<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">Dear WIEN2k authors and users</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">I’m trying to calculate the effect of the external magnetic filed on the electronic structure of my case.</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">I follow section 7.2 of the users guide and apply the 60 T external magnetic field on the gamma-Ce as test with these input files for the orb program:</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">[yazdani@cm4 test2]$ cat test2.inorb </font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">3<span style> </span>1<span style> </span>0<span style> </span>nmod, natorb, ipr</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">PRATT<span style> </span>1.0<span style> </span>BROYD/PRATT, mixing</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">1 1 3<span style> </span>iatom nlorb, lorb</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">60.</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">0. 0. 1.</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">[yazdani@cm4 test2]$</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">[yazdani@cm4 test2]$ cat test2.indm</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">-9.<span style> </span>Emin cutoff energy</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri"><span style> </span>1<span style> </span>number of atoms for which density matrix is calculated</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri"><span style> </span>1<span style> </span>1<span style> </span>3<span style> </span>index of 1st atom, number of L's, L1</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri"><span style> </span>0 0<span style> </span>r-index, (l,s)index<span style> </span></font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">[yazdani@cm4 test2]$</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">And the section of the <span style> </span>log:</font></span></p>
<p style="TEXT-ALIGN:center;MARGIN:0in 0in 10pt" class="MsoNormal" align="center"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">><span style> </span>(runsp_lapw) options: -p -i 400 -in1ef -orb -cc 0.0001</font></span></p>
<p style="TEXT-ALIGN:center;MARGIN:0in 0in 10pt" class="MsoNormal" align="center"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">Mon Jan<span style> </span>2 05:14:02 IRST 2006> (x) lapw0 -p</font></span></p>
<p style="TEXT-ALIGN:center;MARGIN:0in 0in 10pt" class="MsoNormal" align="center"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">Mon Jan<span style> </span>2 05:14:06 IRST 2006> (x) lapw1 -up -p -orb</font></span></p>
<p style="TEXT-ALIGN:center;MARGIN:0in 0in 10pt" class="MsoNormal" align="center"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">Mon Jan<span style> </span>2 05:14:08 IRST 2006> (x) lapw1 -dn -p -orb</font></span></p>
<p style="TEXT-ALIGN:center;MARGIN:0in 0in 10pt" class="MsoNormal" align="center"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">Mon Jan<span style> </span>2 05:14:09 IRST 2006> (x) lapw2 -up -p</font></span></p>
<p style="TEXT-ALIGN:center;MARGIN:0in 0in 10pt" class="MsoNormal" align="center"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">Mon Jan<span style> </span>2 05:14:10 IRST 2006> (x) lapw2 -dn -p</font></span></p>
<p style="TEXT-ALIGN:center;MARGIN:0in 0in 10pt" class="MsoNormal" align="center"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">Mon Jan<span style> </span>2 05:14:11 IRST 2006> (x) lapwdm -up -p</font></span></p>
<p style="TEXT-ALIGN:center;MARGIN:0in 0in 10pt" class="MsoNormal" align="center"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">Mon Jan<span style> </span>2 05:14:11 IRST 2006> (x) lapwdm -dn -p</font></span></p>
<p style="TEXT-ALIGN:center;MARGIN:0in 0in 10pt" class="MsoNormal" align="center"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">Mon Jan<span style> </span>2 05:14:12 IRST 2006> (x) lcore -up</font></span></p>
<p style="TEXT-ALIGN:center;MARGIN:0in 0in 10pt" class="MsoNormal" align="center"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">Mon Jan<span style> </span>2 05:14:12 IRST 2006> (x) lcore -dn</font></span></p>
<p style="TEXT-ALIGN:center;MARGIN:0in 0in 10pt" class="MsoNormal" align="center"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">Mon Jan<span style> </span>2 05:14:12 IRST 2006> (x) mixer -orb</font></span></p>
<p style="TEXT-ALIGN:center;MARGIN:0in 0in 10pt" class="MsoNormal" align="center"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">[yazdani@cm4 test2]$</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">output files of the orb are:</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri"><span style> </span>[yazdani@cm4 test2]$ cat test2.outputorbup </font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri"><span style> </span>Calculation of orbital potential for spin block: up<span style> </span></font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri"><span style> </span>Type of potential:<span style> </span>Interaction with Bext<span style> </span></font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri"><span style> </span>Vorb applied to atom<span style> </span>1 orbit. numbers<span style> </span>3</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri"><span style> </span>end of OP input</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri"><span style> </span>Bext=<span style> </span>60.00000 T; muB*Bext= 0.25526E-03 Ry</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri"><span style> </span>STRUCT file read</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri"> </font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri"><span style> </span>Bext in global crystal system<span style> </span>0.00000<span style> </span>0.00000<span style> </span>1.00000</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri"><span style> </span>angles in global orthogonal system (M,z)=<span style> </span>0.000 (M,x)=<span style> </span>0.000 deg</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri"> </font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri"><span style> </span>natom<span style> </span>1</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri"><span style> </span>No old potential found</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri"> </font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri"><span style> </span>Bext in local orthogonal system<span style> </span>0.00000<span style> </span>0.00000<span style> </span>1.00000</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri"><span style> </span>angle (M,zloc)=<span style> </span>0.000 angle (M,xloc)=<span style> </span>0.000 deg</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri"> </font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri"><span style> </span></font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri"><span style> </span>Atom<span style> </span>1<span style> </span>spin up<span style> </span>potential real part (Ry)</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">:VORBr<span style> </span>1_ 1<span style> </span>M= -3<span style> </span>0.00077<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">:VORBr<span style> </span>1_ 1<span style> </span>M= -2<span style> </span>0.00000<span style> </span>0.00051<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">:VORBr<span style> </span>1_ 1<span style> </span>M= -1<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00026<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">:VORBr<span style> </span>1_ 1<span style> </span>M=<span style> </span>0<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">:VORBr<span style> </span>1_ 1<span style> </span>M=<span style> </span>1<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>-0.00026<span