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Topics Author Replies Views Last Modified
out-put vizualisationsanjeev116792011/07/30 00:42
by T.Ozaki
Utotal is positive and high enoughwsajad118962011/07/30 00:37
by T.Ozaki
Unexisting input file causes TranMain to segfaultRenato Miceli115002011/07/30 00:35
by T.Ozaki
error in calculations of dos wsajad525612011/07/25 15:10
by wsajad
Use of symmetry in OpenmxMauro Sgroi220152011/07/22 22:46
by Mauro Sgroi
why Uele is zero in NEGF (step2)?arlonne213982011/07/12 15:21
by arlonne
whether we are calculating for bulk or nanowsajad419772011/07/11 21:16
by T.Ozaki
error in running wsajad215412011/07/11 16:14
by wsajad
Atoms.SpeciesAndCoordinatesJulio Aguiar115942011/07/06 00:46
by T.Ozaki
input file for the sfc calculations of PbMnTe & CdMnTeidris214602011/06/30 16:47
by idri
Geometry optimization and restart files in parallel (on many nodes)Mauro Sgroi734482011/06/21 19:25
by Mauro Sgroi
GPUDenis Music116352011/06/09 01:01
by T.Ozaki
DOS calculation by OpenMxSheelan SC942642011/06/08 19:35
by Sheelan SC
DOS and NEGFAlejandro Leon222132011/06/01 15:29
by Sheelan SC
performance against Siesta, any impression?David320132011/05/29 21:42
by T.Ozaki
Transmission lida115062011/05/28 10:05
by T.Ozaki
DZP equivalent basisDavid519962011/05/25 23:48
by T.Ozaki
Release of OpenMX Ver.3.5T.Ozaki538962011/05/22 04:13
by David
question on MLWF in Noncolinear calculationjchang119222011/05/21 00:36
by T.Ozaki
Tight Binding parameter extract from MLWFKF131512011/05/20 23:27
by jchang
Bug in function Cluster_collinearRenato Miceli818702011/05/13 21:41
by Renato Miceli
OpenMX CDWole114802011/05/04 21:49
by T. Ozaki
Memory & new versionJan Rusz122172011/05/04 21:08
by T. Ozaki
Dr.SciKuznetsov114202011/05/04 20:22
by T. Ozaki
hamiltonian matrix and overlap filesxianghui424982011/04/06 22:51
by xianghui
Electric transport calculations: errorDr Haider Abbas016072011/03/28 16:14
by Dr Haider Abbas
New development of OpenMXMauro Sgroi217352011/03/10 04:29
by Mauro Sgroi
Include external fileJan Sommer013392011/03/04 00:47
by Jan Sommer
Assigning initial charges to atoms in an input fileDerek Stewart116862011/03/03 11:07
by T.Ozaki
Collection of Utilities/Tools to create input filesJan Sommer016112011/03/02 23:58
by Jan Sommer
A few questions about adpack 2.1G. Faccin121322011/02/01 22:06
by T.Ozaki
tight binding parameter extractionJ. Chang228702011/01/13 02:07
by J. Chang
Difference Charge DensityGabriel Greene124272010/12/10 09:40
by T.Ozaki
Re: Difference Charge densityGabriel Greene014352010/12/10 00:14
by Gabriel Greene
BFGS results change with number of processorsSarah Jones118552010/12/02 23:20
by T.Ozaki
Minor patch for bandgnu13.cH. Jeong119272010/11/29 21:46
by T.Ozaki
ESPGabriel Greene220722010/11/26 23:37
by Gabriel Greene
Transmission calculations with non-collinear spin DFTWendy222352010/11/25 05:32
by Wendy
Ghost state in Cu TM KB pseudopotential as a function of local component choiceMilica024192010/11/17 04:32
by Milica
transport, # channelsGabriel Greene019222010/10/30 21:01
by Gabriel Greene
One-dimensional systems in OpenMX v3.4Lyudmila Fomina014922010/10/28 23:24
by Lyudmila Fomina
Installing ADPACK on MacElon Weintraub021962010/09/27 08:29
by Elon Weintraub
The imprimation of TRAN_Poisson for the boundary conditionYukihiro Okuno021672010/08/25 17:24
by Yukihiro Okuno
Hellman Feynman Force in NEGF calculationJuilian Josef019282010/08/18 23:04
by Juilian Josef
SCF problem with the same periodic structureDinh Loc Duong033522010/07/21 10:44
by Dinh Loc Duong
Transport with non collinear calculationJ. Chang019092010/06/28 04:14
by J. Chang
Negative transmission coefficient valuesPriyamvada Jadaun022882010/06/19 06:05
by Priyamvada Jadaun
Is the Orbital Optimization variational with rispect to the Total Energy?Mauro019602010/06/02 00:46
by Mauro
Band gap of carbon nanotube is dependent of cell size Dinh Loc Duong025422010/05/26 10:15
by Dinh Loc Duong
How to properly calculate atoms?jlrch018822010/05/20 04:21
by jlrch

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