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List of Threads Topics Author Replies Views Last Modified Murnaghan equation fit code question Ryan 1 2221 2012/07/03 13:29 by Anita openmx testrun results marius 5 2720 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 2421 2012/06/06 13:07 by Yasutaka Nishida Correction of manual (ESM method) T.Ohwaki 0 1259 2012/05/24 16:56 by T.Ohwaki About platform. mt 2 1730 2012/05/19 20:35 by Mohamed Khalfallah restart of NEGF step marius 0 1268 2012/04/11 19:28 by marius How to Write Wavefunction zhe 1 1746 2012/04/03 21:26 by T. Ozaki how to calculate the equilibrium lattice constants (New to OPENMX) Raf 1 1880 2012/03/30 14:59 by JH Parq Problems with Transport Calculation Tamal Goswami 6 2581 2012/03/28 22:28 by Tamal Goswami ADPAC 2.2 vs 2.2 input differences? Grigory Shamov 3 1887 2012/03/24 03:00 by Grigory Shamov Calculation of magnetic anisotropy jlrch 1 2117 2012/03/23 08:35 by T. Ozaki A question about Restart files Kun Jiang 1 1260 2012/03/23 08:30 by T. Ozaki electrostatic Potential Dan 1 1246 2012/03/23 08:27 by T. Ozaki EXX JohnTse 1 1161 2012/03/23 08:23 by T. Ozaki GaAs test having discrepancies Grigory Shamov 1 1237 2012/03/23 03:19 by Grigory Shamov problem with parallel running David 3 3411 2012/03/17 17:29 by Johny Tang Size of basis set jlrch 1 1380 2012/03/10 16:08 by Larry Fried How to specify contracted basis Larry Fried 1 1960 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 1034 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 2199 2012/02/15 23:33 by Abdelouahab Error when single atom system, scf.EigenvalueSolver is Band A. M. Ito 1 4301 2012/01/21 04:15 by A. M. Ito Errors after building OpenMX, illegal value info=-3 in dstevx_ Grigory Shamov 1 1446 2012/01/19 03:05 by Grigory Shamov how to calculate and plot Projected Bulk Band Structure Zhe 0 2340 2012/01/16 19:12 by Zhe A question about the momentum matrix elements calculation Hung-Lung Huang 3 6376 2012/01/04 18:31 by Sajad Ahmad ask for VPS and PAO of Ce and Ir chen 0 1194 2012/01/04 06:37 by chen optimization of the volume Sajad Ahmad 0 1223 2012/01/02 20:52 by Sajad Ahmad problen in make ali 1 1758 2011/12/30 02:57 by Reda BOUFATAH [openmx 3.6] DFT_DATA_PATH is undeclared in check_lead.c Reda Boufatah 0 1013 2011/12/18 04:06 by Reda Boufatah Format for "MD.Fixed.XYZ" in openmx3.5 Zhe 1 1360 2011/12/17 19:45 by T.Ozaki how to set CC and LIB to compile openmx 3.6? Sajad Ahmad 0 1183 2011/11/21 19:01 by Sajad Ahmad how to create a nano system input file? ajaz 0 1144 2011/11/19 15:05 by ajaz openmx3.4 installation problem Daniel 3 2249 2011/11/19 12:32 by Dr. Amar Bahadur variable cell relaxation in OpenMX Jess 1 1565 2011/11/18 18:43 by T.Ozaki How to calculate Bulk Modulus using this code Sajad Ahmad 4 1880 2011/11/16 20:34 by Sajad Ahmad convergence problems with OpenMX 3.6 Denis Music 13 7224 2011/11/16 14:42 by T.Ozaki Problem with Band structure Dimpy Sharma 4 1666 2011/11/15 02:52 by Dimpy Sharma OpenMX ver.3.6 compilation with -Dnompi N.Kolchenko 3 3143 2011/11/14 17:26 by T.Ozaki Definition of Orbitals in version 3.6 Hadi Arefi 1 1006 2011/11/14 17:19 by T.Ozaki patch3.6.1 to OpenMX Ver. 3.6 T.Ozaki 0 3025 2011/11/14 17:07 by T.Ozaki Postprocessing - "Analysis of ..." N.Kolchenko 2 1545 2011/11/13 02:26 by N.Kolchenko Ab initio determination of Hubbard parameter U Mauro Sgroi 2 1465 2011/11/12 05:48 by Mauro Sgroi Ghost orbital Hadi Arefi 1 2165 2011/11/11 22:21 by T.Ozaki New version of OpenMx Dimpy Sharma 1 1447 2011/11/11 22:16 by T.Ozaki PAO and VPS Rakesh Kar 1 1409 2011/11/11 22:09 by T.Ozaki The conventions for real spherical harmonics in OpenMX H. 3 2587 2011/11/11 21:55 by T.Ozaki Release of OpenMX Ver. 3.6 T.Ozaki 0 1114 2011/11/10 17:31 by T.Ozaki scf convergence problem j 2 2782 2011/11/03 07:46 by jhlee Better convergence for larger number of processors in case non-collinear calculations with SOC Johannes Voss 1 1442 2011/10/27 17:40 by N.Kolchenko Strange Mulliken Populations using new PAO in NEGF Sarah Jones 2 2414 2011/10/18 17:47 by Sarah Jones "oddity" with odd number of states N.Kolchenko 2 3332 2011/10/12 20:27 by N.Kolchenko

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