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Dear Wien2K users,<br><br>
First of all, I am a novice using this software and my experience with
Linux is very poor.<br>
I am trying to execute the TiC example with the compiled version of
Wien2K (I have not been able to compile the program myself yet). The
program is installed in a directory called /home/jabr/WIEN2K_03.<br>
My first trouble is that if I try to create a new session in another
directory the execution stops at the beginning of the calculation (even
the symmetry operations are not generated). However, if my session is
included in the above directory (./WIEN2K_03) the calculations run OK up
to the SCF calculation. At this moment the program stops again in LAPW1
with the following message:<br><br>
INILPW<x-tab> </x-tab>can't open unit : 10<br>
INILPW<x-tab> </x-tab>filename /WIEN2K_03.vector<br>
INILPW<x-tab> </x-tab>status : unknown form :
unformatted<br>
LAPW1<x-tab> </x-tab>INILPW aborted
unsuccessfully<br><br>
I have already seen this old error in the maling list corresponding to
several months ago but I can not understand the answers. When I type the
command "echo $SCRATCH" my computer responds with the message
"SCRATCH : undefined variable" so I type another command which
is "source .cshrc" and then the new response I get when I type
"echo $SCRATCH" is "/scratch".<br><br>
Why the program only works with sessions created in ./WIEN2K_03 ??<br>
How can I solve the program stop in LAPW1 ??<br><br>
I am really puzzled and I would be very acknowledged if someone could
help me with very simple explanations (which can be understood by someone
with very very poor experience in Linux).<br><br>
Please, excuse me if I am wasting your time.<br><br>
Regards,<br>
<x-sigsep><p></x-sigsep>
<b>==================================================</b> <br>
<b>Dr. Sergio L. Palacios</b> <br>
Profesor Titular de Física Aplicada (Associate Professor of Applied
Physics) <br>
Departamento de Física (Department of Physics) <br>
Facultad de Ciencias (College of Science) <br>
Universidad de Oviedo (University of Oviedo) <br>
Avda. Calvo Sotelo s/n <br>
C.P. 33007. Oviedo <br>
España (Spain) <br>
Teléfono (Phone): 34 + 98 5 10 28 48 <br>
Fax: 34 + 98 5 10 33 24 <br>
<font color="#FF0000">Correo electrónico (E-mail
address):</font><font color="#0000FF">sergio@pinon.ccu.uniovi.es</font>
<br>
<b>==================================================</b> <br>
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