<DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN><FONT size=3><FONT face="Times New Roman">Dear Stefaan, Georg, Florent, and Laurence,</FONT></FONT></SPAN></DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN><FONT size=3><FONT face="Times New Roman">Thank you for your contributions and suggestions. I would report back to the list now. I changed the eval in *.in2 to 0.1 according to Florent's suggestion as follows:</FONT></FONT></SPAN></DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN><FONT face="Times New Roman" size=3></FONT></SPAN> </DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><FONT size=3><FONT face="Times New
Roman"><SPAN>TOT<SPAN> </SPAN>(TOT,FOR,QTL,EFG,FERMI)</SPAN><SPAN lang=FA dir=rtl></SPAN></FONT></FONT></DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN dir=ltr></SPAN><SPAN><SPAN dir=ltr></SPAN><FONT size=3><FONT face="Times New Roman"><SPAN> </SPAN>-9.0<SPAN> </SPAN>80.0 0.50 0.05<SPAN> </SPAN>EMIN , NE , ESEPERMIN, ESEPER0</FONT></FONT></SPAN><SPAN lang=FA dir=rtl></SPAN></DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><FONT size=3><FONT face="Times New Roman"><SPAN>GAUSS<SPAN> </SPAN>0.1
<SPAN> </SPAN>(GAUSS,ROOT,TEMP,TETRA,ALL<SPAN> </SPAN>eval)</SPAN><SPAN lang=FA dir=rtl></SPAN></FONT></FONT></DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN><FONT face="Times New Roman" size=3></FONT></SPAN> </DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN><FONT size=3><FONT face="Times New Roman">And used the in1new 3 just to check whether the jump in DIS is occurred in the 4th <SPAN> </SPAN>cycle or not. It appears that reducing the smearing of the Gaussian method of calculating Fermi energy postpone the jump by only one cycle more. But it could not cause to be disappeared the jump on :DIS completely to reach to a stable convergence. The result is as follows:</FONT></FONT></SPAN></DIV> <DIV class=MsoNormal dir=ltr
style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN><FONT face="Times New Roman" size=3></FONT></SPAN> </DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN><FONT size=3><FONT face="Times New Roman">**<SPAN> </SPAN>testerror: Error in Parallel LAPW2</FONT></FONT></SPAN></DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN><FONT size=3><FONT face="Times New Roman">'l2main' - QTL-B.GT.15., Ghostbands, check scf files</FONT></FONT></SPAN></DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN><FONT size=3><FONT face="Times New Roman">'l2main' - QTL-B.GT.15., Ghostbands, check scf files</FONT></FONT></SPAN></DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN:
left"><SPAN><FONT face="Times New Roman" size=3></FONT></SPAN> </DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><FONT size=3><FONT face="Times New Roman"><SPAN>:DIS<SPAN> </SPAN>:<SPAN> </SPAN>CHARGE DISTANCE<SPAN> </SPAN>0.1735704</SPAN><SPAN lang=FA dir=rtl></SPAN></FONT></FONT></DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN dir=ltr></SPAN><SPAN><SPAN dir=ltr></SPAN><FONT face="Times New Roman" size=3>:DIS<SPAN> </SPAN>:<SPAN> </SPAN>CHARGE DISTANCE<SPAN> </SPAN>0.1532537</FONT></SPAN><SPAN lang=FA dir=rtl></SPAN></DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN dir=ltr></SPAN><SPAN><SPAN dir=ltr></SPAN><FONT face="Times New Roman"
