Thanks a lot.<br>vickysingh<br><br><div class="gmail_quote">On Mon, Jun 14, 2010 at 4:22 PM, Stefano Baroni <span dir="ltr"><<a href="mailto:baroni@sissa.it">baroni@sissa.it</a>></span> wrote:<br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
<div style="">you use an xc functional different from the one that used to generate the pseudopotential, hence "us at your own risk". this issue has been dscussed many time on this forum in the past, I believe ... SB<div>
<div><div></div><div class="h5"><br><div><div>On Jun 14, 2010, at 12:19 PM, vicky singh wrote:</div><br><blockquote type="cite">Hi <br>Thank you very much. but sorry i could not understand <br> "Use - at your own risk - input variable
<tt>input_dft</tt> to force the usage of the DFT you like.
"<br>can you please help. <br><br>regards<br><br>vickysingh <br>Research student<br>Bangalore<br><br><br><div class="gmail_quote">On Mon, Jun 14, 2010 at 12:23 PM, Paolo Giannozzi <span dir="ltr"><<a href="mailto:giannozz@democritos.it" target="_blank">giannozz@democritos.it</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;"><div><br>
On Jun 14, 2010, at 8:24 , vicky singh wrote:<br>
<br>
><br>
> from readpp : error # 3<br>
> inconsistent DFT read<br>
<br>
</div> From the user guie:<br>
"10.1.0.6 .x stops with inconsistent DFT error<br>
As a rule, the flavor of DFT used in the calculation should be the<br>
same as the one used<br>
in the generation of pseudopotentials, which should all be<br>
generated using the same flavor<br>
of DFT. This is actually enforced: the type of DFT is read from<br>
pseudopotential files and it<br>
is checked that the same DFT is read from all PPs. If this does not<br>
hold, the code stops<br>
with the above error message. Use - at your own risk - input<br>
variable input_dft to force<br>
the usage of the DFT you like."<br>
<br>
> Research student<br>
<br>
...and searching the documentation in case of errors is not part of<br>
research, is that true?<br>
---<br>
Paolo Giannozzi, Dept of Physics, University of Udine<br>
via delle Scienze 208, 33100 Udine, Italy<br>
Phone +39-0432-558216, fax +39-0432-558222<br>
<br>
<br>
<br>
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<div><div style="margin: 0px;"><font size="3"><span style="font-size: 12px;">---</span></font></div><div style="margin: 0px;"><font size="3"><span style="font-size: 12px;">Stefano Baroni - SISSA</span></font><font size="3"><span style="font-size: 12px;"> </span></font><font size="3"><span style="font-size: 12px;">&</span></font><font size="3"><span style="font-size: 12px;"> </span></font><font size="3"><span style="font-size: 12px;">DEMOCRITOS National Simulation Center - Trieste</span></font></div>
<div style="margin: 0px;"><font size="3"><span style="font-size: 12px;"><a href="http://stefano.baroni.me" target="_blank">http://stefano.baroni.me</a> [+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype)</span></font></div>
<div style="margin: 0px; min-height: 14px; font-size: 12px;"><br style="font-size: 12px;"></div><div style="margin: 0px; min-height: 14px; font-size: 12px;"><span style="font-size: 14px;"><div style="margin: 0px;"><font size="3"><span style="font-size: 12px;">La morale est une logique de l'action comme la logique est une morale de la pensée - Jean Piaget</span></font></div>
<div style="margin: 0px;"><font size="3"><span style="font-size: 12px;"><br></span></font></div></span></div><div style="margin: 0px;"><font size="3"><span style="font-size: 12px;">Please, if possible, don't</span></font><font size="3"><span style="font-size: 12px;"> </span></font><font size="3"><span style="font-size: 12px;">send me MS Word or PowerPoint attachments</span></font></div>
<div style="margin: 0px;"><font size="3"><span style="font-size: 12px;">Why? See:</span></font><font size="3"><span style="font-size: 12px;"> </span></font><font size="3" color="#0023e9"><span style="font-size: 12px;"><a href="http://www.gnu.org/philosophy/no-word-attachments.html" target="_blank">http://www.gnu.org/philosophy/no-word-attachments.html</a></span></font></div>
<div><font size="3" color="#0023e9"><span style="font-size: 12px;"><br></span></font></div></div></div></span><br></div></span><br></div></span><br></div></span><br></span><br>
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