[RMCProfile-users] get_atomeye problem

[helen.playford at stfc.ac.uk]

Hi Bo,

The "get_atomeye_srtio3" command actually calls a simple batch file to convert a ".rmc6f" style configuration to an atomeye-compatible ".cfg" one. It's not generic, so you can't use it out-of-the-box to convert your own files.

Can you tell us a bit more about what you're trying to do? To go from a .cif to a .cfg or .rmc6f file for RMCProfile you will want to use the program "data2config", and if you have a refined .cfg file you want to look at in Atomeye then the command is "rmc_to_atomeye". (There is not currently a tool to go directly from .rmc6f to atomeye, but it should not be difficult to incorporate this into the existing tools and we will aim to add it soon).

While both RMCProfile and Atomeye configurations use the .cfg extension they are actually quite different files.

Please get in touch with any further questions!

Best wishes,
Helen

-----Original Message-----
From: rmcprofile-users [mailto:rmcprofile-users-bounces at rmcprofile.org] On Behalf Of Bo Jiang
Sent: 06 September 2015 13:20
To: rmcprofile-users at rmcprofile.org
Subject: [RMCProfile-users] get_atomeye problem

Hi everyone,
         I'm new to RMCProfile. I have the following problem when I tried to transfer the .cif to .cfg with 'get_atomeye' command:
'get_atomeye_bifeo3' is not recognized as an internal or external command, operable program or bathc file.

But it is very strange that there are no error message using srtio3_5k.cif and rmcsf6_190k.cif in tutorial. 

Any advices on how to solve this problem would be greatly appreciated! 
Thank you,

Bo

Postdoc
K-II 227
NTNU, Department of Materials Science and Engineering Cell phone: (+47) 94
24 98 88

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