[Wien] vol-opt problem of spin-pol hematite
Hi Peter and all Wien users, Thanks for your help and sorry for late response. Will you help once more please? I want to calculate spin-polarised hematite. Its normal scf is o.k. But problem is in volume optimization. I have edited optimization. job script- by changing run_lapw to runsp_lapw uncommented x dstart. d start completed nicely. But then I have got error in lapw0 unknown with forrt1: severe (174):SIGSEGV, segmentation fault even at 0% volume optimization. I can?t detect what problem basically is it? Please suggest the remedy. I am using ifort 10.0.023 mkl 9.1.023 and I have performed ulimit stack size unlimited. Thanks in advance. Regards. Swati swati chaudhury swati at rcais.res.in wrote:Dear all Wien users, I have noticed some strange observations with Al2O3 supercell in Wien. I am little bit confused is there any problems in Wien or the problem is only for this particular rhombohedral system? For (222) supercell of Al2O3(167 R-3c space group)in w2web, When slab is given in x-dir,it is added with 'c' value(cell parameter). But slab is not added when it is putting in y-dir or z-dir.In cell-script,slab-addition is offered only in z-dir.No possibility of addition of slab in either x-dir or y-dir. The same observations have noticed with (221) and (111) type of Al2O3 supercell. Please tell me clearly basically what problem is it? Thanks in advance. Swati. ___ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20080124/902ed1ec/attachment.html
[Wien] A problem in a parallel execution of WIEN2k_8.1
Dear all: I have a problem in a parallel execution of lapw2. It looks like lapw0 and lapw1 were completed in parallel environment without any problem, but when it proceeds to lapw2, it aborts with an error message: -- LAPW2 - FERMI; weighs written remotemachine: Undefined variable. remotemachine: Undefined variable. remotemachine: Undefined variable. remotemachine: Undefined variable. cp: cannot stat `.in.tmp': No such file or directory rm: cannot remove `.in.tmp': No such file or directory rm: cannot remove `.in.tmp1': No such file or directory -- I believe hardware and mpich are properly configured and in fact other program run in parallel mode without any problem. So, I suppose the problem is originated from failure of my compilation of wien2k or setting parallel environment specific to wien2k. Any suggestion or comment is appreciated. Of course, a comment to point what I need to examine further is also really appreciated. Thank you in advance. Yours sincerely, Takashi
[Wien] lapw0 error in vol-opt of spin-polarised hematite
Hi Peter and all Wien users, Thanks for your help and sorry for late response. Will you help once more please? I want to calculate spin-polarised hematite. Its normal scf is o.k. But problem is in volume optimization. I have edited optimization. job script- by changing run_lapw to runsp_lapw uncommented x dstart. d start completed nicely. But then I have got error in lapw0 unknown with forrt1: severe (174):SIGSEGV, segmentation fault even at 0% volume optimization. I can?t detect what problem basically is it? Please suggest the remedy. I am using ifort 10.0.023 mkl 9.1.023 and I have performed ulimit stack size unlimited. Thanks in advance. Regards. Swati -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20080124/a477153f/attachment.html
[Wien] A problem in a parallel execution of WIEN2k_8.1
