[Wien] x optic error
Dear all, I have initialize and also optimize the structure file of Cu2ZnSnS4 using the 64k point and further we have computed the Density of states using 1000k point but when we are computing the optical properties then it give the error like forrtl: severe (179): Cannot allocate array - overflow on array size calculation. Image PCRoutineLineSource opticc 004E123A Unknown Unknown Unknown opticc 004DFDB5 Unknown Unknown Unknown opticc 00491D26 Unknown Unknown Unknown opticc 00457215 Unknown Unknown Unknown opticc 0047AA3A Unknown Unknown Unknown opticc 0042617A planew_86 planew_tmp.f opticc 004380FC mom_mat_ 588 sph-UP_tmp.f opticc 0042064D MAIN__453 opmain.f opticc 0040337C Unknown Unknown Unknown libc.so.6 003ED421D994 Unknown Unknown Unknown opticc 00403289 Unknown Unknown Unknown this error is occurs when i give the command x optic. in this calculation we have used 12 core and 144 processor. the procedure which i follow for optical properties is x kgen x lapw1 x lapw2 -fermi x optic -- Thanks & Regards Rajneesh Chaurasiya Research Scholar IIT Jodhpur, India Mob. No. +91-9584499697 +91-7610950803 ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
[Wien] x optic error
Thanks for the help. It is working now. On Wed, Jun 6, 2012 at 7:36 PM, Gavin Abo gsabo at crimson.ua.edu wrote: ^M: Command not found. - Most likely the file opticpara_lapw was transferred from Windows to the Linux system. To remove the Windows carriage returns in the file (^M), try the following command in the Linux terminal: dos2unix $WIENROOT/opticpara_lapw If you don't have dos2unix on your system, some other methods are described at: http://kb.iu.edu/data/acux.html -- Soumyajyoti Haldar, PhD Student Department of Physics and Astronomy, Materials Theory ?ngstr?m Laboratory, Office ?13235 | Uppsala University Box 516, SE-75120, Uppsala, SWEDEN Phone: (+46) 18 471 5860 Mobile: (+46) 070 0399 394 http://www.physics.uu.se/en/page/soumyajyoti-haldar -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120606/2fd9cf3f/attachment.htm
[Wien] x optic error
Here is the modified opticpara_lapw
Am 05.06.2012 19:36, schrieb soumyajyoti haldar:
Dear Prof. Blaha,
How we can get the modified file? Will you update the file after modification
in the download section of the site ?
On Tue, Jun 5, 2012 at 3:56 PM, Peter Blaha pblaha at theochem.tuwien.ac.at
mailto:pblaha at theochem.tuwien.ac.at wrote:
You are absolutely right. $SCRATCH is not used consistently in x_lapw and
opticpara
I'll add ${scratch} in front of all $case.symmat_$i$updn lines (and
similar for other files)
in opticpara_lapw.
--
P.Blaha
--
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300 FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.atWWW: http://info.tuwien.ac.at/theochem/
--
-- next part --
#!/bin/csh -f
#
# Run optic in parallel mode
#
# $Author: M.Lee $
#
set tmp = /tmp/opticpara.$$
set tmp2 = /tmp/opticpara.$$_2
touch .lock_
foreach i (.lock_*)
rm $i
end
onintr exit
set name= $0
set bin = $name:h #default directory for WIEN-executables
if !(-d $bin) set bin = .
set name= $name:t
unalias rm
alias testinput 'if (! -e \!:1 || -z \!:1) goto \!:2'
alias testerror 'if (! -z \!:1.error) goto error'
set t = time
set cmplx
set log = :parallel
set defmach = `hostname`
set updn# spinpolarization switch
set dnup= 'dn' # spinpolarization switch
set sc # semicore-switch
set hf # hybrid-switch
set so # spinorbit-switch
set remote = ssh
set init = init:
set res = residue:
set taskset0
set taskset='no'
set scratch =
if ( $?SCRATCH ) then
set scratch=`echo $SCRATCH | sed -e 's/\/$//'`/ # we are afraid
# different settings in different
# computing centers
#use global variable for scratch if set
endif
# In this section use 0 to turn of an option, 1 to turn it on,
# respectively choose a value
set useremote = 1 # using remote shell to launch processes
set delay = 1 # delay launching of processes by n seconds
set debug = 0 # set verbosity of debugging output
# and now we look if we should override the defaults
if (-e $bin/parallel_options) then
source $bin/parallel_options
endif
if ( $?TASKSET ) then
set taskset=$TASKSET
endif
if ( $?USE_REMOTE ) then
set useremote = $USE_REMOTE
endif
if ($#argv 1) then
echo usage: $0 deffile
exit
endif
while ($#argv)
switch ($1)
case -h:
case -H:
set help
shift; breaksw
case -c:
set cmplx = c
shift; breaksw
case -up:
set updn = 'up'
set dnup = 'dn'
shift; breaksw
case -dn:
set updn = 'dn'
set dnup = 'up'
shift; breaksw
case -hf:
set hf = 'hf'
shift; breaksw
case -so:
set so = 'so'
shift; breaksw
case -sc:
set sc = 's'
shift; breaksw
default:
set def = $1:r
shift; breaksw
endsw
end
set exe = $bin/optic$cmplx
set exe = optic$cmplx
#are we running parallel?
