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<p><tt>Dear Oanh Nguyen,</tt></p>
<tt>Your input contains a lot of errors:<br>
+ ibrav = 0 then A, B, C, cosAB, cosAC, cosBC will not be needed,
CELL_PARAMETERS info is required(as you provided)<br>
A quick test by changing ibrav= 6 and remove the </tt><tt><tt>CELL_PARAMETER
part works for me.<br>
You should check whether the cell info and atoms position are
correct first.<br>
</tt>+ ATOMIC_SPECIES for Pd is missing<br>
Please sign your posts by indicating your affiliation.<br>
<br>
Best regards,<br>
Duc-Long<br>
</tt><br>
<tt><font color="#999999"><span class="moz-txt-tag">-- <br>
</span>Duc-Long Nguyen
<br>
Graduate Student, Molecular Science and Technology Program, TIGP
<br>
Institute of Atomic and Molecular Sciences,
<br>
Academia Sinica, Taipei 106, Taiwan
<br>
Phone +886-979279073
</font><br>
</tt>
<div class="moz-cite-prefix">On 10/19/2016 11:04 AM, Oanh Nguyen
wrote:<br>
</div>
<blockquote
cite="mid:CAG+h4PgHr+1u79kYq-1G1rBPSFEOd7CyNtFdp1-pNUjsNcFrow@mail.gmail.com"
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<div>I have a model PdxTaSe2 with x=0.1. I built input
file with the convinient cell (62 atom - 2 Pd, 20 Ta and
- 40 Se)<br>
</div>
I have bilayer in this model. So, when I use xcrysden to
simulate this model, I have problems with pwixsf.f :<br>
"At line 131 of file pwixsf.f (unit=5,file='stdin'),
Fortran runtime error: Bad real number initem 1 of list
input"<br>
<br>
</div>
When I run pw.x to create the wave function. threr is a
problem is that :<br>
"At line 1031 of file read_cards.f90<br>
Fortran runtime error: Bad real number in item 1 of list
input"<br>
<br>
</div>
But don't find two file pwixsf.f and read_cards.f90.<br>
</div>
Can you help me to fix them? Below is the input file<br>
</div>
<br>
<fieldset class="mimeAttachmentHeader"></fieldset>
<br>
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