<div dir="ltr">Dear Gavin,<div><br></div><div>       Thanks a lot!!!...It will be very helpful for us.</div><div><br></div><div>with regards,</div></div><div class="gmail_extra"><br><div class="gmail_quote">On Mon, Jun 15, 2015 at 8:48 PM, Gavin Abo <span dir="ltr"><<a href="mailto:gsabo@crimson.ua.edu" target="_blank">gsabo@crimson.ua.edu</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Below are reference links on H2 molecule calculations using WIEN2k:<br>
<br>
<a href="http://zeus.theochem.tuwien.ac.at/pipermail/wien/2003-October/000880.html" rel="noreferrer" target="_blank">http://zeus.theochem.tuwien.ac.at/pipermail/wien/2003-October/000880.html</a><br>
<a href="https://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg01274.html" rel="noreferrer" target="_blank">https://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg01274.html</a><br>
<a href="https://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg08114.html" rel="noreferrer" target="_blank">https://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg08114.html</a><br>
<a href="http://arxiv.org/abs/mtrl-th/9511002v1" rel="noreferrer" target="_blank">http://arxiv.org/abs/mtrl-th/9511002v1</a> [Comp. Phys. Commun. vol. 94, pp. 31-48 (1996)]<div><div class="h5"><br>
<br>
On 6/15/2015 1:08 AM, shamik chakrabarti wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<br>
Dear wien2k users,<br>
<br>
                               We need to calculate the total energy of H2 molecule. Is there any reference in which it has been done using the code wien2k...or is there any guideline to do so?...<br>
<br>
Any response in this regard will be helpful for us.<br>
<br>
Thanks in advance,<br>
<br>
with regards,<br>
-- <br>
Shamik Chakrabarti<br>
Senior Research Fellow<br>
Dept. of Physics & Meteorology<br>
Material Processing & Solid State Ionics Lab<br>
IIT Kharagpur<br>
Kharagpur 721302<br>
INDIA<br>
</blockquote></div></div>
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</blockquote></div><br><br clear="all"><div><br></div>-- <br><div class="gmail_signature">Shamik Chakrabarti<br>Senior Research Fellow<br>Dept. of Physics & Meteorology<br>Material Processing & Solid State Ionics Lab<br>IIT Kharagpur<br>Kharagpur 721302<br>INDIA</div>
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