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List of Threads Topics Author Replies Views Last Modified patches for gcc-4.8.3/4.9.1 marcindulak 1 1167 2014/10/27 22:30 by T. Ozaki Optimized norm-conserving Vanderbilt pseudopotentials chrinide 1 1794 2014/10/27 22:26 by T. Ozaki localised and itinerant electron specification Tamal Goswami 1 2133 2014/10/27 22:18 by T. Ozaki Compile Error Hossein 1 4022 2014/09/25 18:43 by Artem Pulkin Transport Properties in Charged Compounds Leone 2 1337 2014/09/16 01:21 by Leone problem with graphene Nehmat 1 1885 2014/09/15 22:33 by Artem Pulkin Segmentation fault : NEGF step.1 The calculations for leads Lee 1 2074 2014/09/15 22:01 by Artem Pulkin installation problem Khalid 8 19829 2014/09/10 11:14 by T.V.T. Duy lapack subroutines for diagonization John Chan 1 1027 2014/08/29 18:36 by Artem One more NEGF issue Artem 13 3712 2014/08/25 21:03 by Artem Dipole correction for slab calculation Sung Beom Cho 5 4906 2014/08/21 16:51 by T. Ozaki FFT of atomic orbitals M. Chen 1 1154 2014/08/20 09:25 by T. Ozaki One more question about NEGF performance Artem 1 1911 2014/08/18 18:17 by Artem bandstructure of GaAs Zahra 1 3434 2014/08/11 17:13 by T. Ozaki ADPACK calculations for ions etc. M. O. 1 1351 2014/08/11 17:09 by T. Ozaki Gold nanowire NEGF simulation no convergence Hassan 3 4290 2014/08/09 05:43 by Hassan Farooq MPSH enabled OPENMX Jaber Jahanbin 0 1792 2014/06/22 22:48 by Jaber Jahanbin Bi2Te3 topological insulator Artem 3 6037 2014/06/21 10:11 by T. Ozaki small residule charges after SCF is completed Chen 6 1730 2014/06/16 15:24 by T. Ozaki NEGF Convergence problem in Magnetic junction Umar 3 2885 2014/06/10 18:36 by Artem NEGF Convergence problem Umar 0 3457 2014/06/05 17:59 by Umar molecular-projected self-consistent Hamiltonian (MPSH) David Sharpe 2 4302 2014/06/02 17:47 by Sharpe & Afshari Spin Polarization NEGF Calculation Umar 12 5089 2014/05/30 23:48 by Umar Present wf in real space Artem Pulkin 6 3458 2014/05/29 21:31 by T. Ozaki MPI error in cluster SCF eigenvaluesolver (OpenMX3.7) Jae Nyeong Kim 1 1887 2014/05/27 23:50 by Artem Bug in MIN/MAX macros causing incorrect results Åke Sandgren 1 1486 2014/05/23 22:28 by T. Ozaki Piloting over-all transmission of the system Umar 1 2951 2014/05/23 21:17 by Artem EvsLC David G. 1 1397 2014/05/20 16:32 by T. Ozaki stop without scf convergence and ESM problems chi 1 5135 2014/05/20 16:23 by T. Ozaki explanation of transmission khan 1 1833 2014/05/16 18:50 by Artem Question about vector unity cell in Au(1 1 1) surface Leone 5 3760 2014/05/12 22:17 by Artem OpenMX program automatically exit chow 0 3382 2014/05/12 12:01 by chow Files *.bulk.xyz Leone 2 2556 2014/05/03 01:33 by Leone MPSH Afshari 0 26115 2014/04/24 05:00 by Afshari Relaxation of MoS2 Artem 9 8444 2014/04/16 08:52 by T. Ozaki Vacuum level Alfonso Sanchez 3 9924 2014/04/16 06:28 by Alfonso Sanchez problem with calculation of forces Andrzej Lusakowski 1 5863 2014/04/14 15:33 by T. Ozaki non-collinear DFT: problem in fixing spin orientation Tamal Goswami 3 2238 2014/04/14 15:29 by T. Ozaki Problem in making DosMain file DUONG Dinh Hiep 1 2238 2014/04/14 15:27 by T. Ozaki Installation problem of openmx3.7 on fedora core 19 Md. Mehboob Alam 1 1410 2014/04/10 02:16 by Masoud == Artem Pulkin 3 6039 2014/03/17 17:14 by T. Ozaki Problem about Graphene wdaobin 1 1859 2014/03/17 17:06 by T. Ozaki pseudopotential and atomic basis dai 1 5924 2014/03/17 16:51 by T. Ozaki Visualization of OpenMX data Denis Music 1 1949 2014/03/17 16:48 by T. Ozaki Change the number of data point in Density of States calculation DUONG Dinh Hiep 1 1633 2014/03/17 16:36 by T. Ozaki Optimised ZnO (1010) nonpolar surface Moh. Adhib Ulil Abso 3 2825 2014/02/20 12:13 by Moh Adhib Ulil Abso Patch 3.7.8 to OpenMX Ver. 3.7 T. Ozaki 0 2177 2014/02/17 12:16 by T. Ozaki Current in *.current file from NEGF J 1 1868 2014/02/07 15:35 by T. Ozaki Running openMX on Cray XC30 Yu Xie 2 1853 2014/02/07 04:43 by Yu Xie unit of cube file J 3 3502 2014/01/31 23:32 by J

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