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Postings for `bloch': band structure of electron states in a periodic potential
We urge you to send comments, bug reports, suggested program modifications, novel ways to use the programs, and interesting presets using this posting form or by e-mail to sss@ruph.cornell.edu.
8.2 -- 11/29/00 -- Coordinate handedness
The "red fan" plots of the wave function (psi plots) are inconsistent with the "phase of psi" plots if you choose to adopt the conventional right-handed coordinate system for the "psi" plots. We'll leave you to decide whether we were trying to make things dificult for you by using a left-handed coordinate system or were simply careless.
postings log.
8.1 -- 3/19/99 -- A Windows Bug --but see update 1.11
"bloch" will crash if you ask for a band calculation with the "E-max" set to too low a value. If you are using the revised version (allowing low resolution) of the SSS, to fix this problem download bloch.exe and replace the bloch.exe file in your sss/winbin directory with this corrected file. If you wish to recompile the program, you should also replace the bloch.c file in the compile/sss/src/bloch directory with the corrected bloch.c file.
This bug is on the CD with the revised program and on earlier versions of the updater which could be used to replace the original (high resolution only) version of the software with the newer version. This bug is ALSO in the original version (Windows only) of the SSS software. We have not written a fix for the original version and suggest a full update to the newer version of the SSS if this bug is causing you problems.
postings log.
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