size=3>:DIS<SPAN> </SPAN>:<SPAN> </SPAN>CHARGE DISTANCE<SPAN> </SPAN>0.8629821</FONT></SPAN><SPAN lang=FA dir=rtl></SPAN></DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN dir=ltr></SPAN><SPAN><SPAN dir=ltr></SPAN><FONT face="Times New Roman" size=3>:DIS<SPAN> </SPAN>:<SPAN> </SPAN>CHARGE DISTANCE<SPAN> </SPAN>0.5734159</FONT></SPAN><SPAN lang=FA dir=rtl></SPAN></DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN dir=ltr></SPAN><SPAN><SPAN dir=ltr></SPAN><FONT face="Times New Roman" size=3>:DIS<SPAN> </SPAN>:<SPAN> </SPAN>CHARGE DISTANCE<SPAN> </SPAN>1.5234070</FONT></SPAN><SPAN lang=FA dir=rtl></SPAN></DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr;
unicode-bidi: embed; TEXT-ALIGN: left"><SPAN dir=ltr></SPAN><SPAN><SPAN dir=ltr></SPAN><FONT face="Times New Roman" size=3>:DIS<SPAN> </SPAN>:<SPAN> </SPAN>CHARGE DISTANCE<SPAN> </SPAN>1.9057531</FONT></SPAN><SPAN lang=FA dir=rtl></SPAN></DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN dir=ltr></SPAN><SPAN><SPAN dir=ltr></SPAN><FONT size=3><FONT face="Times New Roman">:DIS<SPAN> </SPAN>:<SPAN> </SPAN>CHARGE DISTANCE<SPAN> </SPAN>2.2626862</FONT></FONT></SPAN></DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN><FONT face="Times New Roman" size=3></FONT></SPAN> </DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN><FONT size=3><FONT face="Times New Roman">So
at this point, I changed according to Laurence's suggestion the mixing parameter in *.inm to 0.1 and ran the scf from scratch using suggested commands:</FONT></FONT></SPAN></DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN><FONT size=3><FONT face="Times New Roman">run_lapw –cc 0.025 –ec 0.025 –in1orig</FONT></FONT></SPAN></DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN><FONT size=3><FONT face="Times New Roman">run_lapw –cc 0.00001 –ec 0.00001 –in1new 1 –NI –i 99</FONT></FONT></SPAN></DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN><FONT size=3><FONT face="Times New Roman"><SPAN>The results are as follows: </SPAN></FONT></FONT></SPAN></DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed;
TEXT-ALIGN: left"><SPAN><FONT face="Times New Roman" size=3></FONT></SPAN></DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN><FONT size=3><FONT face="Times New Roman"></FONT></FONT></SPAN> </DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><FONT size=3><FONT face="Times New Roman"><SPAN>:DIS<SPAN> </SPAN>:<SPAN> </SPAN>CHARGE DISTANCE<SPAN> </SPAN>0.1786970</SPAN><SPAN lang=FA dir=rtl></SPAN></FONT></FONT></DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN dir=ltr></SPAN><SPAN><SPAN dir=ltr></SPAN><FONT face="Times New Roman" size=3>:DIS<SPAN> </SPAN>:<SPAN> </SPAN>CHARGE DISTANCE<SPAN> </SPAN>0.1677096</FONT></SPAN><SPAN lang=FA dir=rtl></SPAN></DIV> <DIV
class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN dir=ltr></SPAN><SPAN><SPAN dir=ltr></SPAN><FONT face="Times New Roman" size=3>:DIS<SPAN> </SPAN>:<SPAN> </SPAN>CHARGE DISTANCE<SPAN> </SPAN>0.0550953</FONT></SPAN><SPAN lang=FA dir=rtl></SPAN></DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN dir=ltr></SPAN><SPAN><SPAN dir=ltr></SPAN><FONT face="Times New Roman" size=3>:DIS<SPAN> </SPAN>:<SPAN> </SPAN>CHARGE DISTANCE<SPAN> </SPAN>0.0383360</FONT></SPAN><SPAN lang=FA dir=rtl></SPAN></DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN dir=ltr></SPAN><SPAN><SPAN dir=ltr></SPAN><FONT face="Times New Roman" size=3>:DIS<SPAN> </SPAN>:<SPAN> </SPAN>CHARGE
