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Dear Prof. Blaha and Wien2k Developers,<br>
<br>
In lines 271-289 of opticpara_lapw (WIEN2k_11.1 Release 14/6/2011),
should ${scratch} be added in front of $case.symmat_$i$updn,
$case.mommat_$i$updn, $case.mat_diag_$i$updn, and $case.mme_$i$updn?<br>
<br>
For example, ${scratch} seems to be given in the def file template
of line 807. The def file seems to be adjusted for parallel
execution in line 154. Then, later ${scratch} may be missing when
it goes to concatenate the parallel files (lines 271-289).<br>
<br>
$WIENROOT/x_lapw<br>
<br>
line 807:<br>
3, '${scratch}$file.symmat$updn' , 'UNKNOWN', 'FORMATTED', 0<br>
<br>
$WIENROOT/opticpara_lapw<br>
<br>
line 154:<br>
s/symmat/&_$i/w .mist<br>
<br>
lines 271-289:<br>
set i = 1<br>
while ($i <= $maxproc)<br>
if ( $i == 1 ) then<br>
cat $case.symmat_$i$updn >> $case.symmat$updn<br>
cat $case.mommat_$i$updn >> $case.mommat$updn<br>
cat $case.mat_diag_$i$updn >> $case.mat_diag$updn<br>
cat $case.mme_$i$updn >> $case.mme$updn<br>
else<br>
tail -n +2 $case.symmat_$i$updn >> $case.symmat$updn<br>
tail -n +2 $case.mommat_$i$updn >> $case.mommat$updn<br>
tail -n +2 $case.mat_diag_$i$updn >> $case.mat_diag$updn<br>
tail -n +2 $case.mme_$i$updn >> $case.mme$updn<br>
endif<br>
rm $case.symmat_$i$updn<br>
rm $case.mommat_$i$updn<br>
rm $case.mat_diag_$i$updn<br>
rm $case.mme_$i$updn<br>
@ i ++<br>
end<br>
<br>
On 6/5/2012 5:11 AM, soumyajyoti haldar wrote:
<blockquote
cite="mid:CAJhMXPDfOVLFGT2R2CbH+rzj2Dvq4Zvf-qr9GqevPcdu3NgjPA@mail.gmail.com"
type="cite">Dear Prof. Blaha and Wien2k Users <br>
<br>
I am also getting similar result. What may be the cause ? <br>
<br>
<div class="gmail_quote">On Thu, May 31, 2012 at 4:58 PM, shahram
solimanpour <span dir="ltr"><<a moz-do-not-send="true"
href="mailto:shsolimanpour@gmail.com" target="_blank">shsolimanpour@gmail.com</a>></span>
wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0
.8ex;border-left:1px #ccc solid;padding-left:1ex">Dear P.Blaha
and Wien2k Users,
<div>i want to calculate the optical properties using
Wien2k_11.</div>
<div>everything is ok, but when i execute 'x optic' commend,
the following error has occurred:</div>
<div><span>cat: BaSn.875Mn.symmat_1up: No such file or
directory</span><br>
<span>cat: BaSn.875Mn.mommat_1up: No such file or directory</span><br>
<span>cat: BaSn.875Mn.mat_diag_1up: No such file or
directory</span><br>
<span>cat: BaSn.875Mn.mme_1up: No such file or directory</span><br>
<span>rm: cannot remove `BaSn.875Mn.symmat_1up': No such
file or directory</span> .</div>
<div><span>I'll appreciate it if you could assist me in this
regrad and reply my email.</span></div>
<div><br>
</div>
<div>Regards</div>
<span class="HOEnZb"><font color="#888888">
<div><span>Shahram</span> <br clear="all">
<div><br>
</div>
-- <br>
<div><font face="arial black,sans-serif">تا کجا می برد
این نقش به دیوار مرا ؟</font></div>
<div><font face="arial black,sans-serif">تا بدان جا که
فرو می ماند</font></div>
<div><font face="arial black,sans-serif">چشم از دیدن و
لب نیز ز گفتار مرا</font></div>
<div> </div>
<div><i><a moz-do-not-send="true" href="mailto:$h@hr@m"
target="_blank"><font color="#00cccc"
face="courier new,monospace">$h@hr@m</font></a></i></div>
<br>
</div>
</font></span><br>
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</blockquote>
</div>
<br>
<br clear="all">
<br>
-- <br>
Soumyajyoti Haldar, PhD Student<br>
<br>
Department of Physics and Astronomy, Materials Theory<br>
Ångström Laboratory, Office Å13235 | Uppsala University<br>
Box 516, SE-75120, Uppsala, SWEDEN<br>
<br>
Phone: (+46) 18 471 5860<br>
Mobile: (+46) 070 0399 394<br>
<a moz-do-not-send="true"
href="http://www.physics.uu.se/en/page/soumyajyoti-haldar"
target="_blank">http://www.physics.uu.se/en/page/soumyajyoti-haldar</a><br>
<br>
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