[Wien] Several (minor) bug fixes

[Stefan Löffler]

Dear list,

over the last couple of weeks and months, I found a few minor problems
and/or inconveniences, in particular in connection with w2web. Attached
are fixes for most of them.

*) SRC_w2web/htdocs/usersguide is a symlink to
/area51/WIEN2k_11/SRC_usersguide_html, which I guess on most systems
doesn't exist. Instead, I recommend turning it into a relative symlink
to ../../SRC_usersguide_html.

*) When using the program qtl, it opens the file case.in1c to see if it
is non-empty (in which case it performs complex calculations). This,
however, _produces_ case.in1c if it doesn't exist, which then causes
problems in w2web as there the _existance_ of case.in1c is enough to let
it switch to complex calculations. I worked around this by modifying the
`x` script to remove the created case.in1c when qtl finishes if the file
had not existed before. [patch in WIEN2k_BUGS.diff]

*) When the environment variable XCRYSDEN_TOPDIR is set, the item "[
view structure ]" appears in the navigation menu of w2web. However, the
actual content of XCRYSDEN_TOPDIR is ignored when launching xcrysden
(i.e., it is assumed that xcrysden is in the PATH) [patch in
WIEN2k_BUGS.diff]

*) There is a <br> missing in the navigation bar of w2web, causing
"[Execution>>]" to be printed next to the logo (depending on the frame
size) [patch in WIEN2k_BUGS.diff]

*) When using TELNES.3 with spin-polarized calculations, the output
files of `broadening` have no spin-dependent suffix. This results in (a)
output files getting overwritten and (b) plotting doesn't work. This is
fixed in the x script by modifying the broadening.def creation code
[patch in TELNES3_BUGS.diff]

*) For spin-polarized calculations, telnes produces files
case.outputelnesup / case.outputelnesdn. However, the web interface
erroneously looks for case.outputelnes. [patch in TELNES3_BUGS.diff]

*) There is a typo in the TELNES.3 web interface, causing the word
"lambda" to appear instead of the greek symbol that is used elsewhere.
[patch in TELNES3_BUGS.diff]

*) In the output of telnes, there is a line saying "lattice angles in
degrees", when afterwards they are given in rad. [patch in
TELNES3_BUGS.diff]

Hope this helps,
Stefan

-- 

Stefan Löffler                              Institute of Solid State Physics
Vienna University of Technology                         T: +43 1 58801-13815
Wiedner Hauptstraße 8-10 / A-1040 Wien                  F: +43 1 58801-13899
http://tinyurl.com/njcu47                                       DVR: 0005886

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