DISTANCE<SPAN> </SPAN>0.0243402</FONT></SPAN><SPAN lang=FA dir=rtl></SPAN></DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN dir=ltr></SPAN><SPAN><SPAN dir=ltr></SPAN><FONT face="Times New Roman" size=3>:DIS<SPAN> </SPAN>:<SPAN> </SPAN>CHARGE DISTANCE<SPAN> </SPAN>0.0202661</FONT></SPAN><SPAN lang=FA dir=rtl></SPAN></DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN dir=ltr></SPAN><SPAN><SPAN dir=ltr></SPAN><FONT face="Times New Roman" size=3>:DIS<SPAN> </SPAN>:<SPAN> </SPAN>CHARGE DISTANCE<SPAN> </SPAN>0.0165780</FONT></SPAN><SPAN lang=FA dir=rtl></SPAN></DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN
dir=ltr></SPAN><SPAN><SPAN dir=ltr></SPAN><FONT face="Times New Roman" size=3>:DIS<SPAN> </SPAN>:<SPAN> </SPAN>CHARGE DISTANCE<SPAN> </SPAN>0.0123664</FONT></SPAN><SPAN lang=FA dir=rtl></SPAN></DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN dir=ltr></SPAN><SPAN><SPAN dir=ltr></SPAN><FONT face="Times New Roman" size=3>:DIS<SPAN> </SPAN>:<SPAN> </SPAN>CHARGE DISTANCE<SPAN> </SPAN>0.0086933</FONT></SPAN><SPAN lang=FA dir=rtl></SPAN></DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN dir=ltr></SPAN><SPAN><SPAN dir=ltr></SPAN><FONT face="Times New Roman" size=3>:DIS<SPAN> </SPAN>:<SPAN> </SPAN>CHARGE DISTANCE<SPAN> </SPAN>0.0052818</FONT></SPAN><SPAN lang=FA dir=rtl></SPAN></DIV> <DIV
class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN dir=ltr></SPAN><SPAN><SPAN dir=ltr></SPAN><FONT face="Times New Roman" size=3>:DIS<SPAN> </SPAN>: <SPAN> </SPAN>CHARGE DISTANCE<SPAN> </SPAN>0.0043145</FONT></SPAN><SPAN lang=FA dir=rtl></SPAN></DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN dir=ltr></SPAN><SPAN><SPAN dir=ltr></SPAN><FONT face="Times New Roman" size=3>:DIS<SPAN> </SPAN>:<SPAN> </SPAN>CHARGE DISTANCE<SPAN> </SPAN>0.0028704</FONT></SPAN><SPAN lang=FA dir=rtl></SPAN></DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN dir=ltr></SPAN><SPAN><SPAN dir=ltr></SPAN><FONT face="Times New Roman" size=3>:DIS<SPAN> </SPAN>:<SPAN> </SPAN>CHARGE
DISTANCE<SPAN> </SPAN>0.0011820</FONT></SPAN><SPAN lang=FA dir=rtl></SPAN></DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN dir=ltr></SPAN><SPAN><SPAN dir=ltr></SPAN><FONT face="Times New Roman" size=3>:DIS<SPAN> </SPAN>:<SPAN> </SPAN>CHARGE DISTANCE<SPAN> </SPAN>0.0008102</FONT></SPAN><SPAN lang=FA dir=rtl></SPAN></DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN dir=ltr></SPAN><SPAN><SPAN dir=ltr></SPAN><FONT face="Times New Roman" size=3>:DIS<SPAN> </SPAN>:<SPAN> </SPAN>CHARGE DISTANCE<SPAN> </SPAN>0.0004644</FONT></SPAN><SPAN lang=FA dir=rtl></SPAN></DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN
dir=ltr></SPAN><SPAN><SPAN dir=ltr></SPAN><FONT face="Times New Roman" size=3>:DIS<SPAN> </SPAN>:<SPAN> </SPAN>CHARGE DISTANCE<SPAN> </SPAN>0.0003812</FONT></SPAN><SPAN lang=FA dir=rtl></SPAN></DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN dir=ltr></SPAN><SPAN><SPAN dir=ltr></SPAN><FONT face="Times New Roman" size=3>:DIS<SPAN> </SPAN>:<SPAN> </SPAN>CHARGE DISTANCE<SPAN> </SPAN>0.0001443</FONT></SPAN><SPAN lang=FA dir=rtl></SPAN></DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN dir=ltr></SPAN><SPAN><SPAN dir=ltr></SPAN><FONT face="Times New Roman" size=3>:DIS<SPAN> </SPAN>:<SPAN> </SPAN>CHARGE DISTANCE<SPAN> </SPAN>0.0001032</FONT></SPAN><SPAN lang=FA dir=rtl></SPAN></DIV> <DIV
