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Hi,<br>
<br>
Any modern Linux distribution has some types of browsers and email
clients, so you don't need to reboot to write a message in the
mailing list. As your email in gmail.com domain, there is nice
interface in your email box, so you are able to write a mail from
there using e.g. Firefox.<br>
<br>
In case you are in Windows, you can use ext2fsd (ext2 file system
driver for Windows) to find your Linux files. It can be found here:
<a class="moz-txt-link-freetext" href="http://sourceforge.net/projects/ext2fsd/">http://sourceforge.net/projects/ext2fsd/</a>.<br>
<br>
Please provide error messages and case.struct file, and WIEN2k
experts could help you.<br>
<pre class="moz-signature" cols="72">Best regards,
- Maxim
</pre>
<br>
24.10.2010 20:05, Krisna Swaroop Sharma пишет:
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<td valign="top">Dear Wien Users<br>
We are using Wien2k10.1 version of the Wien
software. We have tried to run TiC and NaCl
problems. In case of TiC we noticed that we
are able generate TiC.struct and Initialize
calc successfully. but when we run SCF cycle
some times (only one time so far) it
converges and we obtain charge density
plots, density of states, x-ray spectra and
band structure plots, but often (other than
one successful attempt) the SCF cycle either
terminated after a few cycles and some times
after 11 to 14 cycles and on the screen we
get "BAD HEADER ERROR" and even on the top
right hand corner "error" is reflected.
Though desired convergence (i.e., 0.0001 in
energy or charge is seen to be achieved from
the TiC.day file). On running an
application in such a case "error in lapw1"
is seen on the screen when we edit TiC.scf1
and TiC.scf2. On checking lapw1_error file a
message found is "selection of k points at
4th line terminated". We took 1000 points in
xkgen and the points selected by us for band
structure with xcrysden were the same as
given in the manual Fig. 3.12.<br>
For NaCl we get "BAD HEADER ERROR" every
time though the SCF cycle converges to
desired accuracy (0.0001) in energy or
charge..<br>
We are using "RED HAT" Linux on a computer
with processor INTEL P4. We have installed
WINDOWS on one hard disc and LINUX with
WIEN2K10 on the other hard disc due to the
disc space problem. As Such only one works
at a time. That is why we are not able to
attach the copy of the error message.<br>
We are unable to resolve the problem as to
whether it is a system problem or the
problem with the software WIEN2K10 or some
problem in our execution (Though we are
exactly following the guidelines of the
WIEN2K Manual) or any other problem.. If any
body can provide us help, it will be greatly
appreciated.<br>
K.S Sharma<br>
The IIS University<br>
<<a moz-do-not-send="true"
href="mailto:kssrajindia@yahoo.co.in">kssrajindia@yahoo.co.in</a>><br>
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