<span class="Apple-style-span" style="font-family: Simsun; font-size: medium; "><pre>Dear Lyudmila Dobysheva,</pre><pre>Thank you for your advice.</pre><pre>It's my fault and I adopt your suggestion.</pre></span><span class="Apple-style-span" style="font-family: Simsun; font-size: medium; "><pre>
Fe.inso
---------------------------------------------------------------------------
WFFIL
4 1 0 llmax,ipr,kpot
-10.0000 1.50000 emin,emax (output energy window)
0. 0. 1. direction of magnetization (lattice vectors)
0 number of atoms for which RLO is added
0 0 0 0 0 number of atoms for which SO is switch off;
atoms
---------------------------------------------------------------------------</pre><pre><br></pre></span>-- <br>Bin Shao<br>College of Information Technical Science, Nankai University<br>94 Weijin Rd. Nankai Dist. Tianjin 300071, China<br>
Email: <a href="mailto:binshao1118@gmail.com">binshao1118@gmail.com</a><br>