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List of Threads Topics Author Replies Views Last Modified Energy landscape discontinuities Jure Varlec 1 1490 2013/12/25 04:03 by T. Ozaki Very difficult scf-convergence for NEGF calculations yugd 1 1463 2013/12/21 12:06 by yugd light speed WenLiang_liu 0 1111 2013/12/13 18:02 by WenLiang_liu Wrong transmission yugd 1 2165 2013/11/20 21:40 by yugd Relativistic effects Cristian Morari 2 1402 2013/11/01 19:39 by Cristian Morari Transmission on a graphene sheet (a 2 dimensional system) yugd 1 1428 2013/10/31 13:11 by T. Ozaki makefile for sr16k machine in tokyo Vikas Sharma 1 1329 2013/10/23 18:00 by T. Ohwaki Turning off MD calculation Vijay Shankar 1 1387 2013/10/23 17:52 by T. Ozaki Is the Hartree potential computed in parallel? Jlrch 1 1147 2013/10/23 17:46 by T. Ozaki MO output in spin orbital coupling caculation YS Siew 1 1295 2013/10/23 17:42 by T. Ozaki SCF problem! Javan 1 17348 2013/09/25 04:45 by JAVAN problems on the geometry optimization of graphene yugd 3 6567 2013/09/18 08:51 by yugd relation between scf.energycutoff and scf.Ngrid dchrobak 1 8304 2013/09/17 23:10 by T. Ozaki my first impression of openmx yugd 1 8460 2013/09/17 22:41 by T. Ozaki Fock Matrix Ruibin Liu 1 1339 2013/09/17 22:32 by T. Ozaki about scf.system.charge N.Kolchenko 1 910 2013/09/05 05:08 by N.Kolchenko Solutions for installation of OpenMX3.7 with MKL in linux64 Daniel Coimbra 8 4086 2013/09/04 14:06 by Somesh Bhattacharya openmx3.7 installation on Cygwin? K. Kachrimanis 9 2365 2013/09/03 11:47 by T.V.T. Duy Patch 3.7.6 to OpenMX Ver. 3.7 T. Ozaki 0 1355 2013/09/01 14:47 by T. Ozaki How to print out derivatives of individual H and S matrix elements LK 1 977 2013/08/30 17:51 by T. Ozaki Patch 3.7.5 to OpenMX Ver. 3.7 T. Ozaki 0 1433 2013/08/29 17:53 by T. Ozaki openmx3.7 Gary Washington 1 1125 2013/08/23 21:52 by T. Ozaki Difference in total energy between version 3.6 and 3.7 Bob Schoeters 2 1437 2013/08/02 16:53 by Bob Schoeters Calculate energy with constrained magnitude of magnetic moment Pui-Wai Ma 1 1113 2013/08/01 22:28 by T. Ozaki Non-local potential EXcluded from vo.cube and v1.cube: why? Leonardo Makinistian 2 1508 2013/07/26 18:43 by Leonardo Makinistian Patch 3.7.4 to OpenMX Ver. 3.7 T. Ozaki 2 1473 2013/07/26 13:23 by T. Ozaki OPENMX 3.7 Installation problem Kanagaraj C 8 3493 2013/07/16 15:57 by Kanagaraj C LCAO zahra 1 1076 2013/07/11 17:48 by T. Ozaki Cell parameter for DOS of metal oxide cluster sanjeev 1 1241 2013/07/03 17:02 by T. Ozaki optical conductivity units PavelSerba 2 2008 2013/07/01 15:36 by T. Ozaki KS determinant Ruibin Liu 6 2090 2013/07/01 15:32 by T. Ozaki 2013 database completion Mauri 1 936 2013/06/25 17:54 by T. Ozaki install openmx 3.7 on debian wheezy H T W 1 1304 2013/06/25 14:28 by T.V.T. Duy problem on installation openmx 3.7 with patch 3 on debian wheezy Ma 1 1229 2013/06/25 14:18 by T.V.T. Duy OpenMX-3.7 installation problem on Fedora 17 surender 6 5396 2013/06/17 09:26 by T. Ozaki Electronic Temperature in openmx Ruibin Liu 5 2299 2013/06/16 11:52 by T. Ozaki Units on .vhart.cube Jose Eduardo Padilha 1 937 2013/06/13 09:06 by T. Ozaki Installation Error Dogan Erbahar 1 1642 2013/06/07 17:24 by alireza electric field Ruibin Liu 1 1053 2013/06/04 21:00 by T. Ozaki Patch 3.7.3 to OpenMX Ver. 3.7 T. Ozaki 0 1377 2013/06/03 17:24 by T. Ozaki Hybrid functional B3LYP Ruibin Liu 1 1136 2013/06/03 09:59 by T. Ozaki openmx 3.7 on intel_64 Denis Music 5 4314 2013/05/31 14:29 by Denis Music openmx3.7 Installation problem SH 5 8239 2013/05/29 20:42 by Tamal Goswami Patch 3.7.2 to OpenMX Ver. 3.7 T. Ozaki 0 1219 2013/05/29 17:37 by T. Ozaki Patch 3.7.1 to OpenMX Ver. 3.7 T. Ozaki 0 931 2013/05/27 14:56 by T. Ozaki 2013 database for heavy elements James 1 1040 2013/05/24 20:47 by T. Ozaki Release of OpenMX Ver. 3.7 T. Ozaki 0 786 2013/05/23 12:02 by T. Ozaki Exact exchange and hybrid functionals Mauro Sgroi 2 1170 2013/05/16 23:15 by Mauro Sgroi Can we specify the bias voltage applied to the left and right lead, respectively? Yasutaka Nishida 2 1369 2013/05/16 19:17 by Yasutaka Nishida How to compute the phonon dispersion by openmx T.Morshedloo 0 1178 2013/04/30 17:34 by T.Morshedloo

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