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<p><font face="Times New Roman">Using WIEN2k 16.1 with the
x_lapw.patch [1]? If not, perhaps try the patch and see if the
Unmatched error goes away or not.</font><br>
</p>
[1] <a class="moz-txt-link-freetext" href="https://github.com/gsabo/WIEN2k-Patches/tree/master/16.1">https://github.com/gsabo/WIEN2k-Patches/tree/master/16.1</a><br>
<br>
<div class="moz-cite-prefix">On 6/29/2017 1:41 AM,
<a class="moz-txt-link-abbreviated" href="mailto:tran@theochem.tuwien.ac.at">tran@theochem.tuwien.ac.at</a> wrote:<br>
</div>
<blockquote type="cite"
cite="mid:alpine.LSU.2.11.1706290936160.1794@cynapx">The Slater
potential is not calculated because the HF module is not
<br>
executed. This is probably because of Unmatched " which I don't
yet
<br>
understand where it comes from. A few questions:
<br>
Which solid are you considering?
<br>
What is exactly the command that you used to start the
calculation?
<br>
What is the name of the directory?
<br>
<br>
<br>
On Wednesday 2017-06-28 22:02, <a class="moz-txt-link-abbreviated" href="mailto:apande@iitk.ac.in">apande@iitk.ac.in</a> wrote:
<br>
<br>
<blockquote type="cite">Date: Wed, 28 Jun 2017 22:02:38
<br>
From: <a class="moz-txt-link-abbreviated" href="mailto:apande@iitk.ac.in">apande@iitk.ac.in</a>
<br>
Reply-To: A Mailing list for WIEN2k users
<a class="moz-txt-link-rfc2396E" href="mailto:wien@zeus.theochem.tuwien.ac.at"><wien@zeus.theochem.tuwien.ac.at></a>
<br>
To: <a class="moz-txt-link-abbreviated" href="mailto:wien@zeus.theochem.tuwien.ac.at">wien@zeus.theochem.tuwien.ac.at</a>
<br>
Subject: Re: [Wien] Problem Regarding SLATER Calculations
<br>
<br>
The STDOUT
<br>
<br>
<br>
<br>
<br>
hup: Command not found.
<br>
STOP LAPW0 END
<br>
STOP LAPW0 END
<br>
Note: The following floating-point exceptions are signalling:
<br>
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
<br>
STOP LAPW1 END
<br>
Note: The following floating-point exceptions are signalling:
<br>
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
<br>
STOP LAPW1 END
<br>
STOP LAPW2 END
<br>
Unmatched ".
<br>
STOP LAPW2 END
<br>
Unmatched ".
<br>
STOP CORE END
<br>
STOP CORE END
<br>
STOP MIXER END
<br>
in cycle 2 ETEST: 0 CTEST: 0
<br>
hup: Command not found.
<br>
STOP LAPW0 END
<br>
STOP LAPW0 END
<br>
Note: The following floating-point exceptions are signalling:
<br>
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
<br>
STOP LAPW1 END
<br>
Note: The following floating-point exceptions are signalling:
<br>
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
<br>
STOP LAPW1 END
<br>
STOP LAPW2 END
<br>
Unmatched ".
<br>
STOP LAPW2 END
<br>
Unmatched ".
<br>
STOP CORE END
<br>
STOP CORE END
<br>
STOP MIXER END
<br>
in cycle 3 ETEST: 0 CTEST: 0
<br>
hup: Command not found.
<br>
STOP LAPW0 END
<br>
STOP LAPW0 END
<br>
Note: The following floating-point exceptions are signalling:
<br>
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
<br>
STOP LAPW1 END
<br>
Note: The following floating-point exceptions are signalling:
<br>
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
<br>
STOP LAPW1 END
<br>
STOP LAPW2 END
<br>
Unmatched ".
<br>
STOP LAPW2 END
<br>
Unmatched ".
<br>
STOP CORE END
<br>
STOP CORE END
<br>
Note: The following floating-point exceptions are signalling:
<br>
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
<br>
STOP MIXER END
<br>
in cycle 4 ETEST: .0250397800000000 CTEST: .182651
<br>
hup: Command not found.
<br>
STOP LAPW0 END
<br>
STOP LAPW0 END
<br>
Note: The following floating-point exceptions are signalling:
<br>
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
<br>
STOP LAPW1 END
<br>
Note: The following floating-point exceptions are signalling:
<br>
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
<br>
STOP LAPW1 END
<br>
STOP LAPW2 END
<br>
Unmatched ".
<br>
STOP LAPW2 END
<br>
Unmatched ".
