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Topics Author Replies Views Last Modified
performance against Siesta, any impression?David327002011/05/29 21:42
by T.Ozaki
Transmission lida121972011/05/28 10:05
by T.Ozaki
DZP equivalent basisDavid526932011/05/25 23:48
by T.Ozaki
Release of OpenMX Ver.3.5T.Ozaki546952011/05/22 04:13
by David
question on MLWF in Noncolinear calculationjchang126632011/05/21 00:36
by T.Ozaki
Tight Binding parameter extract from MLWFKF139242011/05/20 23:27
by jchang
Bug in function Cluster_collinearRenato Miceli826332011/05/13 21:41
by Renato Miceli
OpenMX CDWole121122011/05/04 21:49
by T. Ozaki
Memory & new versionJan Rusz130062011/05/04 21:08
by T. Ozaki
Dr.SciKuznetsov120712011/05/04 20:22
by T. Ozaki
hamiltonian matrix and overlap filesxianghui433312011/04/06 22:51
by xianghui
Electric transport calculations: errorDr Haider Abbas022392011/03/28 16:14
by Dr Haider Abbas
New development of OpenMXMauro Sgroi223422011/03/10 04:29
by Mauro Sgroi
Include external fileJan Sommer019892011/03/04 00:47
by Jan Sommer
Assigning initial charges to atoms in an input fileDerek Stewart124322011/03/03 11:07
by T.Ozaki
Collection of Utilities/Tools to create input filesJan Sommer022652011/03/02 23:58
by Jan Sommer
A few questions about adpack 2.1G. Faccin128952011/02/01 22:06
by T.Ozaki
tight binding parameter extractionJ. Chang236782011/01/13 02:07
by J. Chang
Difference Charge DensityGabriel Greene131162010/12/10 09:40
by T.Ozaki
Re: Difference Charge densityGabriel Greene020812010/12/10 00:14
by Gabriel Greene
BFGS results change with number of processorsSarah Jones125042010/12/02 23:20
by T.Ozaki
Minor patch for bandgnu13.cH. Jeong125742010/11/29 21:46
by T.Ozaki
ESPGabriel Greene228562010/11/26 23:37
by Gabriel Greene
Transmission calculations with non-collinear spin DFTWendy228642010/11/25 05:32
by Wendy
Ghost state in Cu TM KB pseudopotential as a function of local component choiceMilica031322010/11/17 04:32
by Milica
transport, # channelsGabriel Greene026072010/10/30 21:01
by Gabriel Greene
One-dimensional systems in OpenMX v3.4Lyudmila Fomina020882010/10/28 23:24
by Lyudmila Fomina
Installing ADPACK on MacElon Weintraub028952010/09/27 08:29
by Elon Weintraub
The imprimation of TRAN_Poisson for the boundary conditionYukihiro Okuno028592010/08/25 17:24
by Yukihiro Okuno
Hellman Feynman Force in NEGF calculationJuilian Josef026102010/08/18 23:04
by Juilian Josef
SCF problem with the same periodic structureDinh Loc Duong040802010/07/21 10:44
by Dinh Loc Duong
Transport with non collinear calculationJ. Chang025212010/06/28 04:14
by J. Chang
Negative transmission coefficient valuesPriyamvada Jadaun029742010/06/19 06:05
by Priyamvada Jadaun
Is the Orbital Optimization variational with rispect to the Total Energy?Mauro025642010/06/02 00:46
by Mauro
Band gap of carbon nanotube is dependent of cell size Dinh Loc Duong032082010/05/26 10:15
by Dinh Loc Duong
How to properly calculate atoms?jlrch024482010/05/20 04:21
by jlrch
61 atom Fe wire lead, achieving converganceGabriel Greene129112010/05/13 17:46
by JH Parq
Can not get the output file,ie *.out but can get other output files like *.std,*.cifDimpy 026502010/05/02 23:42
by Dimpy
Interatomic forces at close distancesDaniel127392010/04/22 05:29
by Daniel
A question about nanotube applicationsHonggyu Kim046942010/04/08 20:12
by Honggyu Kim
execution of oenmx in parallel environment (using mpirun) result in error failed to save rst fileharish028092010/04/08 09:39
by harish
one problem when running the calculationyang358412010/04/07 09:22
by yang
TranMain not compilingGabriel Greene118932010/04/04 19:43
by azamat
Can anyone tell me how to set the "Atoms.UnitVectors “?yang030632010/03/31 17:53
by yang
Density of states for a large semiconductor systemmiher027092010/03/30 23:03
by miher
Silver bulk modulusB.Martins034192010/03/15 03:43
by B.Martins
Vibration and PhononsMauro Sgroi032262010/02/24 22:45
by Mauro Sgroi
On the calculation of the band offset in OpenMXOkuno031782010/02/19 01:12
by Okuno
Optimizeshahryar zeynali025532010/02/05 03:09
by shahryar zeynali
Differing results from openmx -runtest for gcc and ifortJ. J. Ramsey477972010/02/03 15:52
by Kim, Minsung

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