Yung-Jin Hu
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Hello,
I'm trying to run data2config on a *.cif file to make a version 6 type
configuration file, but the file isn't being made, despite the fact
that it seems data2config is parsing the *.cif file correctly.
>>>~/RMCProfile/MnO Test Case$ data2config -rmc6c manganosite.cif
data2config version 1.5b (October 2009)
Number of atoms = 2
Number of space group operators = 192
Please give supercell multipliers : 3 3 3
At this point I expect to see a manganosite.rmc6c file in the same
directory but I get nothing. Running:
>>>~/RMCProfile/MnO Test Case$ data2config -rmc6c -diag manganosite.cif
data2config version 1.5b (October 2009)
Number of atoms = 2
Number of space group operators = 192
Please give supercell multipliers : 3 3 3
gets me a manganosite.out file, but still no manganosite.rmc6c file.
I'd be more than happy to send the *.cif and *.out files if they will
help.
I am using data2config version 1.5b (October 2009) on Ubuntu 11.04,
Kernel Linux 2.6.38-8-generic and I'd love to use this convenient tool
to streamline my config file making. Thank you for your assistance.
-Joey