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MO output in spin orbital coupling caculationYS Siew112192013/10/23 17:42
by T. Ozaki
SCF problem!Javan1172542013/09/25 04:45
by JAVAN
problems on the geometry optimization of grapheneyugd364022013/09/18 08:51
by yugd
relation between scf.energycutoff and scf.Ngriddchrobak181902013/09/17 23:10
by T. Ozaki
my first impression of openmxyugd183712013/09/17 22:41
by T. Ozaki
Fock MatrixRuibin Liu112542013/09/17 22:32
by T. Ozaki
about scf.system.chargeN.Kolchenko18262013/09/05 05:08
by N.Kolchenko
Solutions for installation of OpenMX3.7 with MKL in linux64Daniel Coimbra838642013/09/04 14:06
by Somesh Bhattacharya
openmx3.7 installation on Cygwin?K. Kachrimanis921822013/09/03 11:47
by T.V.T. Duy
Patch 3.7.6 to OpenMX Ver. 3.7T. Ozaki012702013/09/01 14:47
by T. Ozaki
How to print out derivatives of individual H and S matrix elementsLK18842013/08/30 17:51
by T. Ozaki
Patch 3.7.5 to OpenMX Ver. 3.7T. Ozaki013192013/08/29 17:53
by T. Ozaki
openmx3.7Gary Washington110362013/08/23 21:52
by T. Ozaki
Difference in total energy between version 3.6 and 3.7Bob Schoeters213392013/08/02 16:53
by Bob Schoeters
Calculate energy with constrained magnitude of magnetic momentPui-Wai Ma110232013/08/01 22:28
by T. Ozaki
Non-local potential EXcluded from vo.cube and v1.cube: why? Leonardo Makinistian214212013/07/26 18:43
by Leonardo Makinistian
Patch 3.7.4 to OpenMX Ver. 3.7T. Ozaki213822013/07/26 13:23
by T. Ozaki
OPENMX 3.7 Installation problemKanagaraj C832972013/07/16 15:57
by Kanagaraj C
LCAOzahra19902013/07/11 17:48
by T. Ozaki
Cell parameter for DOS of metal oxide clustersanjeev111322013/07/03 17:02
by T. Ozaki
optical conductivity unitsPavelSerba217842013/07/01 15:36
by T. Ozaki
KS determinantRuibin Liu620062013/07/01 15:32
by T. Ozaki
2013 database completionMauri18502013/06/25 17:54
by T. Ozaki
install openmx 3.7 on debian wheezy H T W112112013/06/25 14:28
by T.V.T. Duy
problem on installation openmx 3.7 with patch 3 on debian wheezyMa111472013/06/25 14:18
by T.V.T. Duy
OpenMX-3.7 installation problem on Fedora 17 surender651972013/06/17 09:26
by T. Ozaki
Electronic Temperature in openmxRuibin Liu521462013/06/16 11:52
by T. Ozaki
Units on .vhart.cubeJose Eduardo Padilha18572013/06/13 09:06
by T. Ozaki
Installation ErrorDogan Erbahar115352013/06/07 17:24
by alireza
electric fieldRuibin Liu19502013/06/04 21:00
by T. Ozaki
Patch 3.7.3 to OpenMX Ver. 3.7T. Ozaki012902013/06/03 17:24
by T. Ozaki
Hybrid functional B3LYPRuibin Liu110352013/06/03 09:59
by T. Ozaki
openmx 3.7 on intel_64Denis Music541722013/05/31 14:29
by Denis Music
openmx3.7 Installation problemSH577532013/05/29 20:42
by Tamal Goswami
Patch 3.7.2 to OpenMX Ver. 3.7T. Ozaki011332013/05/29 17:37
by T. Ozaki
Patch 3.7.1 to OpenMX Ver. 3.7T. Ozaki08402013/05/27 14:56
by T. Ozaki
2013 database for heavy elementsJames19602013/05/24 20:47
by T. Ozaki
Release of OpenMX Ver. 3.7T. Ozaki07022013/05/23 12:02
by T. Ozaki
Exact exchange and hybrid functionalsMauro Sgroi210852013/05/16 23:15
by Mauro Sgroi
Can we specify the bias voltage applied to the left and right lead, respectively?Yasutaka Nishida212862013/05/16 19:17
by Yasutaka Nishida
How to compute the phonon dispersion by openmxT.Morshedloo010502013/04/30 17:34
by T.Morshedloo
segmentation fault during <logical truncation>Ruibin Liu07862013/04/18 10:26
by Ruibin Liu
question on FeO_NC.dat input filesanjeev010132013/03/25 17:15
by sanjeev
How to visualize charge density using XcrysdensJoao Amaral221362013/03/19 20:21
by Joao Amaral
Energy convergence requirementsAlfonso08472013/03/15 23:52
by Alfonso
Producing desired spin stateTamal Goswami08422013/02/27 17:40
by Tamal Goswami
Convergence issue of CoFe/MgO/CoFe sytem (MTJ)H.Park015942013/02/25 15:45
by H.Park
Basis vectors of Heusler alloy idu212582013/02/06 21:11
by idu
Energy of Fermi, HOMO and LUMOzhe010522013/01/18 23:36
by zhe
Memory problem?pesonkr011572013/01/18 12:24
by pesonkr

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