testinput .processes single
echo running OPTIC in parallel mode
echo RUNNING .opticpara
#before we start, we wipe away all parallel error files
if ( -e optic_1.error ) rm *optic_*.error
if ( -e .timeop_1) rm .timeop_*
if (-e .machines.help) rm .machines.help
grep -v $init .processes|grep : | grep -v $res $tmp2
set mist = `wc $tmp2 `
set maxproc = $mist[1]
#set machine = `grep $init .processes |cut -f2 -d: | xargs`
set machine = `grep -v $init .processes |grep : | grep -v $res | cut -f2 -d: |
xargs`
set lockfile = `cut -f2 -d: $tmp2 | awk '{print $1 NR}'|xargs`
set residue = `grep $res .processes|cut -f2 -d:`
if ($residue == ) unset residue
if ($debug 0) echo machines: $machine
echo ** Error in Parallel OPTIC $def.error
#bounding cpus
set p_cpu_bound = ($machine)
set i=1
set cpu=0
set old=old
while ($i = $#p_cpu_bound)
if($old != $p_cpu_bound[$i]) then
set cpu=0
endif
set old=$p_cpu_bound[$i]
set p_cpu_bound[$i] = $cpu
@ cpu ++
@ i ++
end
#echo $machine
#echo $p_cpu_bound
#get name of case
setenv PWD `pwd|sed s/tmp_mnt\///`
#echo $PWD
setenv PWD $cwd
set case= $PWD
set case= $case:t
if ($case == ) then
echo ERROR: cannot detect working directory $cwd - exit
exit 1
endif
set case= $case:r #head of file-names
if ($debug 0) echo Setting up case $case
[Wien] x optic error
Dear Prof. Blaha and other users,
I am trying to run x optic -p with the new file you provided. I am getting
following error
Commandline: x optic -p
Program input is:
^M: Command not found.
foreach: Words not parenthesized.
0.0u 0.0s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
error: command /home/shaldar/codes/wien2k/opticpara optic.def failed
Particularly this error comes during the parallel execution of the code.
Serial version does not produce this error.
On Wed, Jun 6, 2012 at 8:56 AM, Peter Blaha pblaha at
theochem.tuwien.ac.atwrote:
Here is the modified opticpara_lapw
Am 05.06.2012 19:36, schrieb soumyajyoti haldar:
Dear Prof. Blaha,
How we can get the modified file? Will you update the file after
modification in the download section of the site ?
On Tue, Jun 5, 2012 at 3:56 PM, Peter Blaha pblaha at
theochem.tuwien.ac.atmailto:
pblaha at theochem.**tuwien.ac.at pblaha at theochem.tuwien.ac.at wrote:
You are absolutely right. $SCRATCH is not used consistently in x_lapw
and opticpara
I'll add ${scratch} in front of all $case.symmat_$i$updn lines (and
similar for other files)
in opticpara_lapw.
--
P.Blaha
--**--**
--
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300 FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.atWWW: http://info.tuwien.ac.at/**
theochem/ http://info.tuwien.ac.at/theochem/
--**--**
--
___
Wien mailing list
Wien at zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
--
Soumyajyoti Haldar, PhD Student
Department of Physics and Astronomy, Materials Theory
?ngstr?m Laboratory, Office ?13235 | Uppsala University
Box 516, SE-75120, Uppsala, SWEDEN
Phone: (+46) 18 471 5860
Mobile: (+46) 070 0399 394
http://www.physics.uu.se/en/page/soumyajyoti-haldar
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[Wien] x optic error
^M: Command not found. - Most likely the file opticpara_lapw was
transferred from Windows to the Linux system.
To remove the Windows carriage returns in the file (^M), try the
following command in the Linux terminal:
dos2unix $WIENROOT/opticpara_lapw
If you don't have dos2unix on your system, some other methods are
described at:
http://kb.iu.edu/data/acux.html
On 6/6/2012 10:27 AM, soumyajyoti haldar wrote:
Dear Prof. Blaha and other users,
I am trying to run x optic -p with the new file you provided. I am
getting following error
Commandline: x optic -p
Program input is:
^M: Command not found.
foreach: Words not parenthesized.
