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hm... there is no 'Fermi' in scf.out file <br>
<br>
and therefore grep Fermi scf.out (of course I use here the file
name used in my calculations)<br>
does not give me anything<br>
<br>
maybe I need to add some parameter to the input file before
calculations to get Efermi in the output?<br>
<br>
___<br>
Sergey<br>
<br>
<div class="moz-cite-prefix">On 11/29/2012 2:27 AM, zahra vatankhah
wrote:<br>
</div>
<blockquote
cite="mid:CABje4wz4de34UKaV8krzRH6W9CWgZ0XadtjAdUNHzOJ1KJvW_Q@mail.gmail.com"
type="cite">Hello,
<div>The value of Efermi is in the output of scf run. you can type
: grep Fermi scf.out , (where scf.out is the name of the output
file of scf run) and get the Efermi.</div>
<div><br>
</div>
<div>Vatankhah</div>
<div><br>
<div class="gmail_quote">On Thu, Nov 29, 2012 at 4:28 AM, C <span
dir="ltr"><<a moz-do-not-send="true"
href="mailto:correlation@tut.by" target="_blank">correlation@tut.by</a>></span>
wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0
.8ex;border-left:1px #ccc solid;padding-left:1ex">
Hello,<br>
I was going through tutorial about making band structure
calculations.<br>
(it is available here<br>
<a moz-do-not-send="true"
href="http://people.sissa.it/%7Edegironc/QE-Tutorial/tutorial_pwscf_ex.pdf"
target="_blank">http://people.sissa.it/~degironc/QE-Tutorial/tutorial_pwscf_ex.pdf</a>)<br>
<br>
Could somebody please help me to understand how the author
chose the<br>
values in these entries.<br>
<br>
Efermi > 6.337<br>
deltaE, reference E (for tics) 1.0, 6.337<br>
<br>
__<br>
Sergey<br>
<br>
<br>
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