[Wien] QTL file editing to remove bands

Michael Gurnett michael.gurnett at kau.se
Fri Mar 25 04:07:39 CET 2005

I've written a small c++ program which I was hoping could remove bands from deeper atoms (I'm only interested in obtaining bands from the upper most layers). What I tried to do was simply take a list of atoms which I am interested in and keep these and set all other atoms in the QTL file to zero (tot and all other columns). However, this method does not seem to work. As my understanding of the Wien code is limited to say the least I may be going about this all wrong. Is it even possible to remove all bands that are undesirable using a script. Going through all bands manually using character plotting is not an option is this case.

Hope someone understands what I'm trying to do, and can possibly come with some ideas.

Thank you
Michael Gurnett
Dept. of Physics,
Inst. of Engineering Sciences, Physics and Mathematics,
Karlstad University,
S-651 88 Karlstad, SWEDEN
Tel. +46 54 700 2175, Fax. +46 54 700 1829,
Mobile phone +46 70 590 6495
E-mail: michael.gurnett at kau.se, WWW: http://www.ingvet.kau.se/fys/
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