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List of Threads Topics Author Replies Views Last Modified erro: NEGF calculation with different right and left lead wang 1 1816 2012/09/23 17:00 by wang band structure of YN IDRIS 1 1608 2012/09/11 07:28 by T.Ozaki GaAs DOS Dariusz Chrobak 4 2055 2012/09/10 23:55 by T.Ozaki Gate voltage reference for NEGF transport calculations P 2 1647 2012/09/10 21:29 by P same PAOs Julio Aguiar 4 1454 2012/09/03 23:59 by Julio Aguiar Silicon cd force calculations Dariusz Chrobak 2 2402 2012/08/29 18:34 by Dariusz Chrobak installation with openmpi sanjeev 1 1257 2012/08/28 17:44 by T. Ozaki Unit using in exchange coupling parameter Pui-Wai Ma 1 274 2012/08/28 17:42 by T. Ozaki scf.Kgrid Vikas Sharma 1 2132 2012/08/28 16:20 by T.Ozaki Some question about small cluster calculations sanjeev 1 1669 2012/08/28 16:16 by T.Ozaki Ca lattice constant Sang 2 2427 2012/07/29 06:22 by Sang Large Dipole Moment Somesh Bhattacharya 2 1695 2012/07/25 13:55 by Somesh Bhattacharya Post complilation problem Mosahhar 2 1703 2012/07/25 05:51 by Mosahhar Calculation time Dmitry 1 1560 2012/07/25 00:51 by T.Ozaki The exact meaning of the natn array Konstantin Khromov 1 1219 2012/07/21 09:40 by T.Ozaki NEGF Lida 1 1439 2012/07/21 09:31 by T.Ozaki Log. derivs fail to converge in ADPACK Grigory Shamov 1 1346 2012/07/21 09:29 by T.Ozaki Tips on Compilation of OpenMX in POWER7 machines T.Ohwaki 0 1733 2012/07/05 11:58 by T.Ohwaki Murnaghan equation fit code question Ryan 1 2290 2012/07/03 13:29 by Anita openmx testrun results marius 5 2806 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 2513 2012/06/06 13:07 by Yasutaka Nishida Correction of manual (ESM method) T.Ohwaki 0 1318 2012/05/24 16:56 by T.Ohwaki About platform. mt 2 1794 2012/05/19 20:35 by Mohamed Khalfallah restart of NEGF step marius 0 1336 2012/04/11 19:28 by marius How to Write Wavefunction zhe 1 1815 2012/04/03 21:26 by T. Ozaki how to calculate the equilibrium lattice constants (New to OPENMX) Raf 1 1951 2012/03/30 14:59 by JH Parq Problems with Transport Calculation Tamal Goswami 6 2682 2012/03/28 22:28 by Tamal Goswami ADPAC 2.2 vs 2.2 input differences? Grigory Shamov 3 1951 2012/03/24 03:00 by Grigory Shamov Calculation of magnetic anisotropy jlrch 1 2191 2012/03/23 08:35 by T. Ozaki A question about Restart files Kun Jiang 1 1319 2012/03/23 08:30 by T. Ozaki electrostatic Potential Dan 1 1318 2012/03/23 08:27 by T. Ozaki EXX JohnTse 1 1227 2012/03/23 08:23 by T. Ozaki GaAs test having discrepancies Grigory Shamov 1 1296 2012/03/23 03:19 by Grigory Shamov problem with parallel running David 3 3801 2012/03/17 17:29 by Johny Tang Size of basis set jlrch 1 1454 2012/03/10 16:08 by Larry Fried How to specify contracted basis Larry Fried 1 2047 2012/03/10 09:18 by Larry Fried is the example "MnO" in work folder of openmx 3.6 for fcc structure or rhombohedral? jam 0 1086 2012/02/24 15:13 by jam Installation procedure of openmx3.6 in CentOS 6.0 or 5.x: step by step Reda Boufatah 1 2272 2012/02/15 23:33 by Abdelouahab Error when single atom system, scf.EigenvalueSolver is Band A. M. Ito 1 4407 2012/01/21 04:15 by A. M. Ito Errors after building OpenMX, illegal value info=-3 in dstevx_ Grigory Shamov 1 1504 2012/01/19 03:05 by Grigory Shamov how to calculate and plot Projected Bulk Band Structure Zhe 0 2429 2012/01/16 19:12 by Zhe A question about the momentum matrix elements calculation Hung-Lung Huang 3 6475 2012/01/04 18:31 by Sajad Ahmad ask for VPS and PAO of Ce and Ir chen 0 1251 2012/01/04 06:37 by chen optimization of the volume Sajad Ahmad 0 1279 2012/01/02 20:52 by Sajad Ahmad problen in make ali 1 1824 2011/12/30 02:57 by Reda BOUFATAH [openmx 3.6] DFT_DATA_PATH is undeclared in check_lead.c Reda Boufatah 0 1073 2011/12/18 04:06 by Reda Boufatah Format for "MD.Fixed.XYZ" in openmx3.5 Zhe 1 1421 2011/12/17 19:45 by T.Ozaki how to set CC and LIB to compile openmx 3.6? Sajad Ahmad 0 1240 2011/11/21 19:01 by Sajad Ahmad how to create a nano system input file? ajaz 0 1205 2011/11/19 15:05 by ajaz openmx3.4 installation problem Daniel 3 2346 2011/11/19 12:32 by Dr. Amar Bahadur

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