<div dir="ltr"><div class="gmail_default" style="font-family:verdana,sans-serif;color:#000000">Here is a procedure:</div><div class="gmail_default" style="font-family:verdana,sans-serif;color:#000000">1) Work out how to create a structure appropriately ordered the way you want along the appropriate direction.</div><div class="gmail_default" style="font-family:verdana,sans-serif;color:#000000">2)  Check the structure using a visualization code, and also check the magnetism is what you want.</div><div class="gmail_default" style="font-family:verdana,sans-serif;color:#000000"><span style="font-family:verdana,sans-serif">3) Label in the case.struct file the atoms, for instance as Ni1 and Ni2 for the "Up" and "Dn" spins respectively.</span></div><div class="gmail_default" style="font-family:verdana,sans-serif;color:#000000">4) During the initialization, appropriately pick during instgen_lapw your Ni1 to be Up etc</div><div class="gmail_default" style="font-family:verdana,sans-serif;color:#000000">5) As appropriate, pick other atoms to be non-magnetic.</div><div class="gmail_default" style="font-family:verdana,sans-serif;color:#000000">6) Run, hoping that you have done it right. Check how the magnetism changes from the case.scfm file.</div><div class="gmail_default" style="font-family:verdana,sans-serif;color:#000000"><br></div><div class="gmail_default" style="font-family:verdana,sans-serif;color:#000000">You will note that I have not given you a true "procedure". Wien2k is a research tool, and people on the listserv are not paid to provide you with recipes for you to follow. Of course many people will provide you with a recipe if you pay them. Maybe <span style="font-family:Arial,Helvetica,sans-serif;font-size:small;color:rgb(34,34,34)">Dr Delamora will provide this to you for free, although I would not encourage this.</span></div><div class="gmail_default" style="font-family:verdana,sans-serif;color:#000000"><span style="font-family:Arial,Helvetica,sans-serif;font-size:small;color:rgb(34,34,34)"><br></span></div><div class="gmail_default" style="font-family:verdana,sans-serif;color:#000000"><span style="font-family:Arial,Helvetica,sans-serif;font-size:small;color:rgb(34,34,34)">Asking for a "procedure" is really not appropriate for this list in my opinion.</span></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Sat, Feb 8, 2020 at 12:09 PM Abderrahmane Reggad <<a href="mailto:abde.reggad@gmail.com">abde.reggad@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr"><div class="gmail_default" style="font-family:"comic sans ms",sans-serif;font-size:small">Hello wien users</div><div class="gmail_default" style="font-family:"comic sans ms",sans-serif;font-size:small"><br></div><div class="gmail_default" style="font-family:"comic sans ms",sans-serif;font-size:small">In a previous message Dr delamora have given me the procedure to create the magnetic structure of NiO in the 111 plane (afm II) as in the following link: <a href="https://urldefense.proofpoint.com/v2/url?u=https-3A__www.mail-2Darchive.com_wien-40zeus.theochem.tuwien.ac.at_msg11519.html&d=DwMFaQ&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=mnXQDe2DP5u1EVceElbxDqzJSZMJf8Lq6StRzcSxckc&s=odnogCeJHxQWmWFG2ooyiDqSVM3mq5D3ya9qetHrO0E&e=" target="_blank">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg11519.html</a></div><div class="gmail_default" style="font-family:"comic sans ms",sans-serif;font-size:small"><br></div><div class="gmail_default" style="font-family:"comic sans ms",sans-serif;font-size:small">Now I want to create a magnetic structure in the 110 plane (afm III) for compounds like NiO in the NaCl structure.</div><div class="gmail_default" style="font-family:"comic sans ms",sans-serif;font-size:small"><br></div><div class="gmail_default" style="font-family:"comic sans ms",sans-serif;font-size:small">I need the procedure to it <br clear="all"></div><br>-- <br><div dir="ltr"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div><span style="color:rgb(92,92,92);font-family:Arial,Helvetica,"Lucida Sans Unicode","Microsoft Sans Serif","Segoe UI Symbol",STIXGeneral,"Cambria Math","Arial Unicode MS",sans-serif;font-size:13px;font-style:normal;font-weight:400;letter-spacing:normal;text-align:left;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;background-color:rgb(255,255,255);display:inline;float:none">Dr. Abderrahmane Reggad<br>Engineering Physics Laboratory</span></div><span style="color:rgb(92,92,92);font-family:Arial,Helvetica,"Lucida Sans Unicode","Microsoft Sans Serif","Segoe UI Symbol",STIXGeneral,"Cambria Math","Arial Unicode MS",sans-serif;font-size:13px;font-style:normal;font-weight:400;letter-spacing:normal;text-align:left;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;background-color:rgb(255,255,255);display:inline;float:none"><span></span>Faculty of Material Sciences, Ibn Khaldoun University, Tiaret, 14000, Algeria</span></div>Tel: +213(0)561861963 - Algeria<br></div></div></div></div></div></div></div>
_______________________________________________<br>
Wien mailing list<br>
<a href="mailto:Wien@zeus.theochem.tuwien.ac.at" target="_blank">Wien@zeus.theochem.tuwien.ac.at</a><br>
<a href="https://urldefense.proofpoint.com/v2/url?u=http-3A__zeus.theochem.tuwien.ac.at_mailman_listinfo_wien&d=DwICAg&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=mnXQDe2DP5u1EVceElbxDqzJSZMJf8Lq6StRzcSxckc&s=jtdnxmx90Q4XHGIYTBX3l9IdK_-XgWVlxZveYTEtMhQ&e=" rel="noreferrer" target="_blank">https://urldefense.proofpoint.com/v2/url?u=http-3A__zeus.theochem.tuwien.ac.at_mailman_listinfo_wien&d=DwICAg&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=mnXQDe2DP5u1EVceElbxDqzJSZMJf8Lq6StRzcSxckc&s=jtdnxmx90Q4XHGIYTBX3l9IdK_-XgWVlxZveYTEtMhQ&e=</a> <br>
SEARCH the MAILING-LIST at:  <a href="https://urldefense.proofpoint.com/v2/url?u=http-3A__www.mail-2Darchive.com_wien-40zeus.theochem.tuwien.ac.at_index.html&d=DwICAg&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=mnXQDe2DP5u1EVceElbxDqzJSZMJf8Lq6StRzcSxckc&s=O8ucK-0PMifUhVd5LGlPxemd5Cb-w3EY0I3t11_iBis&e=" rel="noreferrer" target="_blank">https://urldefense.proofpoint.com/v2/url?u=http-3A__www.mail-2Darchive.com_wien-40zeus.theochem.tuwien.ac.at_index.html&d=DwICAg&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=mnXQDe2DP5u1EVceElbxDqzJSZMJf8Lq6StRzcSxckc&s=O8ucK-0PMifUhVd5LGlPxemd5Cb-w3EY0I3t11_iBis&e=</a> <br>
</blockquote></div><br clear="all"><div><br></div>-- <br><div dir="ltr" class="gmail_signature"><div dir="ltr">Professor Laurence Marks<br>Department of Materials Science and Engineering<br>Northwestern University<br><a href="http://www.numis.northwestern.edu/" target="_blank">www.numis.northwestern.edu</a><div>Corrosion in 4D: <a href="http://www.numis.northwestern.edu/MURI" target="_blank">www.numis.northwestern.edu/MURI</a><br>Co-Editor, Acta Cryst A<br>"Research is to see what everybody else has seen, and to think what nobody else has thought"<br>Albert Szent-Gyorgi</div></div></div>