[Wien] lapw1 stops without error - NETIQUETTE !!!!!
Jorissen Kevin
Kevin.Jorissen at ua.ac.be
Thu Mar 10 08:50:58 CET 2005
Dear Yushan Wang,
why are you cluttering up the mailing list with all your small e-mails, none of which contains much information, really?
Do you expect us to gather all the posts you've made in the past two or three weeks and try to figure out what you might be asking?
Guess what, we have a life, too.
'Lapw1 stops without problem, please give me your advice'.
Here's my advice : take some time and write us a really clear e-mail containing all necessary information in a well structured way.
This is not about how good your English is - you'll notice mine could use improvement - but about how to use a mailing list.
Some hints :
* I am running wien version xxx on a machine of type yyy with operating system zzz, fortran compiler aaa and math libraries bbb.
* The purpose of my calculations is to get quantity ccc.
* I am running this case (case.struct) using this input (here, case.in1 may be relevant? Certainly give things like XC potential, rkmax, size of k-mesh) and these commands (eg. : run_lapw -p -so from command line, or w2web).
* The program stops at this point, or produces suspicious output here ... This is the content of the error file / the case.dayfile / STDOUT. This is the bottom of the output file (like the part of case.output1 you show below).
* I have already tried the following things (bla bla bla) and they did or did not work, did or did not make any difference.
* Yes, I have browsed the archives AND READ THE USERS GUIDE and the FAQ pages Peter provides, but I couldn't solve my problem that way.
* If suggestions from the mailing list actually solve your problem (or you solve it some other way), would you please share that with us?
I will appreciate such an effort from you and from all other subscribers,
(in fact, I think it would not be bad to have an official "Netiquette" like the abinit mailing list)
kind regards,
Kevin.
Kevin Jorissen
EMAT - Electron Microscopy for Materials Science (http://webhost.ua.ac.be/emat/)
Dept. of Physics
UA - Universiteit Antwerpen
Groenenborgerlaan 171
B-2020 Antwerpen
Belgium
tel +32 3 2653249
fax + 32 3 2653257
e-mail kevin.jorissen at ua.ac.be
________________________________
Van: wien-admin at zeus.theochem.tuwien.ac.at namens Yushan Wang
Verzonden: do 10-3-2005 3:25
Aan: wien at zeus.theochem.tuwien.ac.at
Onderwerp: [Wien] lapw1 stops without error
Dear users
the lapw1 stops without any error. the folowing is the bottom of the
.output1.
..................................................................
LATTICE CONSTANTS ARE: 7.15262 35.76308 17.97886
K= 0 0 0 IND= 1
1. WAVE= 0 0 0 TAUP= 1.00000 0.00000
WARPING= -0.03304
0.00000
K= 0 -1 0 IND= 2
1. WAVE= 0 -1 0 TAUP= 1.00000 0.00000
WARPING= -0.06507
0.00000
2. WAVE= 0 1 0 TAUP= 1.00000 0.00000
WARPING= -0.06507
0.00000
K= 0 0 -1 IND= 2
1. WAVE= 0 0 -1 TAUP= 1.00000 0.00000
WARPING= -0.03471
0.00000
2. WAVE= 0 0 1 TAUP= 1.00000 0.00000
WARPING= -0.03471
0.00000
K= 0 -2 0 IND= 2
1. WAVE= 0 -2 0 TAUP= 1.00000 0.00000
WARPING= 0.05749
0.00000
2. WAVE= 0 2 0 TAUP= 1.00000 0.00000
WARPING= 0.05749
0.00000
K= 0 -1 -1 IND= 4
1. WAVE= 0 -1 -1 TAUP= 1.00000 0.00000
WARPING= 0.03306
0.00000
2. WAVE= 0 1 -1 TAUP= 1.00000 0.00000
WARPING= 0.03306
0.00000
3. WAVE= 0 -1 1 TAUP= 1.00000 0.00000
WARPING= 0.03306
0.00000
4. WAVE= 0 1 1 TAUP= 1.00000 0.00000
WARPING= 0.03306
0.00000
K= 0 -2 -1 IND= 4
1. WAVE= 0 -2 -1 TAUP= 1.00000 0.00000
WARPING= -0.02853
0.00000
2. WAVE= 0 2 -1 TAUP= 1.00000 0.00000
WARPING= -0.02853
0.00000
3. WAVE= 0 -2 1 TAUP= 1.00000 0.00000
WARPING= -0.02853
0.00000
4. WAVE= 0 2 1 TAUP= 1.00000 0.00000
WARPING= -0.02853
0.00000
K= 0 -3 0 IND= 2
1. WAVE= 0 -3 0 TAUP= 1.00000 0.00000
WARPING= -0.04693
0.00000
2. WAVE= 0 3 0 TAUP= 1.00000 0.00000
WARPING= -0.04693
0.00000
K= 0 -3 -1 IND= 4
1. WAVE= 0 -3 -1 TAUP= 1.00000 0.00000
WARPING= 0.02223
0.00000
2. WAVE= 0 3 -1 TAUP= 1.00000 0.00000
WARPING= 0.02223
0.00000
3. WAVE= 0 -3 1 TAUP= 1.00000 0.00000
WARPING= 0.02223
0.00000
4. WAVE= 0 3 1 TAUP= 1.00000 0.00000
WARPING= 0.02223
0.00000
K= 0 0 -2 IND= 2
........................................................................
your advice would be highly appreciatd
yushan
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