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<p>Dear Prof Blaha and Wien2k users,</p>
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<p>In a previous post it is inferred that we can do mBJ+eece calculations.</p>
<p><a href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg14711.html" class="OWAAutoLink" id="LPlnk117905" previewremoved="true">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg14711.html</a><br>
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<p>Using Wien2k version 16.1, I did successful TBmBJ caluctions. But when including eece ( case.ineece, case.indm and case.inorb exist) in the calculation it produces the following error</p>
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<pre>forrtl: severe (64): input conversion error, unit 11, file /home/osama/WIEN2k/Au-mBJ-eecee/Au-mBJ-eecee.r2v
Image PC Routine Line Source
lapw0 000000000055A9AC Unknown Unknown Unknown
lapw0 000000000058B2EA Unknown Unknown Unknown
lapw0 000000000058883B Unknown Unknown Unknown
lapw0 0000000000441F54 MAIN__ 2088 lapw0.F
lapw0 000000000040372E Unknown Unknown Unknown
libc-2.23.so 00002B2EE5037731 __libc_start_main Unknown Unknown
lapw0 0000000000403629 Unknown Unknown Unknown
0.071u 0.006s 0:00.07 100.0% 0+0k 0+136io 0pf+0w</pre>
By inspecting the case.in0 file and include the EECE switch as prescribed in the usersguide (pages 110-113) nothing went well.
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<p>- So, does mBJ+eece work in Wien2k 16.1?.</p>
<p>- Is the following format of case.in0 correct</p>
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<div>TOT 28 BE (XC_LDA,XC_PBESOL,XC_WC,XC_MBJ,XC_REVTPSS) <br>
R2V EECE IFFT (R2V)<br>
30 30 30 2.00 1 min IFFT-parameters, enhancement factor, iprint</div>
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<p>Best regards</p>
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<p>Osama<br>
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