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Dear all:<br><br>
A colleague of mine (Sergio Palacios) has recently experienced
trouble with FSM calculations, as you can see in a previous thread. I
have just downloaded the newer version of the code, WIEN2k_05.4 and
installed it to a Pentium IV 3.4 GHz PC, with 2 GB RAM, with Ubuntu 5.04
distribution running. I have rerun an old FSM calculation which worked in
a machine with an old Red Hat version installed (don't know exactly
which) and WIEN2k_03. The problem I find is the same as my colleague,
that is, the calculation reaches a normal end, but the final magnetic
moment is not the fixed one. For instance, if the FSM value is 2.2 it
reaches 2.5 and if it is 0.1 it reaches 0.49. Seems as if the FSM code
stops when finding some kind of local minimum, but not the requested
global one (I'm just guessing, I don't really know how this script
works). Funny enough, I have reinstalled in the same machine running
Ubuntu the old WIEN2k_03 code. And it also fails, reaching the same wrong
value of magnetic moment!!. So the problem seems to be in the Linux
distribution, something perhaps to do with a library we have not
installed or...?? We have also tried to run the calculation in a laptop
computer running Suse 9.2 and we find the same problem.<br>
Could anybody tell us if there is a patch or anything we can apply in
order for this script to work properly?<br>
Thanks in advance.<br>
Roberto.<br><br>
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Roberto Iglesias Pastrana<br>
Despacho 17<br>
Área de Física Aplicada<br>
Departamento de Física<br>
Facultad de Ciencias de la Educación<br>
Universidad de Oviedo<br>
C/ Aniceto Sela, s/n 33005 Oviedo<br>
Tel.: 34 (9) 85102898<br>
34 (9) 85458136<br>
Fax: 34 (9) 85103324<br>
<font color="#0000FF">e-mail: roberto@uniovi.es</font> <br>
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roberto@pinon.ccu.uniovi.es</font> <br>
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