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Topics Author Replies Views Last Modified
DZP equivalent basisDavid521002011/05/25 23:48
by T.Ozaki
Release of OpenMX Ver.3.5T.Ozaki540122011/05/22 04:13
by David
question on MLWF in Noncolinear calculationjchang120172011/05/21 00:36
by T.Ozaki
Tight Binding parameter extract from MLWFKF132642011/05/20 23:27
by jchang
Bug in function Cluster_collinearRenato Miceli819892011/05/13 21:41
by Renato Miceli
OpenMX CDWole115742011/05/04 21:49
by T. Ozaki
Memory & new versionJan Rusz123282011/05/04 21:08
by T. Ozaki
Dr.SciKuznetsov115182011/05/04 20:22
by T. Ozaki
hamiltonian matrix and overlap filesxianghui426272011/04/06 22:51
by xianghui
Electric transport calculations: errorDr Haider Abbas016932011/03/28 16:14
by Dr Haider Abbas
New development of OpenMXMauro Sgroi218312011/03/10 04:29
by Mauro Sgroi
Include external fileJan Sommer014372011/03/04 00:47
by Jan Sommer
Assigning initial charges to atoms in an input fileDerek Stewart117982011/03/03 11:07
by T.Ozaki
Collection of Utilities/Tools to create input filesJan Sommer017142011/03/02 23:58
by Jan Sommer
A few questions about adpack 2.1G. Faccin122492011/02/01 22:06
by T.Ozaki
tight binding parameter extractionJ. Chang229832011/01/13 02:07
by J. Chang
Difference Charge DensityGabriel Greene125312010/12/10 09:40
by T.Ozaki
Re: Difference Charge densityGabriel Greene015482010/12/10 00:14
by Gabriel Greene
BFGS results change with number of processorsSarah Jones119542010/12/02 23:20
by T.Ozaki
Minor patch for bandgnu13.cH. Jeong120172010/11/29 21:46
by T.Ozaki
ESPGabriel Greene221872010/11/26 23:37
by Gabriel Greene
Transmission calculations with non-collinear spin DFTWendy223242010/11/25 05:32
by Wendy
Ghost state in Cu TM KB pseudopotential as a function of local component choiceMilica025272010/11/17 04:32
by Milica
transport, # channelsGabriel Greene020272010/10/30 21:01
by Gabriel Greene
One-dimensional systems in OpenMX v3.4Lyudmila Fomina015762010/10/28 23:24
by Lyudmila Fomina
Installing ADPACK on MacElon Weintraub023002010/09/27 08:29
by Elon Weintraub
The imprimation of TRAN_Poisson for the boundary conditionYukihiro Okuno022612010/08/25 17:24
by Yukihiro Okuno
Hellman Feynman Force in NEGF calculationJuilian Josef020312010/08/18 23:04
by Juilian Josef
SCF problem with the same periodic structureDinh Loc Duong034592010/07/21 10:44
by Dinh Loc Duong
Transport with non collinear calculationJ. Chang020002010/06/28 04:14
by J. Chang
Negative transmission coefficient valuesPriyamvada Jadaun023932010/06/19 06:05
by Priyamvada Jadaun
Is the Orbital Optimization variational with rispect to the Total Energy?Mauro020532010/06/02 00:46
by Mauro
Band gap of carbon nanotube is dependent of cell size Dinh Loc Duong026352010/05/26 10:15
by Dinh Loc Duong
How to properly calculate atoms?jlrch019742010/05/20 04:21
by jlrch
61 atom Fe wire lead, achieving converganceGabriel Greene123712010/05/13 17:46
by JH Parq
Can not get the output file,ie *.out but can get other output files like *.std,*.cifDimpy 021562010/05/02 23:42
by Dimpy
Interatomic forces at close distancesDaniel122552010/04/22 05:29
by Daniel
A question about nanotube applicationsHonggyu Kim040792010/04/08 20:12
by Honggyu Kim
execution of oenmx in parallel environment (using mpirun) result in error failed to save rst fileharish022592010/04/08 09:39
by harish
one problem when running the calculationyang349292010/04/07 09:22
by yang
TranMain not compilingGabriel Greene113382010/04/04 19:43
by azamat
Can anyone tell me how to set the "Atoms.UnitVectors “?yang023562010/03/31 17:53
by yang
Density of states for a large semiconductor systemmiher021142010/03/30 23:03
by miher
Silver bulk modulusB.Martins028332010/03/15 03:43
by B.Martins
Vibration and PhononsMauro Sgroi026502010/02/24 22:45
by Mauro Sgroi
On the calculation of the band offset in OpenMXOkuno026082010/02/19 01:12
by Okuno
Optimizeshahryar zeynali020272010/02/05 03:09
by shahryar zeynali
Differing results from openmx -runtest for gcc and ifortJ. J. Ramsey471562010/02/03 15:52
by Kim, Minsung
heat conductivity within NEGF?Denis123282010/01/29 13:21
by T.Ozaki
Compare the chemical potential of two systemDinh Loc Duong144552010/01/29 13:18
by T.Ozaki

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