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Topics Author Replies Views Last Modified
problems on the geometry optimization of grapheneyugd367262013/09/18 08:51
by yugd
relation between scf.energycutoff and scf.Ngriddchrobak184372013/09/17 23:10
by T. Ozaki
my first impression of openmxyugd185352013/09/17 22:41
by T. Ozaki
Fock MatrixRuibin Liu114042013/09/17 22:32
by T. Ozaki
about scf.system.chargeN.Kolchenko19782013/09/05 05:08
by N.Kolchenko
Solutions for installation of OpenMX3.7 with MKL in linux64Daniel Coimbra842812013/09/04 14:06
by Somesh Bhattacharya
openmx3.7 installation on Cygwin?K. Kachrimanis925422013/09/03 11:47
by T.V.T. Duy
Patch 3.7.6 to OpenMX Ver. 3.7T. Ozaki014252013/09/01 14:47
by T. Ozaki
How to print out derivatives of individual H and S matrix elementsLK110762013/08/30 17:51
by T. Ozaki
Patch 3.7.5 to OpenMX Ver. 3.7T. Ozaki015392013/08/29 17:53
by T. Ozaki
openmx3.7Gary Washington112092013/08/23 21:52
by T. Ozaki
Difference in total energy between version 3.6 and 3.7Bob Schoeters215412013/08/02 16:53
by Bob Schoeters
Calculate energy with constrained magnitude of magnetic momentPui-Wai Ma111852013/08/01 22:28
by T. Ozaki
Non-local potential EXcluded from vo.cube and v1.cube: why? Leonardo Makinistian215982013/07/26 18:43
by Leonardo Makinistian
Patch 3.7.4 to OpenMX Ver. 3.7T. Ozaki215682013/07/26 13:23
by T. Ozaki
OPENMX 3.7 Installation problemKanagaraj C836722013/07/16 15:57
by Kanagaraj C
LCAOzahra111462013/07/11 17:48
by T. Ozaki
Cell parameter for DOS of metal oxide clustersanjeev113522013/07/03 17:02
by T. Ozaki
optical conductivity unitsPavelSerba222292013/07/01 15:36
by T. Ozaki
KS determinantRuibin Liu621832013/07/01 15:32
by T. Ozaki
2013 database completionMauri110212013/06/25 17:54
by T. Ozaki
install openmx 3.7 on debian wheezy H T W114002013/06/25 14:28
by T.V.T. Duy
problem on installation openmx 3.7 with patch 3 on debian wheezyMa113152013/06/25 14:18
by T.V.T. Duy
OpenMX-3.7 installation problem on Fedora 17 surender655632013/06/17 09:26
by T. Ozaki
Electronic Temperature in openmxRuibin Liu524662013/06/16 11:52
by T. Ozaki
Units on .vhart.cubeJose Eduardo Padilha110212013/06/13 09:06
by T. Ozaki
Installation ErrorDogan Erbahar117432013/06/07 17:24
by alireza
electric fieldRuibin Liu111532013/06/04 21:00
by T. Ozaki
Patch 3.7.3 to OpenMX Ver. 3.7T. Ozaki014482013/06/03 17:24
by T. Ozaki
Hybrid functional B3LYPRuibin Liu112352013/06/03 09:59
by T. Ozaki
openmx 3.7 on intel_64Denis Music544682013/05/31 14:29
by Denis Music
openmx3.7 Installation problemSH588162013/05/29 20:42
by Tamal Goswami
Patch 3.7.2 to OpenMX Ver. 3.7T. Ozaki012882013/05/29 17:37
by T. Ozaki
Patch 3.7.1 to OpenMX Ver. 3.7T. Ozaki010002013/05/27 14:56
by T. Ozaki
2013 database for heavy elementsJames111042013/05/24 20:47
by T. Ozaki
Release of OpenMX Ver. 3.7T. Ozaki08442013/05/23 12:02
by T. Ozaki
Exact exchange and hybrid functionalsMauro Sgroi212362013/05/16 23:15
by Mauro Sgroi
Can we specify the bias voltage applied to the left and right lead, respectively?Yasutaka Nishida214572013/05/16 19:17
by Yasutaka Nishida
How to compute the phonon dispersion by openmxT.Morshedloo012902013/04/30 17:34
by T.Morshedloo
segmentation fault during <logical truncation>Ruibin Liu09302013/04/18 10:26
by Ruibin Liu
question on FeO_NC.dat input filesanjeev011632013/03/25 17:15
by sanjeev
How to visualize charge density using XcrysdensJoao Amaral224712013/03/19 20:21
by Joao Amaral
Energy convergence requirementsAlfonso010082013/03/15 23:52
by Alfonso
Producing desired spin stateTamal Goswami010032013/02/27 17:40
by Tamal Goswami
Convergence issue of CoFe/MgO/CoFe sytem (MTJ)H.Park018002013/02/25 15:45
by H.Park
Basis vectors of Heusler alloy idu214522013/02/06 21:11
by idu
Energy of Fermi, HOMO and LUMOzhe012612013/01/18 23:36
by zhe
Memory problem?pesonkr013362013/01/18 12:24
by pesonkr
optical conductivityPavel Serba315872013/01/12 02:52
by PavelSerba
Zero Point Energy (ZPE) correctionNima013862013/01/11 02:53
by Nima

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