Dear Dr. NORIZA Ahmad Zabidi
The trouble you asked is tha same of me.
WIEN2k_08.2 has bugs in userconfig_lapw.
You should try newest version, WIEN2k_08.3.
We are using Wien2k 2008 version with fortran compiler 10.0.026 and math
kernel library 9.1.023
We are having a problem regarding
/attachments/20081006/0d3d8adb/attachment.html
this feature?
Gavin
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Dear Gavin,
It is not available in w2web, but you may run it from the console:
/path/to/wien2k/hex2rhomb
regards,
Yurko
2008/10/6 Gavin Abo gsabo at bama.ua.edu:
Running wien2k_08.3. The user guide, dated April 24, 2008, says that
hex2rhomb can be found under Run Programs, then Other Goodies
Sorry, this is not correct in the UG.
This utility was included in the old WIEN in a BOX interface (of
WIEN97), but was never included in W2WEB.
Just open a terminal window and type hex2rhomb. It will ask zou for some
h,k,l in hex coord. and print the converted ones.
Thanks for reporting
Dear Robert
Thanks a lot for your help I tried both switches together and it seems to
work.
Regards
Sergio Y. Rodriguez
Physics Department
Texas AM University
hi,
How can I get the
A_lm, B_lm and C_lm coeffients for holes? Or the wavefunction for
holes?
Did you use ALM switch for lapw2?
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