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List of Threads Topics Author Replies Views Last Modified Optical propertiese of Graphene Smart 1 1939 2015/03/10 13:36 by T. Ozaki What does d1~d5 mean in PDOS file? Seungjin 2 2232 2015/03/04 13:00 by Seungjin openmx and linux distribution Mosahhar 10 2880 2015/03/02 19:03 by marcindulak Output files on HPC facilities Mauro Sgroi 1 1847 2015/02/26 09:40 by T. Ozaki DFT+U: different oxidation states on the same element (charge ordering) Mauro Sgroi 2 2146 2015/02/23 23:27 by Mauro Sgroi Pseudo-potential for fictitious atoms PR 3 2466 2015/02/23 03:21 by PR Patch 3.7.10 to OpenMX Ver. 3.7 T. Ozaki 0 1926 2015/02/21 23:16 by T. Ozaki Patch 3.7.9 to OpenMX Ver. 3.7 T. Ozaki 2 2152 2015/02/21 22:50 by marcindulak atomic structure for NEGF Darek 5 2465 2015/02/20 19:31 by Darek Small problem in bandgnu13 file Seungjin 1 1865 2015/02/20 16:57 by T. Ozaki installation problem Mosahhar 1 2149 2015/02/20 13:18 by T. Ozaki OpenMX consumes memory and dies Artem Pulkin 1 2060 2015/02/20 13:15 by T. Ozaki Compile Error! masoud 12 9088 2015/02/19 00:05 by Masoud scf convergence problem on Iron based supercell consisting of 484 atoms Yueqiang Gu 5 2317 2015/02/11 11:47 by Yueqiang Gu scf convergence problem of Pt(111) slab Wang Yuanqing 10 3405 2015/02/10 21:45 by T. Ozaki pseudo-atomic basis orbitals Riemann 1 2604 2015/02/10 21:38 by T. Ozaki how to read *.md file using XCrySDen software Wang Yuanqing 3 2760 2015/02/10 19:13 by Denis Music Total energy in NEGF Artem Pulkin 6 1905 2015/01/29 18:56 by Artem Pulkin Transmisson through silicene Vahid 0 1949 2015/01/22 20:23 by Vahid MLWF obtained from OpenMX Guodong Yu 4 2367 2015/01/22 11:10 by Guodong Yu Electrostatic potential between leads in NEGF transport calculations Konstantin Khromov 2 1923 2015/01/20 19:45 by Konstantin Khromov gcc error William 1 1930 2014/12/15 14:27 by T.V.T. Duy problem about example Gly_NH.dat Wang Yuanqing 2 1982 2014/12/12 10:46 by Yuanqing Wang The 3rd OpenMX/QMAS workshop T. Ozaki 0 2069 2014/12/11 23:56 by T. Ozaki mismatched energy values on same symmetry points Kuraya 3 1956 2014/12/11 22:12 by T. Ozaki no error no run! masoud 1 1758 2014/12/11 01:24 by Artem Pulkin md calculation error Wang Yuanqing 1 2114 2014/12/10 19:09 by Artem Pulkin PAO and VPS for Carbon Konstantin Khromov 2 2212 2014/11/27 06:26 by T. Ozaki Doctor Konstantin Khromov 1 1877 2014/11/26 20:29 by Konstantin Khromov INput file for Bi2Se3 ANANT 1 2321 2014/11/24 20:12 by Artem Pulkin Writing the code for (1,1,1) surface for any crystal ANANT 1 1836 2014/11/23 08:29 by T. Ozaki Question about non-collinear MLWF calculation Limillas 1 2900 2014/11/23 08:26 by T. Ozaki VPS and PAO for Terbium M. M. Anas 2 1982 2014/11/21 19:05 by M. M. Anas NEGF and insulators Artem Pulkin 1 2060 2014/11/21 00:09 by T. Ozaki Fe spin numbers Sepideh 2 2048 2014/11/15 02:12 by sepideh discrepancies results between openmx-siesta-vasp on slab calculation without vdw Duverger Eric 2 2910 2014/11/14 06:30 by Duverger I had some error when I tried to install openMX Wang Yuanqing 2 2300 2014/11/12 15:01 by Yuanqing Wang Transmission Through Silicene Vahid 1 2357 2014/11/03 19:12 by Artem Pulkin Installing Openmx with Ifort and Icc Vahid 2 2841 2014/10/31 22:23 by Vahid including hybrid functional Mosahhar 0 2663 2014/10/28 16:17 by Mosahhar DFT-D2 Julieth 2 2380 2014/10/28 04:59 by Julieth problem with band interpolation using HS.out M. Chen 1 3525 2014/10/27 22:48 by T. Ozaki O(N) method in Openmx Chen 1 2694 2014/10/27 22:41 by T. Ozaki patches for gcc-4.8.3/4.9.1 marcindulak 1 2497 2014/10/27 22:30 by T. Ozaki Optimized norm-conserving Vanderbilt pseudopotentials chrinide 1 3086 2014/10/27 22:26 by T. Ozaki localised and itinerant electron specification Tamal Goswami 1 3159 2014/10/27 22:18 by T. Ozaki Compile Error Hossein 1 9178 2014/09/25 18:43 by Artem Pulkin Transport Properties in Charged Compounds Leone 2 2346 2014/09/16 01:21 by Leone problem with graphene Nehmat 1 3073 2014/09/15 22:33 by Artem Pulkin Segmentation fault : NEGF step.1 The calculations for leads Lee 1 3115 2014/09/15 22:01 by Artem Pulkin

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