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<p style="margin-bottom: 0.5cm;"><b>Gud morning sir,<br>i am using
wien2k using executables but while running run_lapw some error
occurs, what i get on the command prompt is as
follows.<br>asverma@asverma-laptop:~/work/cdgep2$ run_lapw </b><br>hup:
Command not found.<br>Invalid null command.<br> LAPW0 END<br> LAPW1
END<br> LAPW2 END<br>Invalid null command.<br> CORE
END<br>Invalid null command.<br> MIXER END<br>ec cc and fc_conv
0 1 1<br>in cycle 2 ETEST: 0 CTEST:
0<br>hup: Command not found.<br>Invalid null command.<br> LAPW0
END<br> LAPW1 END<br> LAPW2 END<br>Invalid null
command.<br> CORE END<br>Invalid null command.<br> MIXER
END<br>ec cc and fc_conv 0 1 1<br>in cycle 3 ETEST:
0 CTEST: 0<br>hup: Command not found.<br>Invalid null
command.<br> LAPW0 END<br> LAPW1 END<br> LAPW2
END<br>Invalid null command.<br> CORE END<br>Invalid null
command.<br> MIXER END<br>ec cc and fc_conv 0 1 1<br>in cycle
4 ETEST: .0914830950000000 CTEST:
.1438958<br>hup: Command not found.<br>Invalid null command.<br> LAPW0
END<br> LAPW1 END<br> LAPW2 END<br>Invalid null
command.<br> CORE END<br>Invalid null command.<br> MIXER
END<br>ec cc and fc_conv 0 1 1<br>in cycle 5 ETEST:
.0434950100000000 CTEST: .1327501<br>hup: Command not
found.<br>Invalid null command.<br> LAPW0 END<br> LAPW1
END<br> LAPW2 END<br>Invalid null command.<br> CORE
END<br>Invalid null command.<br> MIXER END<br>ec cc and fc_conv
0 1 1<br>in cycle 6 ETEST: .0036462400000000
CTEST: .0458764<br>hup: Command not found.<br>Invalid null
command.<br> LAPW0 END<br> LAPW1 END<br> LAPW2
END<br>Invalid null command.<br> CORE END<br>Invalid null
command.<br> MIXER END<br>ec cc and fc_conv 0 1 1<br>in cycle
7 ETEST: .0021384350000000 CTEST:
.0363280<br>hup: Command not found.<br>Invalid null command.<br> LAPW0
END<br> LAPW1 END<br> LAPW2 END<br>Invalid null
command.<br> CORE END<br>Invalid null command.<br> MIXER
END<br>ec cc and fc_conv 0 1 1<br>in cycle 8 ETEST:
.0010056200000000 CTEST: .0072549<br>hup: Command not
found.<br>Invalid null command.<br> LAPW0 END<br> LAPW1
END<br> LAPW2 END<br>Invalid null command.<br> CORE
END<br>Invalid null command.<br> MIXER END<br>ec cc and fc_conv
0 1 1<br>in cycle 9 ETEST: .0004292050000000
CTEST: .0045585<br>hup: Command not found.<br>Invalid null
command.<br> LAPW0 END<br> LAPW1 END<br> LAPW2
END<br>Invalid null command.<br> CORE END<br>Invalid null
command.<br> MIXER END<br>ec cc and fc_conv 1 1 1<br><br>>
stop<br>asverma@asverma-laptop:~/work/cdgep2$ save_lapw 100<br>Fallback
to compatibility mode with "old" save_lapw<br>broyden files
deleted, clm*, dmat*, vorb*, vresp*, eece*, scf and struct files
saved under 100<br>asverma@asverma-laptop:~/work/cdgep2$ rm
*.bro*<br>rm: cannot remove `*.bro*': No such file or
directory<br>asverma@asverma-laptop:~/work/cdgep2$ tail *.dayfile<br>>
lapw0 (12:23:41) 11.2u 0.1s 0:11.33 100.0% 0+0k
0+2168io 0pf+0w<br>> lapw1 -c
(12:23:52) 30.2u 1.1s 0:17.86 175.9% 0+0k 0+38120io 0pf+0w<br>>
lapw2 -c (12:24:10) 7.2u 0.3s
0:04.88 156.3% 0+0k 0+2592io 0pf+0w<br>> lcore
(12:24:15) 0.0u 0.0s 0:00.03 100.0% 0+0k 0+352io 0pf+0w<br>>
mixer (12:24:15) 0.1u 0.0s 0:00.17 94.1% 0+0k
0+3464io 0pf+0w<br>:ENERGY convergence: 1 0.0001
.0000572100000000<br>:CHARGE convergence: 0 0.0000 .0017899<br>ec
cc and fc_conv 1 1 1<br><br>>
stop<br>asverma@asverma-laptop:~/work/cdgep2$<br><br>I am not able to
understand wheather there is any problem.also while i was using DOS
utility i got<br><br>Commandline: <b>x lapw2 -qtl </b><br>Program
input is: <b>""</b>
</p>
<pre class="western">Invalid null command.
head: cannot open `cdgep2.in2' for reading: No such file or directory
cp: cannot stat `cdgep2.in2': No such file or directory
sed: can't read .oldin2: No such file or directory
forrtl: severe (24): end-of-file during read, unit 5, file /home/asverma/work/cdgep2/cdgep2.in2
Image PC Routine Line Source
lapw2 082CDBED Unknown Unknown Unknown
lapw2 082CD165 Unknown Unknown Unknown
lapw2 08288C98 Unknown Unknown Unknown
lapw2 08252AFA Unknown Unknown Unknown
lapw2 0825241B Unknown Unknown Unknown
lapw2 0826C8A1 Unknown Unknown Unknown
lapw2 080813C7 MAIN__ 198 lapw2_tmp_.F
lapw2 080482A1 Unknown Unknown Unknown
lapw2 082D8E30 Unknown Unknown Unknown
lapw2 08048161 Unknown Unknown Unknown
0.0u 0.0s 0:00.38 0.0% 0+0k 8+16io 0pf+0w
error: command /home/asverma/wien10/lapw2 lapw2.def failed</pre>
please help.thanks<BR>
<div id="ecx:1m" dir="LTR">
<br>sincerely<br>AS Verma<BR>
</div>
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