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Topics Author Replies Views Last Modified
out-put vizualisationsanjeev122612011/07/30 00:42
by T.Ozaki
Utotal is positive and high enoughwsajad125592011/07/30 00:37
by T.Ozaki
Unexisting input file causes TranMain to segfaultRenato Miceli121372011/07/30 00:35
by T.Ozaki
error in calculations of dos wsajad532122011/07/25 15:10
by wsajad
Use of symmetry in OpenmxMauro Sgroi228532011/07/22 22:46
by Mauro Sgroi
why Uele is zero in NEGF (step2)?arlonne219622011/07/12 15:21
by arlonne
whether we are calculating for bulk or nanowsajad425502011/07/11 21:16
by T.Ozaki
error in running wsajad222352011/07/11 16:14
by wsajad
Atoms.SpeciesAndCoordinatesJulio Aguiar122362011/07/06 00:46
by T.Ozaki
input file for the sfc calculations of PbMnTe & CdMnTeidris220762011/06/30 16:47
by idri
Geometry optimization and restart files in parallel (on many nodes)Mauro Sgroi741902011/06/21 19:25
by Mauro Sgroi
GPUDenis Music122442011/06/09 01:01
by T.Ozaki
DOS calculation by OpenMxSheelan SC952092011/06/08 19:35
by Sheelan SC
DOS and NEGFAlejandro Leon228472011/06/01 15:29
by Sheelan SC
performance against Siesta, any impression?David326362011/05/29 21:42
by T.Ozaki
Transmission lida121192011/05/28 10:05
by T.Ozaki
DZP equivalent basisDavid526242011/05/25 23:48
by T.Ozaki
Release of OpenMX Ver.3.5T.Ozaki546282011/05/22 04:13
by David
question on MLWF in Noncolinear calculationjchang125842011/05/21 00:36
by T.Ozaki
Tight Binding parameter extract from MLWFKF138612011/05/20 23:27
by jchang
Bug in function Cluster_collinearRenato Miceli825752011/05/13 21:41
by Renato Miceli
OpenMX CDWole120572011/05/04 21:49
by T. Ozaki
Memory & new versionJan Rusz129462011/05/04 21:08
by T. Ozaki
Dr.SciKuznetsov120222011/05/04 20:22
by T. Ozaki
hamiltonian matrix and overlap filesxianghui432572011/04/06 22:51
by xianghui
Electric transport calculations: errorDr Haider Abbas021842011/03/28 16:14
by Dr Haider Abbas
New development of OpenMXMauro Sgroi222952011/03/10 04:29
by Mauro Sgroi
Include external fileJan Sommer019392011/03/04 00:47
by Jan Sommer
Assigning initial charges to atoms in an input fileDerek Stewart123762011/03/03 11:07
by T.Ozaki
Collection of Utilities/Tools to create input filesJan Sommer022092011/03/02 23:58
by Jan Sommer
A few questions about adpack 2.1G. Faccin128342011/02/01 22:06
by T.Ozaki
tight binding parameter extractionJ. Chang236032011/01/13 02:07
by J. Chang
Difference Charge DensityGabriel Greene130572010/12/10 09:40
by T.Ozaki
Re: Difference Charge densityGabriel Greene020332010/12/10 00:14
by Gabriel Greene
BFGS results change with number of processorsSarah Jones124432010/12/02 23:20
by T.Ozaki
Minor patch for bandgnu13.cH. Jeong125262010/11/29 21:46
by T.Ozaki
ESPGabriel Greene227952010/11/26 23:37
by Gabriel Greene
Transmission calculations with non-collinear spin DFTWendy228142010/11/25 05:32
by Wendy
Ghost state in Cu TM KB pseudopotential as a function of local component choiceMilica030632010/11/17 04:32
by Milica
transport, # channelsGabriel Greene025562010/10/30 21:01
by Gabriel Greene
One-dimensional systems in OpenMX v3.4Lyudmila Fomina020362010/10/28 23:24
by Lyudmila Fomina
Installing ADPACK on MacElon Weintraub028452010/09/27 08:29
by Elon Weintraub
The imprimation of TRAN_Poisson for the boundary conditionYukihiro Okuno028052010/08/25 17:24
by Yukihiro Okuno
Hellman Feynman Force in NEGF calculationJuilian Josef025512010/08/18 23:04
by Juilian Josef
SCF problem with the same periodic structureDinh Loc Duong040242010/07/21 10:44
by Dinh Loc Duong
Transport with non collinear calculationJ. Chang024732010/06/28 04:14
by J. Chang
Negative transmission coefficient valuesPriyamvada Jadaun029122010/06/19 06:05
by Priyamvada Jadaun
Is the Orbital Optimization variational with rispect to the Total Energy?Mauro025072010/06/02 00:46
by Mauro
Band gap of carbon nanotube is dependent of cell size Dinh Loc Duong031522010/05/26 10:15
by Dinh Loc Duong
How to properly calculate atoms?jlrch023932010/05/20 04:21
by jlrch

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