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Topics Author Replies Views Last Modified
input file for the sfc calculations of PbMnTe & CdMnTeidris212972011/06/30 16:47
by idri
Geometry optimization and restart files in parallel (on many nodes)Mauro Sgroi732732011/06/21 19:25
by Mauro Sgroi
GPUDenis Music115012011/06/09 01:01
by T.Ozaki
DOS calculation by OpenMxSheelan SC939812011/06/08 19:35
by Sheelan SC
DOS and NEGFAlejandro Leon220762011/06/01 15:29
by Sheelan SC
performance against Siesta, any impression?David318572011/05/29 21:42
by T.Ozaki
Transmission lida113652011/05/28 10:05
by T.Ozaki
DZP equivalent basisDavid518532011/05/25 23:48
by T.Ozaki
Release of OpenMX Ver.3.5T.Ozaki537092011/05/22 04:13
by David
question on MLWF in Noncolinear calculationjchang117612011/05/21 00:36
by T.Ozaki
Tight Binding parameter extract from MLWFKF129572011/05/20 23:27
by jchang
Bug in function Cluster_collinearRenato Miceli816902011/05/13 21:41
by Renato Miceli
OpenMX CDWole113232011/05/04 21:49
by T. Ozaki
Memory & new versionJan Rusz120242011/05/04 21:08
by T. Ozaki
Dr.SciKuznetsov112532011/05/04 20:22
by T. Ozaki
hamiltonian matrix and overlap filesxianghui423032011/04/06 22:51
by xianghui
Electric transport calculations: errorDr Haider Abbas014352011/03/28 16:14
by Dr Haider Abbas
New development of OpenMXMauro Sgroi215862011/03/10 04:29
by Mauro Sgroi
Include external fileJan Sommer011842011/03/04 00:47
by Jan Sommer
Assigning initial charges to atoms in an input fileDerek Stewart115082011/03/03 11:07
by T.Ozaki
Collection of Utilities/Tools to create input filesJan Sommer014172011/03/02 23:58
by Jan Sommer
A few questions about adpack 2.1G. Faccin119482011/02/01 22:06
by T.Ozaki
tight binding parameter extractionJ. Chang227052011/01/13 02:07
by J. Chang
Difference Charge DensityGabriel Greene122402010/12/10 09:40
by T.Ozaki
Re: Difference Charge densityGabriel Greene012752010/12/10 00:14
by Gabriel Greene
BFGS results change with number of processorsSarah Jones117102010/12/02 23:20
by T.Ozaki
Minor patch for bandgnu13.cH. Jeong117512010/11/29 21:46
by T.Ozaki
ESPGabriel Greene218652010/11/26 23:37
by Gabriel Greene
Transmission calculations with non-collinear spin DFTWendy220762010/11/25 05:32
by Wendy
Ghost state in Cu TM KB pseudopotential as a function of local component choiceMilica022762010/11/17 04:32
by Milica
transport, # channelsGabriel Greene017402010/10/30 21:01
by Gabriel Greene
One-dimensional systems in OpenMX v3.4Lyudmila Fomina013402010/10/28 23:24
by Lyudmila Fomina
Installing ADPACK on MacElon Weintraub020172010/09/27 08:29
by Elon Weintraub
The imprimation of TRAN_Poisson for the boundary conditionYukihiro Okuno020162010/08/25 17:24
by Yukihiro Okuno
Hellman Feynman Force in NEGF calculationJuilian Josef017732010/08/18 23:04
by Juilian Josef
SCF problem with the same periodic structureDinh Loc Duong031682010/07/21 10:44
by Dinh Loc Duong
Transport with non collinear calculationJ. Chang017572010/06/28 04:14
by J. Chang
Negative transmission coefficient valuesPriyamvada Jadaun021212010/06/19 06:05
by Priyamvada Jadaun
Is the Orbital Optimization variational with rispect to the Total Energy?Mauro018102010/06/02 00:46
by Mauro
Band gap of carbon nanotube is dependent of cell size Dinh Loc Duong023882010/05/26 10:15
by Dinh Loc Duong
How to properly calculate atoms?jlrch017332010/05/20 04:21
by jlrch
61 atom Fe wire lead, achieving converganceGabriel Greene121352010/05/13 17:46
by JH Parq
Can not get the output file,ie *.out but can get other output files like *.std,*.cifDimpy 019072010/05/02 23:42
by Dimpy
Interatomic forces at close distancesDaniel120242010/04/22 05:29
by Daniel
A question about nanotube applicationsHonggyu Kim038062010/04/08 20:12
by Honggyu Kim
execution of oenmx in parallel environment (using mpirun) result in error failed to save rst fileharish020252010/04/08 09:39
by harish
one problem when running the calculationyang345142010/04/07 09:22
by yang
TranMain not compilingGabriel Greene110842010/04/04 19:43
by azamat
Can anyone tell me how to set the "Atoms.UnitVectors “?yang021102010/03/31 17:53
by yang
Density of states for a large semiconductor systemmiher018662010/03/30 23:03
by miher

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