Author Topic: Making interface of Si-Al2O3  (Read 1918 times)

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Offline shivgy

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Making interface of Si-Al2O3
« on: July 12, 2014, 07:16 »
Sir,
I have studied the tutorial "Building a Si-Si3N4 interface" and accordingly I am trying to build Si-Al2O3 interface. I have downloaded the cif file (please find the enclosure), but there is some errror in cif file. The builder could not open that file it says, "Error importing from the file :" (screen shot attached)

Offline Umberto Martinez

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Re: Making interface of Si-Al2O3
« Reply #1 on: July 14, 2014, 09:34 »
the bug mentioned here is still present http://quantumwise.com/forum/index.php?topic=2626.0#.U8OGjXWSzJ8
and unfortunately space group 167 falls in that problem.

Please, delete the line
_symmetry_space_group_name_H-M   'R -3 c :H'
from your cif file to be able to import it correctly.

Offline Anders Blom

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Re: Making interface of Si-Al2O3
« Reply #2 on: July 19, 2014, 07:37 »
Or just remove the ":" from that line, that's what the bug is about.
« Last Edit: July 19, 2014, 07:44 by Anders Blom »