<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt"><div><span>Dear sir, using wien2k in windows xp might be reported earlier, but to me this is the first time. How did you install? Would you please let me know all the steps you have done?</span></div><div>Yours sincerely</div><div>Jameson Maibam</div><div><br></div> <div style="font-family: times new roman, new york, times, serif; font-size: 12pt;"> <div style="font-family: times new roman, new york, times, serif; font-size: 12pt;"> <div dir="ltr"> <font size="2" face="Arial"> <div style="margin: 5px 0px; padding: 0px; border: 1px solid rgb(204, 204, 204); height: 0px; line-height: 0; font-size: 0px;" class="hr" contentEditable="false" readonly="true"></div> <b><span style="font-weight: bold;">From:</span></b> Viktor Zano <zanov@post.bgu.ac.il><br> <b><span style="font-weight: bold;">To:</span></b> Wien2k mailing list
<wien@zeus.theochem.tuwien.ac.at> <br> <b><span style="font-weight: bold;">Sent:</span></b> Sunday, 12 August 2012 2:54 PM<br> <b><span style="font-weight: bold;">Subject:</span></b> [Wien] configure input file for TETRA<br> </font> </div> <br><div id="yiv477533188"><div dir="ltr"><div class="yiv477533188gmail_quote">Dear Wien2k users<br><div dir="rtl"><div dir="ltr">I'm using Wien2k_10.1 on windows XP.</div><div dir="ltr">I trying to re-calculate DOS for a structure and it seems that the "configure *.int" button doesn't work, meaning that I can't have a command line to choose the right DOS-cases (orbitals). In fact I got a message "configure_int needs input". </div>
<div dir="ltr">I tried to recalculate DOS of other structures and of a simple structure (TiC) and got the same note.</div><div dir="ltr">Of course I can edit it manually (which works fine), but I do not know all the codes (for example "1" "1" stand for "1st atom" " S orbital"). Where can I get a full list of the orbitals (I mainly look for different f orbitals in cubic system). I didn't find it in the useguide!</div>
<div dir="ltr">How can I fix that
"configure *.int" button ?</div><div dir="ltr">Thanks<br><br></div></div>
</div></div>
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