spacegroup-operations)</div><div class="" style=""> ERROR: MULT: 4 ISYM: 2 NSYM 4</div><div class="" style=""> ERROR: Check your struct file with x sgroup</div><div class="" style=""> ---------- ERROR ------------------</div><div class="" style=""> ---------- ERROR ------------------</div><div class="" style=""> ERROR: (multiplicity of atom 5 )*(number of pointgroup-operations)</div><div
class="" style=""> ERROR: is NOT = (number of spacegroup-operations)</div><div class="" style=""> ERROR: MULT: 4 ISYM: 2 NSYM 4</div><div class="" style=""> ERROR: Check your struct file with x sgroup</div><div class="" style=""> ---------- ERROR ------------------</div><div class="" style=""> ---------- ERROR ------------------</div><div class="" style=""> ERROR: (multiplicity of atom 6 )*(number of pointgroup-operations)</div><div class="" style=""> ERROR: is NOT = (number of spacegroup-operations)</div><div class="" style=""> ERROR: MULT: 4 ISYM: 2 NSYM 4</div><div class="" style=""> ERROR: Check your struct file with
x sgroup</div><div class="" style=""> ---------- ERROR ------------------</div><div class="" style=""> ---------- ERROR ------------------</div><div class="" style=""> ERROR: (multiplicity of atom 7 )*(number of pointgroup-operations)</div><div class="" style=""> ERROR: is NOT = (number of spacegroup-operations)</div><div class="" style=""> ERROR: MULT: 4 ISYM: 2 NSYM 4</div><div class="" style=""> ERROR: Check your struct file with x sgroup</div><div class="" style=""> ---------- ERROR ------------------</div><div class="" style=""><br></div><div class="" style="color: rgb(0, 0, 0); font-size: 19.09090805053711px; font-family: 'Courier New', courier, monaco, monospace, sans-serif; font-style: normal; background-color: transparent;">Please help
me.</div><div class="" style="color: rgb(0, 0, 0); font-size: 19.09090805053711px; font-family: 'Courier New', courier, monaco, monospace, sans-serif; font-style: normal; background-color: transparent;">with regards</div><div class="" style="color: rgb(0, 0, 0); font-size: 19.09090805053711px; font-family: 'Courier New', courier, monaco, monospace, sans-serif; font-style: normal; background-color: transparent;">sikander</div><div class="" style=""><br class="" style=""></div><div class="" style=""><br class="" style=""></div></div></body></html>