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List of Threads Topics Author Replies Views Last Modified The conventions for real spherical harmonics in OpenMX H. 3 2535 2011/11/11 21:55 by T.Ozaki Release of OpenMX Ver. 3.6 T.Ozaki 0 1060 2011/11/10 17:31 by T.Ozaki scf convergence problem j 2 2721 2011/11/03 07:46 by jhlee Better convergence for larger number of processors in case non-collinear calculations with SOC Johannes Voss 1 1373 2011/10/27 17:40 by N.Kolchenko Strange Mulliken Populations using new PAO in NEGF Sarah Jones 2 2350 2011/10/18 17:47 by Sarah Jones "oddity" with odd number of states N.Kolchenko 2 3241 2011/10/12 20:27 by N.Kolchenko EvsLC MD.Type? Reda BOUFATAH 1 1185 2011/10/12 17:02 by T.Ozaki Transport including spin-orbit interaction Ernesto O. Wrasse 1 1115 2011/10/10 02:26 by Jiwon ADPACK Ver. 2.2, Database 2011, and patch for OpenMX Ver. 3.5 T.Ozaki 5 1905 2011/10/01 07:02 by N.Kolchenko Segfaults during memory accesses in Band_DFT_Col.c Renato Miceli 11 6407 2011/10/01 00:45 by Renato Miceli Problem in Orbital optimisation Dimpy Sharma 1 1346 2011/09/29 21:01 by T.Ozaki about nanoscale cluster motif sanjeev singh 1 1525 2011/09/26 21:42 by N.Kolchenko AO and PAO Julio Aguiar 2 1451 2011/09/07 07:06 by Julio Aguiar bandgnu13.c compilation error sanjeev 1 1291 2011/09/07 00:54 by T.Ozaki problems in band dispersion wsajad 3 1382 2011/09/03 16:44 by Sajad Ahmad Array index out of bounds causes segfault in TRAN_Set_CentOverlap.c Renato Miceli 2 2236 2011/09/02 04:33 by Renato Miceli Inlen ComposerXE (ver. 12) : optimazation error A. M. Ito 1 2960 2011/08/30 15:08 by T.Ozaki The patch (Ver.3.5.2) of OpenMX Ver. 3.5 T.Ozaki 0 1093 2011/08/30 15:06 by T.Ozaki vps calculated by LDA wsajad 2 1173 2011/08/28 17:36 by wsajad Fermi level is not at the middle of the gap Dinh Loc Duong 4 8106 2011/08/26 17:43 by T.Ozaki Enquiry with Band structure Dimpy Sharma 1 1647 2011/08/26 17:28 by T.Ozaki Question about GGA+U rocdawn 2 2668 2011/08/23 15:10 by wsajad Atoms.UnitVectors.Unit wsajad 1 1347 2011/08/22 03:34 by mahyar constant magnetism Gabriel Greene 3 2122 2011/08/22 03:29 by mahyar slow convergence of small clusters sanjeev 2 1664 2011/08/11 03:15 by N.Kolchenko problem in band dispersion wsajad 0 1019 2011/08/08 21:06 by wsajad where to set gamma poin in the input file? wsajad 0 1070 2011/08/06 15:08 by wsajad Long directory path for argument DATA.PATH in the input file causes OpenMX to segfault Renato Miceli 1 1470 2011/08/05 01:47 by T.Ozaki Spherical Bessel Transform Julio Aguiar 1 1403 2011/08/02 00:14 by T.Ozaki out-put vizualisation sanjeev 1 1398 2011/07/30 00:42 by T.Ozaki Utotal is positive and high enough wsajad 1 1559 2011/07/30 00:37 by T.Ozaki Unexisting input file causes TranMain to segfault Renato Miceli 1 1214 2011/07/30 00:35 by T.Ozaki error in calculations of dos wsajad 5 2162 2011/07/25 15:10 by wsajad Use of symmetry in Openmx Mauro Sgroi 2 1691 2011/07/22 22:46 by Mauro Sgroi why Uele is zero in NEGF (step2)? arlonne 2 1138 2011/07/12 15:21 by arlonne whether we are calculating for bulk or nano wsajad 4 1662 2011/07/11 21:16 by T.Ozaki error in running wsajad 2 1281 2011/07/11 16:14 by wsajad Atoms.SpeciesAndCoordinates Julio Aguiar 1 1316 2011/07/06 00:46 by T.Ozaki input file for the sfc calculations of PbMnTe & CdMnTe idris 2 1174 2011/06/30 16:47 by idri Geometry optimization and restart files in parallel (on many nodes) Mauro Sgroi 7 3133 2011/06/21 19:25 by Mauro Sgroi GPU Denis Music 1 1388 2011/06/09 01:01 by T.Ozaki DOS calculation by OpenMx Sheelan SC 9 3717 2011/06/08 19:35 by Sheelan SC DOS and NEGF Alejandro Leon 2 1960 2011/06/01 15:29 by Sheelan SC performance against Siesta, any impression? David 3 1739 2011/05/29 21:42 by T.Ozaki Transmission lida 1 1252 2011/05/28 10:05 by T.Ozaki DZP equivalent basis David 5 1724 2011/05/25 23:48 by T.Ozaki Release of OpenMX Ver.3.5 T.Ozaki 5 3547 2011/05/22 04:13 by David question on MLWF in Noncolinear calculation jchang 1 1617 2011/05/21 00:36 by T.Ozaki Tight Binding parameter extract from MLWF KF 1 2805 2011/05/20 23:27 by jchang Bug in function Cluster_collinear Renato Miceli 8 1512 2011/05/13 21:41 by Renato Miceli

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