Dear Peter, I am running both k-point and mpi-parallel. .machine file is below -- 1:xps01:2 xps02:2 1:xps03:2 xps04:2 1:xps05:2 xps06:2 1:xps07:2 xps08:2 granularity:1 -- I did not set shared-memory machine during siteconfig_lapw. This is a cause of the incorrect compilation? Thanks Takashi Peter Blaha wrote: We need much more info. Are you running k-point parallel, or mpi-parallel or both together ? List your .machines file . Did you set shared-memory machine during siteconfig ? Change the first line in lapw2para_lapw and add a -xf (instead of -f) switch. This gives you lots of debugging info. oyama schrieb: Dear all: I have a problem in a parallel execution of lapw2. It looks like lapw0 and lapw1 were completed in parallel environment without any problem, but when it proceeds to lapw2, it aborts with an error message: -- LAPW2 - FERMI; weighs written remotemachine: Undefined variable. remotemachine: Undefined variable. remotemachine: Undefined variable. remotemachine: Undefined variable. cp: cannot stat `.in.tmp': No such file or directory rm: cannot remove `.in.tmp': No such file or directory rm: cannot remove `.in.tmp1': No such file or directory -- I believe hardware and mpich are properly configured and in fact other program run in parallel mode without any problem. So, I suppose the problem is originated from failure of my compilation of wien2k or setting parallel environment specific to wien2k. Any suggestion or comment is appreciated. Of course, a comment to point what I need to examine further is also really appreciated. Thank you in advance. Yours sincerely, Takashi ___ 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: +43-1-58801-15671 FAX: +43-1-58801-15698 Email: blaha at theochem.tuwien.ac.atWWW: 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 -- *** ? ? ???1? ?520-2393 ?2288 TEL077-586-8309 FAX077-587-6782 ***
[Wien] lapw0 error in vol-opt of spin-polarised hematite
Please do the following: 1) Do grep -e :IFFT *.scf0 and keep the result in a file. 2) Change the 3rd line of your case.in0 so it reads -1 -1 -12.00min IFFT-parameters, enhancement factor 3) Run lapw0 by itself (i.e. x lapw0 or x lapw0 -p). 4) Again do grep -e :IFFT *.scf0 and keep the result. 5) If 3) worked (no SIGSEV) please send the results of 1) and 4) then get on with your calculation. 6) If it did not work, please add -traceback to the compilation options for lapw0, recompile just this program and run it again. Please send the results of 1), 4) and the output once you have added -traceback On Jan 24, 2008 2:12 AM, swati chaudhury swati at rcais.res.in wrote: Hi Peter and all Wien users, Thanks for your help and sorry for late response. Will you help once more please? I want to calculate spin-polarised hematite. Its normal scf is o.k. But problem is in volume optimization. I have edited optimization. job script- by changing run_lapw to runsp_lapw uncommented x dstart. d start completed nicely. But then I have got error in lapw0 unknown with forrt1: severe (174):SIGSEGV, segmentation fault even at 0% volume optimization. I can't detect what problem basically is it? Please suggest the remedy. I am using ifort 10.0.023 mkl 9.1.023 and I have performed ulimit stack size unlimited. Thanks in advance. Regards. Swati ___ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- Laurence Marks Department of Materials Science and Engineering MSE Rm 2036 Cook Hall 2220 N Campus Drive Northwestern University Evanston, IL 60208, USA Tel: (847) 491-3996 Fax: (847) 491-7820 email: L-marks at northwestern dot edu Web: www.numis.northwestern.edu Commission on Electron Diffraction of IUCR www.numis.northwestern.edu/IUCR_CED
[Wien] strange time using -it switch