0.0u 0.0s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
error: command /home/shaldar/codes/wien2k/opticpara optic.def failed
Particularly this error comes during the parallel execution of the
code. Serial version does not produce this error.
On Wed, Jun 6, 2012 at 8:56 AM, Peter Blaha
pblaha at theochem.tuwien.ac.at mailto:pblaha at theochem.tuwien.ac.at
wrote:
Here is the modified opticpara_lapw
Am 05.06.2012 19:36, schrieb soumyajyoti haldar:
Dear Prof. Blaha,
How we can get the modified file? Will you update the file
after modification in the download section of the site ?
On Tue, Jun 5, 2012 at 3:56 PM, Peter Blaha
pblaha at theochem.tuwien.ac.at
mailto:pblaha at theochem.tuwien.ac.at
mailto:pblaha at theochem.tuwien.ac.at
mailto:pblaha at theochem.tuwien.ac.at wrote:
You are absolutely right. $SCRATCH is not used consistently
in x_lapw and opticpara
I'll add ${scratch} in front of all $case.symmat_$i$updn
lines (and similar for other files)
in opticpara_lapw.
--
P.Blaha
--
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300 tel:%2B43-1-58801-165300
FAX: +43-1-58801-165982 tel:%2B43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at
mailto:blaha at theochem.tuwien.ac.atWWW:
http://info.tuwien.ac.at/theochem/
--
___
Wien mailing list
Wien at zeus.theochem.tuwien.ac.at
mailto:Wien at zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
--
Soumyajyoti Haldar, PhD Student
Department of Physics and Astronomy, Materials Theory
?ngstr?m Laboratory, Office ?13235 | Uppsala University
Box 516, SE-75120, Uppsala, SWEDEN
Phone: (+46) 18 471 5860
Mobile: (+46) 070 0399 394
http://www.physics.uu.se/en/page/soumyajyoti-haldar
___
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[Wien] x optic error
Dear Prof. Blaha and Wien2k Users I am also getting similar result. What may be the cause ? On Thu, May 31, 2012 at 4:58 PM, shahram solimanpour shsolimanpour at gmail.com wrote: Dear P.Blaha and Wien2k Users, i want to calculate the optical properties using Wien2k_11. everything is ok, but when i execute 'x optic' commend, the following error has occurred: cat: BaSn.875Mn.symmat_1up: No such file or directory cat: BaSn.875Mn.mommat_1up: No such file or directory cat: BaSn.875Mn.mat_diag_1up: No such file or directory cat: BaSn.875Mn.mme_1up: No such file or directory rm: cannot remove `BaSn.875Mn.symmat_1up': No such file or directory . I'll appreciate it if you could assist me in this regrad and reply my email. Regards Shahram -- ?? ??? ?? ??? ??? ??? ?? ? ??? ? ?? ?? ?? ??? ?? ??? ?? ? ?? ??? ? ? ??? *$h at hr@m* ___ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- Soumyajyoti Haldar, PhD Student Department of Physics and Astronomy, Materials Theory ?ngstr?m Laboratory, Office ?13235 | Uppsala University Box 516, SE-75120, Uppsala, SWEDEN Phone: (+46) 18 471 5860 Mobile: (+46) 070 0399 394 http://www.physics.uu.se/en/page/soumyajyoti-haldar -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120605/e9b07672/attachment.htm
[Wien] x optic error
Dear Prof. Blaha and Wien2k Developers,
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?
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).
$WIENROOT/x_lapw
line 807:
3, '${scratch}$file.symmat$updn' , 'UNKNOWN','FORMATTED', 0
$WIENROOT/opticpara_lapw
line 154:
s/symmat/_$i/w .mist
lines 271-289:
set i = 1
while ($i = $maxproc)
if ( $i == 1 ) then
cat $case.symmat_$i$updn $case.symmat$updn
cat $case.mommat_$i$updn $case.mommat$updn
cat $case.mat_diag_$i$updn $case.mat_diag$updn
cat $case.mme_$i$updn $case.mme$updn
else
tail -n +2 $case.symmat_$i$updn $case.symmat$updn
tail -n +2 $case.mommat_$i$updn $case.mommat$updn
tail -n +2 $case.mat_diag_$i$updn $case.mat_diag$updn
tail -n +2 $case.mme_$i$updn $case.mme$updn
endif
rm $case.symmat_$i$updn
rm $case.mommat_$i$updn
rm $case.mat_diag_$i$updn
rm $case.mme_$i$updn
@ i ++
end
On 6/5/2012 5:11 AM, soumyajyoti haldar wrote:
Dear Prof. Blaha and Wien2k Users
I am also getting similar result. What may be the cause ?
