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<title>Re: [Wien] Using the -in1ef switch for phonon calculations</title>
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<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
11.0pt'>Please see the website by <st2:PersonName w:st="on"><st1:title w:st="on">Prof.</st1:title>
<st1:Sn w:st="on">Parlinski</st1:Sn></st2:PersonName> on the phonon software<o:p></o:p></span></font></p>
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<p class=MsoNormal><b><font size=2 face=Tahoma><span style='font-size:10.0pt;
font-family:Tahoma;font-weight:bold'>From:</span></font></b><font size=2
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wien-bounces@zeus.theochem.tuwien.ac.at
[mailto:wien-bounces@zeus.theochem.tuwien.ac.at] <b><span style='font-weight:
bold'>On Behalf Of </span></b>puday@iitk.ac.in<br>
<b><span style='font-weight:bold'>Sent:</span></b> Tuesday, January 04, 2011
4:33 PM<br>
<b><span style='font-weight:bold'>To:</span></b> <st2:PersonName w:st="on"><st1:GivenName
w:st="on">A</st1:GivenName> <st1:middlename w:st="on">Mailing list</st1:middlename>
<st1:middlename w:st="on">for</st1:middlename> <st1:middlename w:st="on">WIEN2k</st1:middlename>
<st1:Sn w:st="on">users</st1:Sn></st2:PersonName><br>
<b><span style='font-weight:bold'>Subject:</span></b> Re: [<st1:Sn w:st="on">Wien</st1:Sn>]
Using the -in1ef switch for phonon calculations</span></font><o:p></o:p></p>
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<p><font size=2 face="Times New Roman"><span style='font-size:10.0pt'>Dear
Suddhasattwa and WIEN2K users,<br>
I have also started calculation using phonon with WIEN2K input files.Is<br>
there any user guide manual for PHONON calculation?Because in the WIEN2K<br>
manual the information about the phonon is very less.<br>
<br>
Regards,<br>
Uday<br>
Dept.of Physics<br>
IIT <st2:City w:st="on"><st2:place w:st="on">Kanpur</st2:place></st2:City><br>
<br>
<br>
> Dear Dr.Blaha and Wien2k users,<br>
><br>
> The case.in1 file for each structure generated in phonon calculations has<br>
> a<br>
> default linearization energy of 0.30. Can we use the -in1ef switch to<br>
> avoid<br>
> any warning messages<br>
><br>
> So , can we put in the run_phonon script<br>
><br>
> Run_lapw -I -i 200 -in1ef -cc 0.0001 -fc 0.1 -p<br>
><br>
><br>
><br>
> Thanks<br>
><br>
> Suddhasattwa<br>
><br>
><br>
><br>
> _______________________________________________<br>
> <st1:Sn w:st="on">Wien</st1:Sn> mailing list<br>
> Wien@zeus.theochem.tuwien.ac.at<br>
> <a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br>
><br>
<br>
<br>
<br>
_______________________________________________<br>
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Wien@zeus.theochem.tuwien.ac.at<br>
<a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a></span></font>
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