From the info you provide I can see: if ( 1 ) then set scratch=`echo $SCRATCH | sed -e 's/\/$//'`/ echo ./ sed -e s/\/$// endif cd ./ setenv PWD /scratch/zhang/test/100 Your scratch variable is set to ./ (i.e. the currend working dir). From PWD I can see that you run in /scratch/zhang/test/100 and vectors should reside in this directory. Is this ok ? Check if your vectors are really there and if your case is called 100. Otherwise the error is in the SCRATCH variable. if ( ! 0 ) then foreach i ( 100.vector* ) set i1=`echo $i |grep -v -e '\.old'` echo 100.vector grep -v -e \.old if ( 100.vector != ) then if ( ! -z 100.vector ) then if ( == ) then mv 100.vector 100.vector.old if ( 0 == 0 ) echo moving 100.vector to 100.vector.old echo moving 100.vector to 100.vector.old Here it moved 100.vector to 100.vector.old and it echos this to STDOUT, i.e. you should see a corresponding line on your window (or in the dayfile for a run_lapw). else endif endif end else exit 0 and here it exits without error. I cannot see any error. (Whatever this invalid null command is ...??) Invalid null command. LAPW1 END Invalid null command. LAPW2 END Invalid null command. CORE END Invalid null command. MIXER END ec cc and fc_conv 0 1 1 energy in SCF NOT CONVERGED [1]Done run -it -i 2 The run_lapw is never crashed, and it coverages very well. Regards, Yongsheng No!!! Not in run_lapw, but invec2old_lapw you should change -f to -fx Furthermore: your run_lapw crashed ? without stopping ??? as can be seen below. Similar error happened with your lapw1 ? Yongsheng Zhang schrieb: -- P.Blaha -- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-15671 FAX: +43-1-58801-15698 Email: blaha at theochem.tuwien.ac.atWWW: http://info.tuwien.ac.at/theochem/ --
[Wien] lapw0 error in vol-opt of spin-polarised hematite
He was saying that a previous runsp for this case conveges without problems. So either the changes in optimize.job were wrong (dstart -up/dn missing?; complex case, which needs -c ??) or the generated struct files are wrong (diff the generated and original struct file. Do you have symmetry operations set to zero ?, .) Laurence Marks schrieb: Please do the following: 1) Do grep -e :IFFT *.scf0 and keep the result in a file. 2) Change the 3rd line of your case.in0 so it reads -1 -1 -12.00min IFFT-parameters, enhancement factor 3) Run lapw0 by itself (i.e. x lapw0 or x lapw0 -p). 4) Again do grep -e :IFFT *.scf0 and keep the result. 5) If 3) worked (no SIGSEV) please send the results of 1) and 4) then get on with your calculation. 6) If it did not work, please add -traceback to the compilation options for lapw0, recompile just this program and run it again. Please send the results of 1), 4) and the output once you have added -traceback On Jan 24, 2008 2:12 AM, swati chaudhury swati at rcais.res.in wrote: Hi Peter and all Wien users, Thanks for your help and sorry for late response. Will you help once more please? I want to calculate spin-polarised hematite. Its normal scf is o.k. But problem is in volume optimization. I have edited optimization. job script- by changing run_lapw to runsp_lapw uncommented x dstart. d start completed nicely. But then I have got error in lapw0 unknown with forrt1: severe (174):SIGSEGV, segmentation fault even at 0% volume optimization. I can't detect what problem basically is it? Please suggest the remedy. I am using ifort 10.0.023 mkl 9.1.023 and I have performed ulimit stack size unlimited. Thanks in advance. Regards. Swati ___ 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: +43-1-58801-15671 FAX: +43-1-58801-15698 Email: blaha at theochem.tuwien.ac.atWWW: http://info.tuwien.ac.at/theochem/ --
[Wien] A problem in a parallel execution of WIEN2k_8.1
I haven't used this syntax for a long time (although it is supposed to work and a correct .machines file). Please test and change .machines to: 1:xps01 xps01 xps02 xps02 Furthermore do the -xf test. The message about remotemachine is clearly from the lapw2para csh-script and has nothing to do with compilation. oyama schrieb: Dear Peter, I am running both k-point and mpi-parallel. .machine file is below -- 1:xps01:2 xps02:2 1:xps03:2 xps04:2 1:xps05:2 xps06:2 1:xps07:2 xps08:2 granularity:1 -- I did not set shared-memory machine during siteconfig_lapw. This is a cause of the incorrect compilation? Thanks Takashi Peter Blaha wrote: We need much more info. Are you running k-point parallel, or mpi-parallel