<DIV>Dear Kevin,</DIV>
<DIV> </DIV>
<DIV>Thanks a lot. Yes, it is described in the paragraph regarding to lapw2.</DIV>
<DIV> </DIV>
<DIV>Best,</DIV>
<DIV> </DIV>
<DIV>Stargmoon<BR><BR><B><I>Jorissen Kevin <Kevin.Jorissen@ua.ac.be></I></B> wrote:</DIV>
<BLOCKQUOTE class=replbq style="PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: #1010ff 2px solid">Yes, it means L goes up to 8.<BR>Symmetry does not generate them ; you just add them manually to case.in2.<BR>The terms you have to add, will in general be different for positions of different local symmetry (as in the list up to 6).<BR>I believe that the necessary terms are listed in the User's guide for several symmetries.<BR>I'm not sure where, but in the lapw2-section (where case.in2 is described) would be my first guess.<BR><BR><BR>Kevin Jorissen<BR><BR>EMAT - Electron Microscopy for Materials Science (http://webhost.ua.ac.be/emat/)<BR>Dept. of Physics<BR><BR>UA - Universiteit Antwerpen<BR>Groenenborgerlaan 171<BR>B-2020 Antwerpen<BR>Belgium<BR><BR>tel +32 3 2653249<BR>fax + 32 3 2653257<BR>e-mail kevin.jorissen@ua.ac.be<BR><BR><BR>________________________________<BR><BR>Van: wien-admin@zeus.theochem.tuwien.ac.at namens stargmoon<BR>Verzonden: vr 14-1-2005 21:51<BR>Aan:
Wien@zeus.theochem.tuwien.ac.at<BR>Onderwerp: [Wien] LMMAX<BR><BR><BR>Dear wien community,<BR><BR>According to the Wien2k manual, one may have to increase the default LM-list to LM=8 or 10 to get a "good" charge density. What does LM=8 mean? Does it mean that the angular quantum number L eqauls 8? Another question is coming, does the SYMMETRY subroutine can generate the LM list for me up to LM=8 or even higher?<BR><BR>Looking forward to your reply.<BR><BR>Best Regards,<BR><BR>Stargmoon <BR><BR>________________________________<BR><BR>Do you Yahoo!?<BR>The all-new My Yahoo! <HTTP: my.yahoo.com>- Get yours free! <BR><BR><BR>> ATTACHMENT part 2 application/ms-tnef name=winmail.dat<BR></BLOCKQUOTE><p>
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