yuanpeng

yuanpeng / rmc2cif

Last active 2 months ago

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yuanpeng revised this gist 2 years ago · 46e6f86

1 file changed, 1 insertion

rmc2cif (file created)
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1 + data2config -noannotate -order "[Ga P O]" -supercell "[1 1 1]" -cif gapo4_xray.rmc6f