<html><head></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">Dear Bipul, <div>Please also read the section "atomic species" in the documentation. You can have several different types that all use the same pp.</div><div> <br><div><div>On 17.May.2010, at 11:11, Bipul Rakshit wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite">Dear Baris,<br>thanks for your kind reply. I go through the "starting_magnetization" and the related documents. But with the help of that flag, we can specify the magnetic moment to particular type. But if u see the atomic co-ordinate i gave there i require the Mn1 spin up & down, and Mn2 spin up & down.<br>
<br>So that's i didnt understand how do i specify the spins for particular atoms not with particular type.<br><br><div class="gmail_quote">On Mon, May 17, 2010 at 1:21 PM, O. Baris Malcioglu <span dir="ltr"><<a href="mailto:baris.malcioglu@gmail.com">baris.malcioglu@gmail.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">Dear Bipul Rakshit,<br>
<br>
Please take a glance at "starting_magnetization" under the system<br>
namelist. You can find the relevant information in the supplied<br>
documentation directory.<br>
<br>
Best,<br>
Baris<br>
<br>
<br>
2010/5/17 Bipul Rakshit <<a href="mailto:bipulrr@gmail.com">bipulrr@gmail.com</a>>:<br>
<div><div></div><div class="h5">> Dear Users,<br>
> I am doing a system in which i have 8 Mn.<br>
> Following is the atomic positions in fractional co-ordinate.<br>
><br>
> Mn1 0.12500000000 0.25000000000 0.27940000000 +<br>
> Mn1 0.37500000000 0.75000000000 0.72060000000 +<br>
> Mn2 0.12500000000 0.25000000000 0.74860000000 -<br>
> Mn2 0.37500000000 0.75000000000 0.25140000000 -<br>
> Mn1 0.62500000000 0.25000000000 0.27940000000 -<br>
> Mn1 0.87500000000 0.75000000000 0.72060000000 -<br>
> Mn2 0.62500000000 0.25000000000 0.74860000000 +<br>
> Mn2 0.87500000000 0.75000000000 0.25140000000 +<br>
><br>
><br>
> Now i want to specify the spin as shown by the last column, (with + & -<br>
> signs).<br>
> So can you please tell me what flags i have to use to specify the magnetic<br>
> spin for particular atom.<br>
> --<br>
> Bipul Rakshit<br>
> Research Fellow,<br>
> S N Bose Centre for Basic Sciences,<br>
> Salt Lake,<br>
> Kolkata 700 098<br>
> India<br>
><br>
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</blockquote></div><br><br clear="all"><br>-- <br>Dr. Bipul Rakshit<br>Research Associate,<br>S N Bose Centre for Basic Sciences,<br>Salt Lake,<br>Kolkata 700 098<br>India<br>
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