<br>
STOP CORE END
<br>
STOP CORE END
<br>
Note: The following floating-point exceptions are signalling:
<br>
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
<br>
STOP MIXER END
<br>
in cycle 5 ETEST: .0810430350000000 CTEST: .089823
<br>
hup: Command not found.
<br>
STOP LAPW0 END
<br>
STOP LAPW0 END
<br>
Note: The following floating-point exceptions are signalling:
<br>
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
<br>
STOP LAPW1 END
<br>
Note: The following floating-point exceptions are signalling:
<br>
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
<br>
STOP LAPW1 END
<br>
STOP LAPW2 END
<br>
Unmatched ".
<br>
STOP LAPW2 END
<br>
Unmatched ".
<br>
STOP CORE END
<br>
STOP CORE END
<br>
Note: The following floating-point exceptions are signalling:
<br>
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
<br>
STOP MIXER END
<br>
in cycle 6 ETEST: .0510568100000000 CTEST: .018457
<br>
hup: Command not found.
<br>
STOP LAPW0 END
<br>
STOP LAPW0 END
<br>
Note: The following floating-point exceptions are signalling:
<br>
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
<br>
STOP LAPW1 END
<br>
Note: The following floating-point exceptions are signalling:
<br>
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
<br>
STOP LAPW1 END
<br>
STOP LAPW2 END
<br>
Unmatched ".
<br>
STOP LAPW2 END
<br>
Unmatched ".
<br>
STOP CORE END
<br>
STOP CORE END
<br>
Note: The following floating-point exceptions are signalling:
<br>
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
<br>
STOP MIXER END
<br>
in cycle 7 ETEST: .0130647000000000 CTEST: .002347
<br>
hup: Command not found.
<br>
STOP LAPW0 END
<br>
STOP LAPW0 END
<br>
Note: The following floating-point exceptions are signalling:
<br>
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
<br>
STOP LAPW1 END
<br>
Note: The following floating-point exceptions are signalling:
<br>
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
<br>
STOP LAPW1 END
<br>
STOP LAPW2 END
<br>
Unmatched ".
<br>
STOP LAPW2 END
<br>
Unmatched ".
<br>
STOP CORE END
<br>
STOP CORE END
<br>
Note: The following floating-point exceptions are signalling:
<br>
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
<br>
STOP MIXER END
<br>
in cycle 8 ETEST: .0025926650000000 CTEST: .000702
<br>
hup: Command not found.
<br>
STOP LAPW0 END
<br>
STOP LAPW0 END
<br>
Note: The following floating-point exceptions are signalling:
<br>
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
<br>
STOP LAPW1 END
<br>
Note: The following floating-point exceptions are signalling:
<br>
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
<br>
STOP LAPW1 END
<br>
STOP LAPW2 END
<br>
Unmatched ".
<br>
STOP LAPW2 END
<br>
Unmatched ".
<br>
STOP CORE END
<br>
STOP CORE END
<br>
Note: The following floating-point exceptions are signalling:
<br>
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
<br>
STOP MIXER END
<br>
in cycle 9 ETEST: .0004367400000000 CTEST: .000028
<br>
hup: Command not found.
<br>
STOP LAPW0 END
<br>
STOP LAPW0 END
<br>
Note: The following floating-point exceptions are signalling:
<br>
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
<br>
STOP LAPW1 END
<br>
Note: The following floating-point exceptions are signalling:
<br>
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
<br>
STOP LAPW1 END
<br>
STOP LAPW2 END
<br>
Unmatched ".
<br>
STOP LAPW2 END
<br>
Unmatched ".
<br>
STOP CORE END
<br>
STOP CORE END
<br>
Note: The following floating-point exceptions are signalling:
<br>
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
<br>
STOP MIXER END
<br>
in cycle 10 ETEST: .0001005450000000 CTEST: .000016
<br>
hup: Command not found.
<br>
STOP LAPW0 END
<br>
STOP LAPW0 END
<br>
Note: The following floating-point exceptions are signalling:
<br>
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
<br>
STOP LAPW1 END
<br>
Note: The following floating-point exceptions are signalling:
<br>
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
<br>
STOP LAPW1 END
<br>
STOP LAPW2 END
<br>
Unmatched ".
<br>
STOP LAPW2 END
<br>
Unmatched ".
<br>
STOP CORE END
<br>
STOP CORE END
<br>
Note: The following floating-point exceptions are signalling:
<br>
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
<br>
STOP MIXER END
<br>
<br>
<blockquote type="cite"> stop
<br>
</blockquote>
<br>
With regards
<br>
Aditya Pande
<br>
<br>
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</blockquote>
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