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<div dir="auto">Dear Matthew,</div><div dir="auto"><br></div><div dir="auto">I have simmilar problém with the data2config.</div><div dir="auto"><br></div><div dir="auto"><br><br>the data2config -rmc3 produce error massages without completion the cfg <br>file. The options -rmc6o and the -rmc6f works as expected.<br><br>data2config -rmc3 -size 50 -sort -rect Sn1Fe3.cif<br><br><br>the Sn1Fe3.cif I used from the tutorial.<br><br><br>Best regards<br><br>Karel Saksl</div><div dir="auto"><br></div><div dir="auto"><br></div><div dir="auto"><br></div><div id="composer_signature" dir="auto"><meta http-equiv="Content-Type" content="text/html; charset=UTF-8"><div dir="auto">__________________________________________</div>Ing.Karel Saksl, DrSc.<br dir="auto"><br dir="auto">Institute of Materials Research<br dir="auto">Slovak Academy of Sciences<br dir="auto">Watsonova 47<br dir="auto">040 01 Kosice<br dir="auto">Slovak republic<br dir="auto"><br dir="auto">room 605<br dir="auto">Deputy Director for Science<br dir="auto">Head of Scientific Division - Metallic systems<br dir="auto"><br dir="auto">phone: <a href="tel:+421-55-792-2457" original_font_attr="-1" original_line_height_attr="" dir="auto">+421-55-792-2457</a><br dir="auto">fax: <a href="tel:+421-55-792-2408" original_font_attr="-1" original_line_height_attr="" dir="auto">+421-55-792-2408</a><br dir="auto">e-mail: <a href="mailto:ksaksl@saske.sk" original_font_attr="-1" original_line_height_attr="" dir="auto">ksaksl@saske.sk</a><br dir="auto"></div><div dir="auto"><br></div><div><br></div><div dir="auto" style="font-size:100%;color:#000000"><div>-------- Pôvodná správa --------</div><div>Od: "Tucker, Matthew G. via rmcprofile-users" <rmcprofile-users@shadow.nd.rl.ac.uk> </div><div>Dátum: 5. 8. 2020 17:02 (GMT+01:00) </div><div>Komu: rmcprofile-users@rmcprofile.org </div><div>Kópia: "Tucker, Matthew G." <tuckermg@ornl.gov> </div><div>Predmet: Re: [RMCProfile-users] data2config problem </div><div><br></div></div>Dear Christoph, <br><br>Please can you send me a copy of the cif file and rmc6f file data2config it produced to my email (tuckermg@ornl.gov) so we can look into what is going on. <br><br>Thanks,<br>Matt<br><br>On 8/5/20, 5:05 AM, "rmcprofile-users on behalf of Salzmann, Christoph via rmcprofile-users" <rmcprofile-users-bounces@shadow.nd.rl.ac.uk on behalf of rmcprofile-users@shadow.nd.rl.ac.uk> wrote:<br><br> Dear all,<br> I am making rmc6f files from a cif file. However, the rmc6f file always contains more atoms than the original cif file. I compared with files I generated some time ago with an older version of RMCProfile - they were fine. When I run the old files with the new version of RMCProfile, I get the same problem. I was able to manually delete the incorrect atoms, but I thought I would let you know!<br> Best wishes, Christoph<br> -------------- next part --------------<br> An HTML attachment was scrubbed...<br> URL: <http://lists.rmcprofile.org/pipermail/rmcprofile-users/attachments/20200805/8142d7d1/attachment.htm><br> _______________________________________________<br> rmcprofile-users mailing list<br> rmcprofile-users@rmcprofile.org<br> http://lists.rmcprofile.org/mailman/listinfo/rmcprofile-users<br><br><br>_______________________________________________<br>rmcprofile-users mailing list<br>rmcprofile-users@rmcprofile.org<br>http://lists.rmcprofile.org/mailman/listinfo/rmcprofile-users<br></body></html>