On Thu, May 31, 2012 at 4:58 PM, shahram solimanpour
shsolimanpour at gmail.com mailto:shsolimanpour at gmail.com wrote:
Dear P.Blaha and Wien2k Users,
i want to calculate the optical properties using Wien2k_11.
everything is ok, but when i execute 'x optic' commend, the
following error has occurred:
cat: BaSn.875Mn.symmat_1up: No such file or directory
cat: BaSn.875Mn.mommat_1up: No such file or directory
cat: BaSn.875Mn.mat_diag_1up: No such file or directory
cat: BaSn.875Mn.mme_1up: No such file or directory
rm: cannot remove `BaSn.875Mn.symmat_1up': No such file or directory .
I'll appreciate it if you could assist me in this regrad and
reply my email.
Regards
Shahram
--
?? ??? ?? ??? ??? ??? ?? ? ??? ?
?? ?? ?? ??? ??
??? ?? ? ?? ??? ? ? ???
/$h at hr@m mailto:$h at hr@m/
___
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Wien at zeus.theochem.tuwien.ac.at
mailto:Wien at zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
--
Soumyajyoti Haldar, PhD Student
Department of Physics and Astronomy, Materials Theory
?ngstr?m Laboratory, Office ?13235 | Uppsala University
Box 516, SE-75120, Uppsala, SWEDEN
Phone: (+46) 18 471 5860
Mobile: (+46) 070 0399 394
http://www.physics.uu.se/en/page/soumyajyoti-haldar
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[Wien] x optic error
You are absolutely right. $SCRATCH is not used consistently in x_lapw and
opticpara
I'll add ${scratch} in front of all $case.symmat_$i$updn lines (and similar for
other files)
in opticpara_lapw.
Am 05.06.2012 15:23, schrieb Gavin Abo:
Dear Prof. Blaha and Wien2k Developers,
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?
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).
$WIENROOT/x_lapw
line 807:
3, '${scratch}$file.symmat$updn' , 'UNKNOWN', 'FORMATTED', 0
$WIENROOT/opticpara_lapw
line 154:
s/symmat/_$i/w .mist
lines 271-289:
set i = 1
while ($i = $maxproc)
if ( $i == 1 ) then
cat $case.symmat_$i$updn $case.symmat$updn
cat $case.mommat_$i$updn $case.mommat$updn
cat $case.mat_diag_$i$updn $case.mat_diag$updn
cat $case.mme_$i$updn $case.mme$updn
else
tail -n +2 $case.symmat_$i$updn $case.symmat$updn
tail -n +2 $case.mommat_$i$updn $case.mommat$updn
tail -n +2 $case.mat_diag_$i$updn $case.mat_diag$updn
tail -n +2 $case.mme_$i$updn $case.mme$updn
endif
rm $case.symmat_$i$updn
rm $case.mommat_$i$updn
rm $case.mat_diag_$i$updn
rm $case.mme_$i$updn
@ i ++
end
On 6/5/2012 5:11 AM, soumyajyoti haldar wrote:
Dear Prof. Blaha and Wien2k Users
I am also getting similar result. What may be the cause ?
On Thu, May 31, 2012 at 4:58 PM, shahram solimanpour shsolimanpour at
gmail.com mailto:shsolimanpour at gmail.com wrote:
Dear P.Blaha and Wien2k Users,
i want to calculate the optical properties using Wien2k_11.
everything is ok, but when i execute 'x optic' commend, the following
error has occurred:
cat: BaSn.875Mn.symmat_1up: No such file or directory
cat: BaSn.875Mn.mommat_1up: No such file or directory
cat: BaSn.875Mn.mat_diag_1up: No such file or directory
cat: BaSn.875Mn.mme_1up: No such file or directory
rm: cannot remove `BaSn.875Mn.symmat_1up': No such file or directory .
I'll appreciate it if you could assist me in this regrad and reply my
email.
Regards
Shahram
--
?? ??? ?? ??? ??? ??? ?? ? ??? ?
?? ?? ?? ??? ??
??? ?? ? ?? ??? ? ? ???