class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN dir=ltr></SPAN><SPAN><SPAN dir=ltr></SPAN><FONT face="Times New Roman" size=3>:DIS<SPAN> </SPAN>:<SPAN> </SPAN>CHARGE DISTANCE<SPAN> </SPAN>0.0000458</FONT></SPAN><SPAN lang=FA dir=rtl></SPAN></DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN dir=ltr></SPAN><SPAN><SPAN dir=ltr></SPAN><FONT face="Times New Roman" size=3>:DIS<SPAN> </SPAN>:<SPAN> </SPAN>CHARGE DISTANCE<SPAN> </SPAN>0.0000407</FONT></SPAN><SPAN lang=FA dir=rtl></SPAN></DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN dir=ltr></SPAN><SPAN><SPAN dir=ltr></SPAN><FONT face="Times New Roman" size=3>:DIS<SPAN> </SPAN>:<SPAN> </SPAN>CHARGE
DISTANCE<SPAN> </SPAN>0.0000254</FONT></SPAN><SPAN lang=FA dir=rtl></SPAN></DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN dir=ltr></SPAN><SPAN><SPAN dir=ltr></SPAN><FONT face="Times New Roman" size=3>:DIS<SPAN> </SPAN>:<SPAN> </SPAN>CHARGE DISTANCE<SPAN> </SPAN>0.0000129</FONT></SPAN><SPAN lang=FA dir=rtl></SPAN></DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN dir=ltr></SPAN><SPAN><SPAN dir=ltr></SPAN><FONT face="Times New Roman" size=3>:DIS<SPAN> </SPAN>:<SPAN> </SPAN>CHARGE DISTANCE<SPAN> </SPAN><SPAN> </SPAN>0.0000124</FONT></SPAN><SPAN lang=FA dir=rtl></SPAN></DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN
dir=ltr></SPAN><SPAN><SPAN dir=ltr></SPAN><FONT face="Times New Roman" size=3>:DIS<SPAN> </SPAN>:<SPAN> </SPAN>CHARGE DISTANCE<SPAN> </SPAN>0.0000087</FONT></SPAN><SPAN lang=FA dir=rtl></SPAN></DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN dir=ltr></SPAN><SPAN><SPAN dir=ltr></SPAN><FONT size=3><FONT face="Times New Roman">:DIS<SPAN> </SPAN>:<SPAN> </SPAN>CHARGE DISTANCE<SPAN> </SPAN>0.0000053</FONT></FONT></SPAN></DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN><FONT face="Times New Roman" size=3></FONT></SPAN> </DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN><FONT size=3><FONT face="Times New Roman">So it looks that the Laurence’s an Georg's
suggestions could successfully solve the problem. </FONT></FONT></SPAN></DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN><FONT face="Times New Roman" size=3></FONT></SPAN> </DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN><FONT size=3><FONT face="Times New Roman">Our calculation to check the Stefaan’s suggestion is still running, as we have increased the number of k-points from 16x16x1 to 25x25x2. We will report the result as soon as our calculations are finished.</FONT></FONT></SPAN></DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN><FONT face="Times New Roman" size=3></FONT></SPAN> </DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN><FONT size=3><FONT face="Times
New Roman">Thank you again,</FONT></FONT></SPAN></DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN><FONT size=3><FONT face="Times New Roman">Your,</FONT></FONT></SPAN></DIV> <DIV class=MsoNormal dir=ltr style="MARGIN: 0in 0in 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><SPAN><FONT face="Times New Roman" size=3>Moretza Rafiee.</FONT></SPAN><SPAN lang=FA dir=rtl></SPAN></DIV><p> 
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