or both together ? List your .machines file . Did you set shared-memory machine during siteconfig ? Change the first line in lapw2para_lapw and add a -xf (instead of -f) switch. This gives you lots of debugging info. oyama schrieb: Dear all: I have a problem in a parallel execution of lapw2. It looks like lapw0 and lapw1 were completed in parallel environment without any problem, but when it proceeds to lapw2, it aborts with an error message: -- LAPW2 - FERMI; weighs written remotemachine: Undefined variable. remotemachine: Undefined variable. remotemachine: Undefined variable. remotemachine: Undefined variable. cp: cannot stat `.in.tmp': No such file or directory rm: cannot remove `.in.tmp': No such file or directory rm: cannot remove `.in.tmp1': No such file or directory -- I believe hardware and mpich are properly configured and in fact other program run in parallel mode without any problem. So, I suppose the problem is originated from failure of my compilation of wien2k or setting parallel environment specific to wien2k. Any suggestion or comment is appreciated. Of course, a comment to point what I need to examine further is also really appreciated. Thank you in advance. Yours sincerely, Takashi ___ 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: +43-1-58801-15671 FAX: +43-1-58801-15698 Email: blaha at theochem.tuwien.ac.atWWW: 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 -- P.Blaha -- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-15671 FAX: +43-1-58801-15698 Email: blaha at theochem.tuwien.ac.atWWW: http://info.tuwien.ac.at/theochem/ --
[Wien] elastic constant
I cannot verify these problems. Starting with your init-struct file, I get proper rhomb.struct and no errors. LinYan Li schrieb: Dear Stefaan, I want to calculate the elastic constants of flurite CaF2, but I meet the following errors: INITIALIZATION for RHOMBOHEDRAL CALCULATIONS next is setrmt Automatic determination of RMTs. Please specify the desired RMT reduction compared to almost touching spheres. Typically, for a single calculation just hit enter, for force minimization use 1-5; for volume effects you may need even larger reductions. Enter reduction in % please specify nn-bondlength factor: (usually=2) DSTMAX: 20.0 forrtl: severe (64): input conversion error, unit 20, file /home/lly/work/wien2k_work/CaF2/elast/rhomb/rhomb.struct Image PCRoutineLineSource nn 0045891F Unknown Unknown Unknown nn 00456F4A Unknown Unknown Unknown nn 0044BC1E Unknown Unknown Unknown nn 0042A99E Unknown Unknown Unknown nn 0042A5FF Unknown Unknown Unknown nn 004190D1 Unknown Unknown Unknown nn 0041797E Unknown Unknown Unknown nn 00404E99 Unknown Unknown Unknown nn 00402EAA Unknown Unknown Unknown libc.so.6 003C2361C4BB Unknown Unknown Unknown nn 00402DEA Unknown Unknown Unknown 0.000u 0.001s 0:00.00 0.0% 0+0k 0+0io 0pf+0w error: command /home/public/wien2k_06/nn nn.def failed atom Z RMT-max RMT Do you want to accept these radii; discard them; or rerun setRmt (a/d/r): r Automatic determination of RMTs. Please specify the desired RMT reduction compared to almost touching spheres. Typically, for a single calculation just hit enter, for force minimization use 1-5; for volume effects you may need even larger reductions. Enter reduction in % the rhomb.templ structure is: CaF2 R LATTICE,NONEQUIV.ATOMS: 2 MODE OF CALC=RELA unit=ang 7.295863 7.295863 17.960498 90.00 90.00 90.00 ATOM -1: X=0. Y=0. Z=0. MULT= 1 ISPLIT= 8 Ca NPT= 781 R0=0.5000 RMT=2.3000 Z: 20.0 LOCAL ROT MATRIX:1.000 0.000 0.000 0.000 1.000 0.000 0.000 0.000 1.000 ATOM 2: X=0.2500 Y=0.2500 Z=0.2500 MULT= 2 ISPLIT= 8 ATOM 2:X= 0.7500 Y=0.7500 Z=0.7500 F NPT= 781 R0=0.0001 RMT=2. Z: 9.0 LOCAL ROT MATRIX:0.000 0.000 0.000 0.000 0.000 0.000 0 SYMMETRY OPERATIONS: LOCAL ROT MATRIX has only two lines and in the tetra.templ file there is the same case. the init.struct