question

Carlos Vazquez Vazquez ( qfmatcvv@usc.es )
Fri, 16 Feb 1996 11:23:33 +0100 (MET)

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Hello,
I am a phD student and I am starting to work with RIETAN94
program, but I have up to now some problems with it.
In the input parameters file I have to specify the space group and
the set number. My question is if the set is related with the extended
Hermann-Mauguin symbols.
In my case the space group is number 62 and the subgroup PBNM
(which is the 3rd extended Hermann-Mauguin set). When i tried to run the
program with this values (A-62-3), the computer gives me a message error
"bad space group", and it runs OK only for the set number 1 (PNMA). In
this case, the Wyckoff position is changed from 4b (PBNM) to 4a
(PNMA).
I do not know how to solve this trouble. Does somebody know
how?
Thanks in advance

Carlos Vazquez Vazquez
Dept. Quimica-Fisica
Facultade Quimica
Universidade Santiago Compostola
Espanha (SPAIN)

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