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<div class="moz-cite-prefix">Dear Ceren,<br>
<br>
as the error message says:<br>
<b>Error: examine the output/error file for details</b><br>
<br>
Did you check the output file? Are your Wannier functions
converged? What does the Transport module prints on output?<br>
If the Wannier functions are unconverged, the (automatically
calculated) value for tran_num_bb will be wrong, possibly causing
your error.<br>
<br>
From your output, it seems that you are trying to reproduce
example13 of Wannier90, but you have a different number of Wannier
functions, and you do not provide initial projections (and you do
not have disentanglement), so I would guess that you may not have
found the proper WFs.<br>
<br>
Moreover, if the pseudopotentials that VASP uses are different
from the one provided in Wannier90 for Quantum ESPRESSO, remember
that most probably you will also have to adapt the energies.<br>
<br>
Best,<br>
Giovanni<br>
<br>
<br>
On 05/06/2014 04:02 PM, Ceren Tayran wrote:<br>
</div>
<blockquote
cite="mid:CAMdr_uFCzoGK1abqtUFyhWMxedMvquff1vEXFgWiFVKtEBF4YA@mail.gmail.com"
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<div dir="ltr">
<div>Thank you for your helps.</div>
<div><br>
</div>
<div>I attach my input files.</div>
<div><br>
</div>
<div>"MKL ERROR : Parameter 4 was incorrect on entry to ZGESV<br>
tran_transfer: problem in ZGESV 1<br>
Error: examine the output/error file for details"<br>
</div>
</div>
<div class="gmail_extra"><br>
<br>
<div class="gmail_quote">2014-05-06 12:08 GMT+03:00 Giovanni
Pizzi <span dir="ltr"><<a moz-do-not-send="true"
href="mailto:giovanni.pizzi@epfl.ch" target="_blank">giovanni.pizzi@epfl.ch</a>></span>:<br>
<blockquote class="gmail_quote" style="margin:0 0 0
.8ex;border-left:1px #ccc solid;padding-left:1ex">
<div text="#000000" bgcolor="#FFFFFF">
<div>Dear Ceren,<br>
it is hard to give an answer without the input files.<br>
<br>
I see two possible reasons:<br>
<br>
1. compilation/linking issues: if you have another
machine, maybe try to see if the same problem happens
also there?<br>
<br>
2. wrong input file parameters. Indeed, it is easy to
find where the error is generated:<br>
<br>
<i><tt>$ grep -n "tran_transfer: problem in ZGESV 1"
src/*.F90</tt></i><tt><br>
</tt><tt><b>src/transport.F90:1025</b>: call
io_error('tran_transfer: problem in ZGESV 1') </tt><tt><br>
</tt><br>
and if you look at line 1025 of that file, you see that
the 4th parameter of ZGESV (a few lines above) is nxx,
which is the last parameter of the tran_transfer
function. The tran_transfer is called here:<br>
<tt><br>
</tt><i><tt>$ grep -i -n "call tran_transfer" src/*.F90</tt></i><tt><br>
</tt><tt>src/transport.F90:557: call
tran_transfer(tot,tott,hB0,hB1,e_scan_cmp,<b>tran_num_bb</b>)</tt><tt><br>
</tt><tt>src/transport.F90:794: call
tran_transfer(totL,tottL,hL0,hL1,e_scan_cmp,<b>tran_num_ll</b>)</tt><tt><br>
</tt><tt>src/transport.F90:809: call
tran_transfer(totR,tottR,hR0,hR1,e_scan_cmp,<b>tran_num_rr</b>)</tt><br>
<br>
and as you see the last parameter is tran_num_bb or
tran_num_ll or tran_num_rr: therefore I would suggest to
check that these are not zero or negative in your case.<br>
<br>
Best,<br>
Giovanni Pizzi
<div>
<div class="h5"><br>
<br>
<br>
On 05/06/2014 10:07 AM, Ceren Tayran wrote:<br>
</div>
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<blockquote type="cite">
<div>
<div class="h5">
<div dir="ltr"><font color="#000000" face="Times New
Roman" size="3"> </font>
<p style="margin:0cm 0cm 10pt;text-align:justify"><span><font
color="#000000">I am a VASP user and I tried
to solve quantum transport with Wannier
function. I get the </font><span><font
color="#000000"> </font></span><font
color="#000000">.win file from VASP. I write
</font><span><font color="#000000">keywords to
the .win file. After, I use wannier90.x </font><span><font
color="#000000"> </font></span><font
color="#000000">wannier90 and it is not
produce -qc.dat.</font><span><font
color="#000000"> </font></span><font
color="#000000">the system give error. </font></span></span></p>
<font color="#000000" face="Times New Roman"
size="3"> </font>
<p style="margin:0cm 0cm 10pt;text-align:justify"><span><font
color="#000000">“MKL ERROR : Parameter 4 was
incorrect on entry to ZGESV</font></span></p>
<font color="#000000" face="Times New Roman"
size="3"> </font>
<p style="margin:0cm 0cm 10pt;text-align:justify"><span><span><font
color="#000000"> </font></span><font
color="#000000">tran_transfer: problem in
ZGESV 1</font></span></p>
<font color="#000000" face="Times New Roman"
size="3"> </font>
<p style="margin:0cm 0cm 10pt;text-align:justify"><span><font
color="#000000">Error: examine the
output/error file for details”</font></span></p>
<font color="#000000" face="Times New Roman"
size="3"> </font>
<p style="margin:0cm 0cm 10pt;text-align:justify"><span><font
color="#000000">Could you please help me? </font></span></p>
<font color="#000000" face="Times New Roman"
size="3"> </font>
<p style="margin:0cm 0cm 10pt;text-align:justify"><span><font
color="#000000">Thanks for your advice.</font></span></p>
<font color="#000000" face="Times New Roman"
size="3"> </font>
<p style="margin:0cm 0cm 10pt;text-align:justify"><span><font
color="#000000">Ceren.</font></span></p>
<font color="#000000" face="Times New Roman"
size="3"> </font></div>
<br>
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Giovanni Pizzi
Post-doctoral Research Scientist
EPFL STI IMX THEOS
MXC 340 (Bâtiment MXC)
Station 12
CH-1015 Lausanne (Switzerland)
Phone: <a moz-do-not-send="true" href="tel:%2B41%2021%2069%2031124" target="_blank" value="+41216931124">+41 21 69 31124</a></pre>
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<pre class="moz-signature" cols="72">--
Giovanni Pizzi
Post-doctoral Research Scientist
EPFL STI IMX THEOS
MXC 340 (Bâtiment MXC)
Station 12
CH-1015 Lausanne (Switzerland)
Phone: +41 21 69 31124</pre>
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