style> </span>0.00000<span style> </span>0.00000</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">:VORBr<span style> </span>1_ 1<span style> </span>M=<span style> </span>2<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>-0.00051<span style> </span>0.00000</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">:VORBr<span style> </span>1_ 1<span style> </span>M=<span style> </span>3<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>-0.00077</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri"><span style> </span></font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri"><span style> </span>Potential imaginary part (Ry)</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">:VORBi<span style> </span>1_ 1<span style> </span>M= -3<span style> </span>0.00000<span style> </span>0.00000<span style> </span><span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">:VORBi<span style> </span>1_ 1<span style> </span>M= -2<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">:VORBi<span style> </span>1_ 1<span style> </span>M= -1<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">:VORBi<span style> </span>1_ 1<span style> </span>M=<span style> </span>0<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">:VORBi<span style> </span>1_ 1<span style> </span>M=<span style> </span>1<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">:VORBi<span style> </span>1_ 1<span style> </span>M=<span style> </span>2<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">:VORBi<span style> </span>1_ 1<span style> </span>M=<span style> </span>3<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">[yazdani@cm4 test2]$</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">[yazdani@cm4 test2]$ cat test2.outputorbdn</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri"><span style> </span>Calculation of orbital potential for spin block: down</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri"><span style> </span>Type of potential:<span style> </span>Interaction with Bext <span style> </span></font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri"><span style> </span>Vorb applied to atom<span style> </span>1 orbit. numbers<span style> </span>3</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri"><span style> </span>end of OP input</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri"><span style> </span>Bext=<span style> </span>60.00000 T; muB*Bext= 0.25526E-03 Ry</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri"><span style> </span>STRUCT file read</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri"> </font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri"><span style> </span>Bext in global crystal system<span style> </span>0.00000<span style> </span>0.00000<span style> </span>1.00000</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri"><span style> </span>angles in global orthogonal system (M,z)=<span style> </span>0.000 (M,x)=<span style> </span>0.000 deg</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri"> </font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri"><span style> </span>natom<span style> </span>1</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri"><span style> </span>No old potential found</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri"> </font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri"><span style> </span>Bext in local orthogonal system<span style> </span>0.00000<span style> </span>0.00000<span style> </span>1.00000</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri"><span style> </span>angle (M,zloc)=<span style> </span>0.000 angle (M,xloc)=<span style> </span>0.000 deg</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri"> </font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri"><span style> </span></font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri"><span style> </span>Atom<span style> </span>1<span style> </span>spin down potential real part (Ry)</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">:VORBr<span style> </span>1_-1<span style> </span>M= -3<span style> </span>0.00077<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">:VORBr<span style> </span>1_-1<span style> </span>M= -2<span style> </span>0.00000<span style> </span>0.00051<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">:VORBr<span style> </span>1_-1<span style> </span>M= -1<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00026<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">:VORBr<span style> </span>1_-1<span style> </span>M=<span style> </span>0<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">:VORBr<span style> </span>1_-1<span style> </span>M=<span style> </span>1<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>-0.00026<span style> </span>0.00000<span style> </span>0.00000</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">:VORBr<span style> </span>1_-1<span style> </span>M=<span style> </span>2<span style> </span><span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>-0.00051<span style> </span>0.00000</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">:VORBr<span style> </span>1_-1<span style> </span>M=<span style> </span>3<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>-0.00077</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri"><span style> </span></font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri"><span style> </span>Potential imaginary part (Ry)</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">:VORBi<span style> </span>1_-1<span style> </span>M= -3<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span><span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">:VORBi<span style> </span>1_-1<span style> </span>M= -2<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">:VORBi<span style> </span>1_-1<span style> </span>M= -1<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">:VORBi<span style> </span>1_-1<span style> </span>M=<span style> </span>0<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">:VORBi<span style> </span>1_-1<span style> </span>M=<span style> </span>1<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">:VORBi<span style> </span>1_-1<span style> </span>M=<span style> </span>2<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">:VORBi<span style> </span>1_-1<span style> </span>M=<span style> </span>3<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000<span style> </span>0.00000</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">[yazdani@cm4 test2]$</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">But I see no difference between the results in the absence and presence of the magnetic filed. </font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">What is the problem?</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">Thanking you</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">M. Yazdani</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">Majid Yazdani Kachoei,</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">Department of Physics, Faculty of Science,</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">University of Isfahan (UI), Hezar Gerib Avenue,</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri">81744 Isfahan, Iran.</font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri"> </font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri"> </font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri"> </font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri"> </font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri"> </font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri"> </font></span></p>
<p style="MARGIN:0in 0in 10pt" class="MsoNormal"><span style="LINE-HEIGHT:115%;FONT-SIZE:10pt"><font face="Calibri"> </font></span></p>