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<div class="moz-cite-prefix">You have a very nice explanation in the
USERGUIDE at the LAPW1 section. <br>
RKMAX is the product between the smallest RMT in your case.struct
file and KMAX (plane wave basis set). <br>
If you have a standard structure (without hydrogen atoms or small
atoms) RKMAX = 7 is fine in general. <br>
If you have hydrogen atoms, i.e. small RMT ... thus RKMAX must be
reduced to values of about 3-4 ...<br>
Look at the userguide you will have all these explanations and
more. <br>
<br>
Regards<br>
<br>
Xavier<br>
<br>
<br>
<br>
Le 10/12/2013 9:54 AM, kalsoom Khan a écrit :<br>
</div>
<blockquote
cite="mid:1381564457.53819.YahooMailNeo@web163106.mail.bf1.yahoo.com"
type="cite">
<div style="color:#000; background-color:#fff;
font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial,
Lucida Grande, sans-serif;font-size:12pt">
<div>Dear All </div>
<div>please help me that what the <span style="font-family:
'Times New Roman'; font-size: 12pt;">parameter RMTKMAX mean?
And why this </span><span style="font-size: 12pt;
font-family: 'Times New Roman';">parameter RMTKMAX is equall
to 7?</span></div>
<div style="color: rgb(0, 0, 0); font-size: 12pt; font-family:
'Times New Roman'; background-color: transparent; font-style:
normal;"><span style="font-size: 12pt; font-family: 'Times New
Roman';">with regards</span></div>
<div style="color: rgb(0, 0, 0); font-size: 12pt; font-family:
'Times New Roman'; background-color: transparent; font-style:
normal;"><span style="font-size: 12pt; font-family: 'Times New
Roman';">Kalsoom khan<br>
</span><span style="font-size: 12pt; font-family: 'Times New
Roman';"> </span></div>
</div>
<br>
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