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List of Threads Topics Author Replies Views Last Modified DFT+U: different oxidation states on the same element (charge ordering) Mauro Sgroi 2 862 2015/02/23 23:27 by Mauro Sgroi Pseudo-potential for fictitious atoms PR 3 911 2015/02/23 03:21 by PR Patch 3.7.10 to OpenMX Ver. 3.7 T. Ozaki 0 793 2015/02/21 23:16 by T. Ozaki Patch 3.7.9 to OpenMX Ver. 3.7 T. Ozaki 2 895 2015/02/21 22:50 by marcindulak atomic structure for NEGF Darek 5 1017 2015/02/20 19:31 by Darek Small problem in bandgnu13 file Seungjin 1 736 2015/02/20 16:57 by T. Ozaki installation problem Mosahhar 1 955 2015/02/20 13:18 by T. Ozaki OpenMX consumes memory and dies Artem Pulkin 1 813 2015/02/20 13:15 by T. Ozaki Compile Error! masoud 12 5143 2015/02/19 00:05 by Masoud scf convergence problem on Iron based supercell consisting of 484 atoms Yueqiang Gu 5 1012 2015/02/11 11:47 by Yueqiang Gu scf convergence problem of Pt(111) slab Wang Yuanqing 10 1447 2015/02/10 21:45 by T. Ozaki pseudo-atomic basis orbitals Riemann 1 959 2015/02/10 21:38 by T. Ozaki how to read *.md file using XCrySDen software Wang Yuanqing 3 1083 2015/02/10 19:13 by Denis Music Total energy in NEGF Artem Pulkin 6 557 2015/01/29 18:56 by Artem Pulkin Transmisson through silicene Vahid 0 764 2015/01/22 20:23 by Vahid MLWF obtained from OpenMX Guodong Yu 4 1000 2015/01/22 11:10 by Guodong Yu Electrostatic potential between leads in NEGF transport calculations Konstantin Khromov 2 777 2015/01/20 19:45 by Konstantin Khromov gcc error William 1 875 2014/12/15 14:27 by T.V.T. Duy problem about example Gly_NH.dat Wang Yuanqing 2 808 2014/12/12 10:46 by Yuanqing Wang The 3rd OpenMX/QMAS workshop T. Ozaki 0 930 2014/12/11 23:56 by T. Ozaki mismatched energy values on same symmetry points Kuraya 3 781 2014/12/11 22:12 by T. Ozaki no error no run! masoud 1 677 2014/12/11 01:24 by Artem Pulkin md calculation error Wang Yuanqing 1 835 2014/12/10 19:09 by Artem Pulkin PAO and VPS for Carbon Konstantin Khromov 2 924 2014/11/27 06:26 by T. Ozaki Doctor Konstantin Khromov 1 749 2014/11/26 20:29 by Konstantin Khromov INput file for Bi2Se3 ANANT 1 922 2014/11/24 20:12 by Artem Pulkin Writing the code for (1,1,1) surface for any crystal ANANT 1 703 2014/11/23 08:29 by T. Ozaki Question about non-collinear MLWF calculation Limillas 1 1105 2014/11/23 08:26 by T. Ozaki VPS and PAO for Terbium M. M. Anas 2 833 2014/11/21 19:05 by M. M. Anas NEGF and insulators Artem Pulkin 1 868 2014/11/21 00:09 by T. Ozaki Fe spin numbers Sepideh 2 838 2014/11/15 02:12 by sepideh discrepancies results between openmx-siesta-vasp on slab calculation without vdw Duverger Eric 2 1342 2014/11/14 06:30 by Duverger I had some error when I tried to install openMX Wang Yuanqing 2 1066 2014/11/12 15:01 by Yuanqing Wang Transmission Through Silicene Vahid 1 1072 2014/11/03 19:12 by Artem Pulkin Installing Openmx with Ifort and Icc Vahid 2 1672 2014/10/31 22:23 by Vahid including hybrid functional Mosahhar 0 935 2014/10/28 16:17 by Mosahhar DFT-D2 Julieth 2 1253 2014/10/28 04:59 by Julieth problem with band interpolation using HS.out M. Chen 1 2202 2014/10/27 22:48 by T. Ozaki O(N) method in Openmx Chen 1 1338 2014/10/27 22:41 by T. Ozaki patches for gcc-4.8.3/4.9.1 marcindulak 1 989 2014/10/27 22:30 by T. Ozaki Optimized norm-conserving Vanderbilt pseudopotentials chrinide 1 1619 2014/10/27 22:26 by T. Ozaki localised and itinerant electron specification Tamal Goswami 1 2001 2014/10/27 22:18 by T. Ozaki Compile Error Hossein 1 3403 2014/09/25 18:43 by Artem Pulkin Transport Properties in Charged Compounds Leone 2 1211 2014/09/16 01:21 by Leone problem with graphene Nehmat 1 1651 2014/09/15 22:33 by Artem Pulkin Segmentation fault : NEGF step.1 The calculations for leads Lee 1 1936 2014/09/15 22:01 by Artem Pulkin installation problem Khalid 8 19338 2014/09/10 11:14 by T.V.T. Duy lapack subroutines for diagonization John Chan 1 895 2014/08/29 18:36 by Artem One more NEGF issue Artem 13 3488 2014/08/25 21:03 by Artem Dipole correction for slab calculation Sung Beom Cho 5 4306 2014/08/21 16:51 by T. Ozaki

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