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[archimedes-discuss] bug in Archimedes AlAs material

From: phil marsh
Subject: [archimedes-discuss] bug in Archimedes AlAs material
Date: Sat, 6 Sep 2008 23:30:27 -0700 (PDT)

I am running Archimedes 0.8.0 on Fedora 7 as shown below:

address@hidden PHEMT]$ uname -a
Linux Sibyl #1 SMP Thu May 15 00:02:29 EDT 2008 x86_64 x86_64 
x86_64 GNU/Linux

My machine is running an Intel quad core with 4GB RAM.
Attached are the input (bulk.input) and the resulting output to the command 
line redirected to the attached file output.txt.
The input file was to test the bulk properties of the AlAs material and this 
file was shipped along with the Archimedes source. I ran it unmodified as 
shipped and it produces a segmentation fault in Archimedes.
I had been prompted to do this because of strange results obtained when 
including AlAs in heterojunction PHEMT devices.
With AlAs, and also with AlP and GaP, I notice that the potential increases in 
an unstable manner. 
So far, I've seen frank errors with only AlAs.
In my thesis work, I'd done 1d Monte Carlo simulations and had seen the Poisson 
solution grow uncontrollably. It seemed it was a bug in the Poisson solver but 
I can't recall what. Apparently the GaP, AlP, and AlAs materials have something 
strange about their coding for their dielectric properties or bandgaps?
I'm also wondering if there is additional documentation available to clarify 
the algorithm as to what subroutines call what etc...
If the software seems tractable I might like to contribute with additional 
materials, etc.. I would be a frequent user.

Attachment: bulk.input
Description: Binary data

Attachment: output.txt
Description: Text document

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