is: CaF2 F LATTICE,NONEQUIV.ATOMS: 2225_Fm-3m MODE OF CALC=RELA unit=ang 10.317909 10.317909 10.317909 90.00 90.00 90.00 ATOM -1: X=0. Y=0. Z=0. MULT= 1 ISPLIT= 8 Ca NPT= 781 R0=0.5000 RMT=2.3000 Z: 20.0 LOCAL ROT MATRIX:1.000 0.000 0.000 0.000 1.000 0.000 0.000 0.000 1.000 ATOM 2: X=0.2500 Y=0.2500 Z=0.2500 MULT= 2 ISPLIT= 8 ATOM 2:X= 0.7500 Y=0.7500 Z=0.7500 F NPT= 781 R0=0.0001 RMT=2. Z: 9.0 LOCAL ROT MATRIX:0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0 NUMBER OF SYMMETRY OPERATIONS can you help me? thank you very much! yours, Linyan Li ___ 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: +43-1-58801-15671 FAX: +43-1-58801-15698 Email: blaha at theochem.tuwien.ac.atWWW: http://info.tuwien.ac.at/theochem/ --
[Wien] strange time using -it switch
Yes, I can find the vector file in my working directory, /scratch/zhang/test/100. You said I should see a corresponding line in my dayfile to show the 100.vector.old is converted. But I didn't. In my last e-mail, I only show the single CPU calculation. Here is a k-point parallel information, set useremote = 1 set remote = ssh set file=`pwd` pwd set file=100 set name = /home/zhang/wien-08-t/vec2old_lapw set bin = /home/zhang/wien-08-t if ( -e /home/zhang/wien-08-t/parallel_options ) then source /home/zhang/wien-08-t/parallel_options setenv USE_REMOTE 0 setenv WIEN_GRANULARITY 1 endif if ( 1 ) then set useremote = 0 endif if ( -p == -h ) goto help unset para if ( -p == -p ) then set para shift set machines=`grep init .processes | cut -f2 -d: | cut -f1 -d ' ' | xargs` grep init .processes cut -f2 -d: xargs cut -f1 -d endif set copy set updn if ( == -up ) set updn=up if ( == -dn ) set updn=dn if ( == -updn ) then if ( == -dnup ) then set scratch=./ if ( 1 ) then set scratch=`echo $SCRATCH | sed -e 's/\/$//'`/ echo ./ sed -e s/\/$// endif cd ./ setenv PWD /scratch/zhang/test/100 if ( ! 1 ) then set i=1 while ( 1 = 0 ) endif exit 0 In the k-point parallel case, why it didn't show move 100.vector 100.vector.old? Actually, I can find 100.vector_1, 100.vector_2, 100.vector_3, and 100.vector_1.old, 100.vector_2.old and 100.vector_3.old in my directory. But these 100.vector_1.old, 100.vector_2.old and 100.vector_3.old files are empty. Regards, Zhang Peter Blaha wrote: From the info you provide I can see: if ( 1 ) then set scratch=`echo $SCRATCH | sed -e 's/\/$//'`/ echo ./ sed -e s/\/$// endif cd ./ setenv PWD /scratch/zhang/test/100 Your scratch variable is set to ./ (i.e. the currend working dir). From PWD I can see that you run in /scratch/zhang/test/100 and vectors should reside in this directory. Is this ok ? Check if your vectors are really there and if your case is called 100. Otherwise the error is in the SCRATCH variable. if ( ! 0 ) then foreach i ( 100.vector* ) set i1=`echo $i |grep -v -e '\.old'` echo 100.vector grep -v -e \.old if ( 100.vector != ) then if ( ! -z 100.vector ) then if ( == ) then mv 100.vector 100.vector.old if ( 0 == 0 ) echo moving 100.vector to 100.vector.old echo moving 100.vector to 100.vector.old Here it moved 100.vector to 100.vector.old and it echos this to STDOUT, i.e. you should see a corresponding line on your window (or in the dayfile for a run_lapw). -- - Address: Fritz-Haber-Institut, Abt. Theorie Faradayweg 4-6 D-14195 Berlin (Germany) Phone:+49 30 8413 4818 Fax: +49 30 8413 4701 Email:zhang at fhi-berlin.mpg.de - 1-0.0735-11600-23.05
No subject
I changed some paths and options,
O: -FR -w -mp1 -prec_div -pad -ip -O3 -xT -DINTEL_VML
L: $(FOPT) -L/opt/intel/fce/10.1.008/lib -i-static -Bstatic =
-lguide_stats -
lsvml -Bdynamic -lpthread
R: -L/opt/intel/mkl/10.0.1.014/lib/em64t -Bstatic -lmkl_lapack =
-lmkl_em64t -
lguide -Bdynamic -lpthread
=20
It works better than 1st configuration. But after making structure
file(following the user guide), I cannot run the SCF calculation with =
error.