/$h at hr@m mailto:$h at hr@m/
___
Wien mailing list
Wien at zeus.theochem.tuwien.ac.at mailto:Wien at
zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
--
Soumyajyoti Haldar, PhD Student
Department of Physics and Astronomy, Materials Theory
?ngstr?m Laboratory, Office ?13235 | Uppsala University
Box 516, SE-75120, Uppsala, SWEDEN
Phone: (+46) 18 471 5860
Mobile: (+46) 070 0399 394
http://www.physics.uu.se/en/page/soumyajyoti-haldar
___
Wien mailing list
Wien at zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
___
Wien mailing list
Wien at zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
--
P.Blaha
--
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300 FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.atWWW: http://info.tuwien.ac.at/theochem/
--
[Wien] x optic error
Dear Prof. Blaha,
How we can get the modified file? Will you update the file after
modification in the download section of the site ?
On Tue, Jun 5, 2012 at 3:56 PM, Peter Blaha pblaha at
theochem.tuwien.ac.atwrote:
You are absolutely right. $SCRATCH is not used consistently in x_lapw and
opticpara
I'll add ${scratch} in front of all $case.symmat_$i$updn lines (and
similar for other files)
in opticpara_lapw.
Am 05.06.2012 15:23, schrieb Gavin Abo:
Dear Prof. Blaha and Wien2k Developers,
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?
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).
$WIENROOT/x_lapw
line 807:
3, '${scratch}$file.symmat$updn' , 'UNKNOWN', 'FORMATTED', 0
$WIENROOT/opticpara_lapw
line 154:
s/symmat/_$i/w .mist
lines 271-289:
set i = 1
while ($i = $maxproc)
if ( $i == 1 ) then
cat $case.symmat_$i$updn $case.symmat$updn
cat $case.mommat_$i$updn $case.mommat$updn
cat $case.mat_diag_$i$updn $case.mat_diag$updn
cat $case.mme_$i$updn $case.mme$updn
else
tail -n +2 $case.symmat_$i$updn $case.symmat$updn
tail -n +2 $case.mommat_$i$updn $case.mommat$updn
tail -n +2 $case.mat_diag_$i$updn $case.mat_diag$updn
tail -n +2 $case.mme_$i$updn $case.mme$updn
endif
rm $case.symmat_$i$updn
rm $case.mommat_$i$updn
rm $case.mat_diag_$i$updn
rm $case.mme_$i$updn
@ i ++
end
On 6/5/2012 5:11 AM, soumyajyoti haldar wrote:
Dear Prof. Blaha and Wien2k Users
I am also getting similar result. What may be the cause ?
On Thu, May 31, 2012 at 4:58 PM, shahram solimanpour
shsolimanpour at gmail.com mailto:shsolimanpour at
gmail.**comshsolimanpour at gmail.com
wrote:
Dear P.Blaha and Wien2k Users,
i want to calculate the optical properties using Wien2k_11.
everything is ok, but when i execute 'x optic' commend, the following
error has occurred:
cat: BaSn.875Mn.symmat_1up: No such file or directory
cat: BaSn.875Mn.mommat_1up: No such file or directory
cat: BaSn.875Mn.mat_diag_1up: No such file or directory
cat: BaSn.875Mn.mme_1up: No such file or directory
rm: cannot remove `BaSn.875Mn.symmat_1up': No such file or directory .
I'll appreciate it if you could assist me in this regrad and reply my
email.
Regards
Shahram
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Soumyajyoti Haldar, PhD Student
Department of Physics and Astronomy, Materials Theory
?ngstr?m Laboratory, Office ?13235 | Uppsala University
Box 516, SE-75120, Uppsala, SWEDEN
Phone: (+46) 18 471 5860
Mobile: (+46) 070 0399 394
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P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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Soumyajyoti Haldar, PhD Student
Department of Physics and Astronomy, Materials Theory
?ngstr?m Laboratory, Office ?13235 | Uppsala University
Box 516, SE-75120, Uppsala, SWEDEN
Phone: (+46) 18 471 5860
Mobile: (+46) 070 0399 394
[Wien] x optic error
Dear P.Blaha and Wien2k Users, i want to calculate the optical properties using Wien2k_11. everything is ok, but when i execute 'x optic' commend, the following error has occurred: cat: BaSn.875Mn.symmat_1up: No such file or directory cat: BaSn.875Mn.mommat_1up: No such file or directory cat: BaSn.875Mn.mat_diag_1up: No such file or directory cat: BaSn.875Mn.mme_1up: No such file or directory rm: cannot remove `BaSn.875Mn.symmat_1up': No such file or directory . I'll appreciate it if you could assist me in this regrad and reply my email. Regards Shahram -- ?? ??? ?? ??? ??? ??? ?? ? ??? ? ?? ?? ?? ??? ?? ??? ?? ? ?? ??? ? ? ??? *$h at hr@m* -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120531/b1ec6fe6/attachment.htm
