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Hi all,<br>
...and it will be great when hybrid functionals can be used as well
for it.<br>
Best,<br>
José Carlos<br>
<br>
<div class="moz-cite-prefix">El 22/01/2013 12:41, Jarkko Vähäkangas
escribió:<br>
</div>
<blockquote
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<div>Hi Emine,</div>
<div><br>
</div>
<div>thank you for your fast response and information. For the
present, I'll stay tuned and calculate with norm conserving way.
Definitely I am eager to test USSP when that day will come!</div>
<div><br>
</div>
<div>thanks, Jarkko<br class="Apple-interchange-newline">
<br class="Apple-interchange-newline">
</div>
<br>
<div>
<div>On Jan 22, 2013, at 1:02 PM, Kucukbenli Emine <<a
moz-do-not-send="true"
href="mailto:emine.kucukbenli@epfl.ch">emine.kucukbenli@epfl.ch</a>></div>
<div> wrote:</div>
<br class="Apple-interchange-newline">
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<div style="direction: ltr; font-family: Tahoma; font-size:
10pt; ">> Hi all,<br>
Hi Jarkko<br>
<br>
> So, is it so that norm conserving way is the only one
for g thus far?<span class="Apple-converted-space"> </span><br>
> If is, why and would it be doable with ultrasoft?<br>
<br>
Yes, norm conserving is the only way within 'linear
response' method implemented so far.<span
class="Apple-converted-space"> </span><br>
Big part of it is there actually, just needs a careful
check on equations and probably addition of overlap
operator 'velocities'..It is high priority in our todo
list. If you want to contribute in implementation, it
would be great. Otherwise, stay tuned!<br>
<br>
emine kucukbenli, postdoc, theos, epfl, switzerland<br>
<br>
ps: i believe there is an almost ready to be released
"converse approach" version for g tensor with USPPs. For
more on converse, check the references here:<span
class="Apple-converted-space"> </span><a
moz-do-not-send="true"
href="http://code.google.com/p/converse-nmr/">http://code.google.com/p/converse-nmr/</a><br>
<br>
</div>
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<pre class="moz-signature" cols="72">--
José C. Conesa
Instituto de Catálisis y Petroleoquímica, CSIC
Marie Curie 2, Cantoblanco
28049 Madrid - Spain
Tel. +34-915854766
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