The errors are,
_ =20
[STDOUT]
FORTRAN STOP LAPW0 END
stop error
=20
[TiC.dayfile]
Calculating TiC in /data/wien2k_data/lapw/TiC
on G2MAT with PID 20754
=20
start (2008. 03. 12. (?? 11:51:32 KST) with lapw0 (40/99 to =
go)
=20
cycle 1 (2008. 03. 12. (?? 11:51:32 KST) (40/99 to go)
=20
lapw0 (11:51:32) 2.423u 0.052s 0:02.48 99.5% 0+0k 0+0io =
0pf+0w
lapw1 (11:51:34) Abort
1.469u 1.036s 0:00.65 383.0%0+0k 0+0io 0pf+0w
error: command /usr/local/wien2k/lapw1 lapw1.def failed
=20
stop error
_ =20
How could I compile this program successfully?
I did several options after compile failure on system. But in did not =
work
at all.
=20
=20
=20
Any helps on the question, would be appreciated.
=20
--=_NextPart_000_000C_01C8845C.9BA1F7C0
Content-Type: text/html;
charset=ks_c_5601-1987
Content-Transfer-Encoding: quoted-printable
html xmlns:v=3Durn:schemas-microsoft-com:vml =
xmlns:o=3Durn:schemas-microsoft-com:office:office =
xmlns:w=3Durn:schemas-microsoft-com:office:word =
xmlns:m=3Dhttp://schemas.microsoft.com/office/2004/12/omml; =
xmlns=3Dhttp://www.w3.org/TR/REC-html40;
head
meta http-equiv=3DContent-Type content=3Dtext/html; =
charset=3Dks_c_5601-1987
meta name=3DGenerator content=3DMicrosoft Word 12 (filtered medium)
!--[if !mso]
style
v\:* {behavior:url(#default#VML);}
o\:* {behavior:url(#default#VML);}
w\:* {behavior:url(#default#VML);}
.shape {behavior:url(#default#VML);}
/style
![endif]--
style
!--
/* Font Definitions */
@font-face
{font-family:Wingdings;
panose-1:5 0 0 0 0 0 0 0 0 0;}
@font-face
{font-family:Cambria Math;
panose-1:2 4 5 3 5 4 6 3 2 4;}
@font-face
{font-family:=B8=BC=C0=BA =B0=ED=B5=F1;
panose-1:2 11 5 3 2 0 0 2 0 4;}
@font-face
{font-family:\@=B8=BC=C0=BA =B0=ED=B5=F1;
panose-1:2 11 5 3 2 0 0 2 0 4;}
/* Style Definitions */
p.MsoNormal, li.MsoNormal, div.MsoNormal
{margin:0cm;
margin-bottom:.0001pt;
text-align:justify;
text-justify:inter-ideograph;
text-autospace:none;
word-break:break-hangul;
font-size:10.0pt;
font-family:=B8=BC=C0=BA =B0=ED=B5=F1;}
a:link, span.MsoHyperlink
{mso-style-priority:99;
color:blue;
text-decoration:underline;}
a:visited, span.MsoHyperlinkFollowed
{mso-style-priority:99;
color:purple;
text-decoration:underline;}
p.MsoListParagraph, li.MsoListParagraph, div.MsoListParagraph
{mso-style-priority:34;
margin-top:0cm;
margin-right:0cm;
margin-bottom:0cm;
margin-left:40.0pt;
margin-bottom:.0001pt;
mso-para-margin-top:0cm;
mso-para-margin-right:0cm;
mso-para-margin-bottom:0cm;
mso-para-margin-left:4.0gd;
mso-para-margin-bottom:.0001pt;
text-align:justify;
text-justify:inter-ideograph;
