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List of Threads Topics Author Replies Views Last Modified Problems with convergence Jan Rusz 3 2294 2012/11/30 22:54 by Jan Rusz Transport calculation in Fe-MgO-Fe system, LEFT lead cannot be superposed on the original cell Kamaram 0 1794 2012/11/27 02:24 by Kamaram Node in Be 2s wavefunction Dario Mitnik 0 1262 2012/11/22 23:48 by Dario Mitnik problem with 'Automatic Running Test" Surender 1 2687 2012/11/12 23:21 by 10412009 Input file creation for my molecules kannan 0 1180 2012/11/07 05:53 by kannan Input file for Bismuth Mehmood 0 1240 2012/11/06 21:54 by Mehmood Error: TRAN_Calc_SurfGreen in NEGF calculation jahanbin 0 1226 2012/11/05 15:52 by jahanbin Force on the nucleus of an atom under the external electric field H 2 1529 2012/10/29 01:41 by H Problem with Copper hard pseudopotential Alfonso 2 1715 2012/10/20 00:52 by Alfonso overlap probleme in negf calculations Jahanbin 0 1502 2012/10/15 04:36 by Jahanbin Installation problem Nourdine 12 7891 2012/09/27 11:31 by Anant NEGF calculation using restart P 0 1393 2012/09/25 01:59 by P Pseudopotential vps file Kwangwoo 2 1406 2012/09/24 16:47 by Kwangwoo How to calculate <Sx>, <Sy> and <Sz> with Open-Mx Jos&#233; Eduardo Padilha 1 5069 2012/09/23 18:33 by T.Ozaki erro: NEGF calculation with different right and left lead wang 1 1922 2012/09/23 17:00 by wang band structure of YN IDRIS 1 1690 2012/09/11 07:28 by T.Ozaki GaAs DOS Dariusz Chrobak 4 2185 2012/09/10 23:55 by T.Ozaki Gate voltage reference for NEGF transport calculations P 2 1749 2012/09/10 21:29 by P same PAOs Julio Aguiar 4 1549 2012/09/03 23:59 by Julio Aguiar Silicon cd force calculations Dariusz Chrobak 2 2486 2012/08/29 18:34 by Dariusz Chrobak installation with openmpi sanjeev 1 1348 2012/08/28 17:44 by T. Ozaki Unit using in exchange coupling parameter Pui-Wai Ma 1 425 2012/08/28 17:42 by T. Ozaki scf.Kgrid Vikas Sharma 1 2281 2012/08/28 16:20 by T.Ozaki Some question about small cluster calculations sanjeev 1 1753 2012/08/28 16:16 by T.Ozaki Ca lattice constant Sang 2 2540 2012/07/29 06:22 by Sang Large Dipole Moment Somesh Bhattacharya 2 1783 2012/07/25 13:55 by Somesh Bhattacharya Post complilation problem Mosahhar 2 1796 2012/07/25 05:51 by Mosahhar Calculation time Dmitry 1 1653 2012/07/25 00:51 by T.Ozaki The exact meaning of the natn array Konstantin Khromov 1 1316 2012/07/21 09:40 by T.Ozaki NEGF Lida 1 1538 2012/07/21 09:31 by T.Ozaki Log. derivs fail to converge in ADPACK Grigory Shamov 1 1445 2012/07/21 09:29 by T.Ozaki Tips on Compilation of OpenMX in POWER7 machines T.Ohwaki 0 1808 2012/07/05 11:58 by T.Ohwaki Murnaghan equation fit code question Ryan 1 2399 2012/07/03 13:29 by Anita openmx testrun results marius 5 2923 2012/07/02 15:37 by Somesh Bhattacharya What states of the d-orbitals correspond to the numbers (d1〜5) in output files? Yasutaka Nishida 2 2638 2012/06/06 13:07 by Yasutaka Nishida Correction of manual (ESM method) T.Ohwaki 0 1406 2012/05/24 16:56 by T.Ohwaki About platform. mt 2 1891 2012/05/19 20:35 by Mohamed Khalfallah restart of NEGF step marius 0 1432 2012/04/11 19:28 by marius How to Write Wavefunction zhe 1 1941 2012/04/03 21:26 by T. Ozaki how to calculate the equilibrium lattice constants (New to OPENMX) Raf 1 2052 2012/03/30 14:59 by JH Parq Problems with Transport Calculation Tamal Goswami 6 2813 2012/03/28 22:28 by Tamal Goswami ADPAC 2.2 vs 2.2 input differences? Grigory Shamov 3 2050 2012/03/24 03:00 by Grigory Shamov Calculation of magnetic anisotropy jlrch 1 2299 2012/03/23 08:35 by T. Ozaki A question about Restart files Kun Jiang 1 1409 2012/03/23 08:30 by T. Ozaki electrostatic Potential Dan 1 1410 2012/03/23 08:27 by T. Ozaki EXX JohnTse 1 1319 2012/03/23 08:23 by T. Ozaki GaAs test having discrepancies Grigory Shamov 1 1371 2012/03/23 03:19 by Grigory Shamov problem with parallel running David 3 4221 2012/03/17 17:29 by Johny Tang Size of basis set jlrch 1 1555 2012/03/10 16:08 by Larry Fried How to specify contracted basis Larry Fried 1 2177 2012/03/10 09:18 by Larry Fried

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