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Problem with Jx calculation Date: 2022/08/22 18:43 Name: Hemant Arora   <harora@ph.iitr.ac.in> This is the error when I ran Fe_Cluster_jx file mpirun -np 4 ./jx Fe_Cluster_jx.scfout Fe_Cluster_jx.config ******************************************************************** ******************************************************************** jx: code for calculating an effective exchange coupling constant J Copyright (C), 2003, Myung Joon Han, Jaejun Yu, and Taisuke Ozaki 2019, Asako Terasawa and Taisuke Ozaki This is free software, and you are welcome to redistribute it under the constitution of the GNU-GPL. ******************************************************************** ******************************************************************** Read the scfout file (Fe_Cluster_jx.scfout) The file format of the SCFOUT file: 0 The vesion is not supported by the current read_scfout

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Re: Problem with Jx calculation ( No.1 ) Date: 2022/08/22 21:11 Name: Naoya Yamaguchi Hi, You need to construct an scfout file through OpenMX 3.9 to use the latest version of `jx`. Regards, Naoya Yamaguchi

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