text-autospace:none;
word-break:break-hangul;
font-size:10.0pt;
font-family:=B8=BC=C0=BA =B0=ED=B5=F1;}
span.EmailStyle17
{mso-style-type:personal-compose;
font-family:=B8=BC=C0=BA =B0=ED=B5=F1;
color:windowtext;}
.MsoChpDefault
{mso-style-type:export-only;}
/* Page Definitions */
@page Section1
{size:612.0pt 792.0pt;
margin:3.0cm 72.0pt 72.0pt 72.0pt;}
div.Section1
{page:Section1;}
/* List Definitions */
@list l0
{mso-list-id:657003851;
mso-list-type:hybrid;
mso-list-template-ids:-730671098 1129217986 67698691 67698693 67698689 =
67698691 67698693 67698689 67698691 67698693;}
@list l0:level1
{mso-level-start-at:2;
mso-level-number-format:bullet;
mso-level-text:\F0D8;
mso-level-tab-stop:none;
mso-level-number-position:left;
margin-left:38.0pt;
text-indent:-18.0pt;
font-family:Wingdings;
mso-fareast-font-family:=B8=BC=C0=BA =B0=ED=B5=F1;
mso-bidi-font-family:Times New Roman;}
@list l1
{mso-list-id:2031098502;
mso-list-type:hybrid;
mso-list-template-ids:486298348 1074936852 67698713 67698715 67698703 =
67698713 67698715 67698703 67698713 67698715;}
@list l1:level1
{mso-level-text:%1\);
mso-level-tab-stop:none;
mso-level-number-position:left;
margin-left:38.0pt;
text-indent:-18.0pt;}
ol
{margin-bottom:0cm;}
ul
{margin-bottom:0cm;}
--
/style
!--[if gte mso 9]xml
o:shapedefaults
No subject
The people are right, since the last millenium kG are KO, to say it in the = words of a boxer. Indeed, I was also wondering about why the magnetic moments are not given i= n multiples of Australian birds. see also: Mike Jackson in The IRM Quarterly 9 (1999) page 1 (Institute for = Rock Magnetism !?). Ciao Gerhard Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tu= wien.ac.at] im Auftrag von morteza jamal [m_jamal57 at yahoo.com] Gesendet: Sonntag, 8. Juni 2008 14:51 An: wien at zeus.theochem.tuwien.ac.at Betreff: [Wien] question about unit of HFF Dear Wien2k users, There is a quastion about unit of hyperfine field for me. In Wein2k, the unit of HFF is KGauss while, the unit of experimental HFF is= KOersted. Some people say KG is equal to KO about hyperfine field. You think above sentence is correct. Please guide me. Your's Jamal. ___ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
No subject
case.inq file for QTL. The UG refers to 'QTL - technical report', but I have been unable to find it on the Wien2k site or the web. I suspect that I will need QSPLIT=-1 or 0, but do not know how to refer to the states in this basis. Thank you for any help, David A. Tompsett Quantum Matter Group Cavendish Laboratory
