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List of Threads Topics Author Replies Views Last Modified Transport Properties in Charged Compounds Leone 2 1087 2014/09/16 01:21 by Leone problem with graphene Nehmat 1 1436 2014/09/15 22:33 by Artem Pulkin Segmentation fault : NEGF step.1 The calculations for leads Lee 1 1809 2014/09/15 22:01 by Artem Pulkin installation problem Khalid 8 18872 2014/09/10 11:14 by T.V.T. Duy lapack subroutines for diagonization John Chan 1 763 2014/08/29 18:36 by Artem One more NEGF issue Artem 13 3258 2014/08/25 21:03 by Artem Dipole correction for slab calculation Sung Beom Cho 5 3595 2014/08/21 16:51 by T. Ozaki FFT of atomic orbitals M. Chen 1 882 2014/08/20 09:25 by T. Ozaki One more question about NEGF performance Artem 1 1622 2014/08/18 18:17 by Artem bandstructure of GaAs Zahra 1 3126 2014/08/11 17:13 by T. Ozaki ADPACK calculations for ions etc. M. O. 1 1083 2014/08/11 17:09 by T. Ozaki Gold nanowire NEGF simulation no convergence Hassan 3 3902 2014/08/09 05:43 by Hassan Farooq MPSH enabled OPENMX Jaber Jahanbin 0 1509 2014/06/22 22:48 by Jaber Jahanbin Bi2Te3 topological insulator Artem 3 4338 2014/06/21 10:11 by T. Ozaki small residule charges after SCF is completed Chen 6 1329 2014/06/16 15:24 by T. Ozaki NEGF Convergence problem in Magnetic junction Umar 3 2441 2014/06/10 18:36 by Artem NEGF Convergence problem Umar 0 3016 2014/06/05 17:59 by Umar molecular-projected self-consistent Hamiltonian (MPSH) David Sharpe 2 3771 2014/06/02 17:47 by Sharpe & Afshari Spin Polarization NEGF Calculation Umar 12 4497 2014/05/30 23:48 by Umar Present wf in real space Artem Pulkin 6 2961 2014/05/29 21:31 by T. Ozaki MPI error in cluster SCF eigenvaluesolver (OpenMX3.7) Jae Nyeong Kim 1 1478 2014/05/27 23:50 by Artem Bug in MIN/MAX macros causing incorrect results Åke Sandgren 1 1216 2014/05/23 22:28 by T. Ozaki Piloting over-all transmission of the system Umar 1 2645 2014/05/23 21:17 by Artem EvsLC David G. 1 1149 2014/05/20 16:32 by T. Ozaki stop without scf convergence and ESM problems chi 1 4733 2014/05/20 16:23 by T. Ozaki explanation of transmission khan 1 1558 2014/05/16 18:50 by Artem Question about vector unity cell in Au(1 1 1) surface Leone 5 3442 2014/05/12 22:17 by Artem OpenMX program automatically exit chow 0 2967 2014/05/12 12:01 by chow Files *.bulk.xyz Leone 2 2166 2014/05/03 01:33 by Leone MPSH Afshari 0 25875 2014/04/24 05:00 by Afshari Relaxation of MoS2 Artem 9 6809 2014/04/16 08:52 by T. Ozaki Vacuum level Alfonso Sanchez 3 9243 2014/04/16 06:28 by Alfonso Sanchez problem with calculation of forces Andrzej Lusakowski 1 5533 2014/04/14 15:33 by T. Ozaki non-collinear DFT: problem in fixing spin orientation Tamal Goswami 3 1817 2014/04/14 15:29 by T. Ozaki Problem in making DosMain file DUONG Dinh Hiep 1 1799 2014/04/14 15:27 by T. Ozaki Installation problem of openmx3.7 on fedora core 19 Md. Mehboob Alam 1 1081 2014/04/10 02:16 by Masoud == Artem Pulkin 3 5719 2014/03/17 17:14 by T. Ozaki Problem about Graphene wdaobin 1 1464 2014/03/17 17:06 by T. Ozaki pseudopotential and atomic basis dai 1 5614 2014/03/17 16:51 by T. Ozaki Visualization of OpenMX data Denis Music 1 1608 2014/03/17 16:48 by T. Ozaki Change the number of data point in Density of States calculation DUONG Dinh Hiep 1 1342 2014/03/17 16:36 by T. Ozaki Optimised ZnO (1010) nonpolar surface Moh. Adhib Ulil Abso 3 2414 2014/02/20 12:13 by Moh Adhib Ulil Abso Patch 3.7.8 to OpenMX Ver. 3.7 T. Ozaki 0 1894 2014/02/17 12:16 by T. Ozaki Current in *.current file from NEGF J 1 1564 2014/02/07 15:35 by T. Ozaki Running openMX on Cray XC30 Yu Xie 2 1585 2014/02/07 04:43 by Yu Xie unit of cube file J 3 2985 2014/01/31 23:32 by J Patch 3.7.7 to OpenMX Ver. 3.7 T. Ozaki 0 4805 2014/01/31 17:40 by T. Ozaki Kohn Sham energy levels and Hartree potential Le The Anh 9 3834 2014/01/29 18:34 by Le The Anh Exchange coupling of Fe atoms- first nearest neighbor Kamaram Munira 1 5376 2014/01/28 09:47 by T. Ozaki pseudopotential for positive charged atoms JT 1 1571 2014/01/28 09:44 by T. Ozaki

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