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Well, apparently the added feature of sum_states.py over sumpdos.x
was the possibility to sum k-resolved DOS (but loosing k-resolution)
and to provide a plot immediately on screen. But generally I use
sumpdos.x (and I use it a lot) within shell scripts, then plot and
analyse the results by dedicated software. Personally I don't see
the advantage of an immediate "preview", but this is just my point
of view.<br>
Guido<br>
<br>
<br>
<div class="moz-cite-prefix">On 07/04/2016 22:11, Paolo Giannozzi
wrote:<br>
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cite="mid:CAPMgbCvoUhCdUNPxhscKX=2MtigQkSj7Ai12sfcoN-4nZfNmHQ@mail.gmail.com"
type="cite">
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<div>Hi Guido, thank you. Your change looks ok and I am going to
commit it. Do you think that "sum_states.py" is useless and
can be removed?<br>
<br>
</div>
Paolo<br>
<div><br>
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<div class="gmail_extra"><br>
<div class="gmail_quote">On Thu, Apr 7, 2016 at 3:48 PM, Guido
Fratesi <span dir="ltr"><<a moz-do-not-send="true"
href="mailto:guido.fratesi@unimi.it" target="_blank">guido.fratesi@unimi.it</a>></span>
wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0
.8ex;border-left:1px #ccc solid;padding-left:1ex">Dear QE
developers,<br>
<br>
the program PP/src/sumpdos.f90 currently allows one to sum
projected density of states, integrated over the full
Brillouin zone, as computed by PP/src/projwfc.x.<br>
I have modified it slightly so as to sum also the k-resolved
DOS files (always from projwfc, with kresolveddos=.true.).<br>
[notice that the pyton script in PP/tools/sum_states.py is
useless in this respect because it also sums over k]<br>
<br>
I tested it and it works both for standard and k-resolved
files.<br>
The output format has been made more similar to that of the
files written by projwfc.x and read by the program.<br>
<br>
Is it sufficient to attach it here, so as to include it in
the QE distribution?<br>
Thank you for your kind attention.<br>
<br>
Best regards,<br>
Guido<span class="HOEnZb"><font color="#888888"><br>
<br>
-- <br>
Guido Fratesi<br>
<br>
Dipartimento di Fisica<br>
Universita` degli Studi di Milano<br>
Via Celoria 16, 20133 Milano, Italy<br>
<br>
Phone: <a moz-do-not-send="true"
href="tel:%2B39%2002%20503%2017348"
value="+390250317348" target="_blank">+39 02 503 17348</a><br>
email: <a moz-do-not-send="true"
href="mailto:guido.fratesi@unimi.it" target="_blank">guido.fratesi@unimi.it</a><br>
web: <a moz-do-not-send="true"
href="https://sites.google.com/site/guidofratesi/"
rel="noreferrer" target="_blank">https://sites.google.com/site/guidofratesi/</a><br>
<br>
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<br>
<br clear="all">
<br>
-- <br>
<div class="gmail_signature">
<div dir="ltr">
<div>
<div dir="ltr">
<div>Paolo Giannozzi, Dip. Scienze Matematiche
Informatiche e Fisiche,<br>
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>
Phone +39-0432-558216, fax +39-0432-558222<br>
<br>
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</blockquote>
<br>
<pre class="moz-signature" cols="72">--
Guido Fratesi
Dipartimento di Fisica
Universita` degli Studi di Milano
Via Celoria 16, 20133 Milano, Italy
Phone: +39 02 503 17348
email: <a class="moz-txt-link-abbreviated" href="mailto:guido.fratesi@unimi.it">guido.fratesi@unimi.it</a>
web: <a class="moz-txt-link-freetext" href="https://sites.google.com/site/guidofratesi/">https://sites.google.com/site/guidofratesi/</a>
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