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Topics Author Replies Views Last Modified
question on MLWF in Noncolinear calculationjchang114162011/05/21 00:36
by T.Ozaki
Tight Binding parameter extract from MLWFKF125932011/05/20 23:27
by jchang
Bug in function Cluster_collinearRenato Miceli813522011/05/13 21:41
by Renato Miceli
OpenMX CDWole110642011/05/04 21:49
by T. Ozaki
Memory & new versionJan Rusz117022011/05/04 21:08
by T. Ozaki
Dr.SciKuznetsov19962011/05/04 20:22
by T. Ozaki
hamiltonian matrix and overlap filesxianghui419872011/04/06 22:51
by xianghui
Electric transport calculations: errorDr Haider Abbas011522011/03/28 16:14
by Dr Haider Abbas
New development of OpenMXMauro Sgroi213032011/03/10 04:29
by Mauro Sgroi
Include external fileJan Sommer09032011/03/04 00:47
by Jan Sommer
Assigning initial charges to atoms in an input fileDerek Stewart112112011/03/03 11:07
by T.Ozaki
Collection of Utilities/Tools to create input filesJan Sommer011472011/03/02 23:58
by Jan Sommer
A few questions about adpack 2.1G. Faccin116412011/02/01 22:06
by T.Ozaki
tight binding parameter extractionJ. Chang222552011/01/13 02:07
by J. Chang
Difference Charge DensityGabriel Greene118902010/12/10 09:40
by T.Ozaki
Re: Difference Charge densityGabriel Greene010122010/12/10 00:14
by Gabriel Greene
BFGS results change with number of processorsSarah Jones113912010/12/02 23:20
by T.Ozaki
Minor patch for bandgnu13.cH. Jeong114472010/11/29 21:46
by T.Ozaki
ESPGabriel Greene215482010/11/26 23:37
by Gabriel Greene
Transmission calculations with non-collinear spin DFTWendy217922010/11/25 05:32
by Wendy
Ghost state in Cu TM KB pseudopotential as a function of local component choiceMilica019852010/11/17 04:32
by Milica
transport, # channelsGabriel Greene014592010/10/30 21:01
by Gabriel Greene
One-dimensional systems in OpenMX v3.4Lyudmila Fomina010512010/10/28 23:24
by Lyudmila Fomina
Installing ADPACK on MacElon Weintraub016902010/09/27 08:29
by Elon Weintraub
The imprimation of TRAN_Poisson for the boundary conditionYukihiro Okuno017272010/08/25 17:24
by Yukihiro Okuno
Hellman Feynman Force in NEGF calculationJuilian Josef015152010/08/18 23:04
by Juilian Josef
SCF problem with the same periodic structureDinh Loc Duong027222010/07/21 10:44
by Dinh Loc Duong
Transport with non collinear calculationJ. Chang014632010/06/28 04:14
by J. Chang
Negative transmission coefficient valuesPriyamvada Jadaun017492010/06/19 06:05
by Priyamvada Jadaun
Is the Orbital Optimization variational with rispect to the Total Energy?Mauro015362010/06/02 00:46
by Mauro
Band gap of carbon nanotube is dependent of cell size Dinh Loc Duong021052010/05/26 10:15
by Dinh Loc Duong
How to properly calculate atoms?jlrch014702010/05/20 04:21
by jlrch
61 atom Fe wire lead, achieving converganceGabriel Greene118702010/05/13 17:46
by JH Parq
Can not get the output file,ie *.out but can get other output files like *.std,*.cifDimpy 015792010/05/02 23:42
by Dimpy
Interatomic forces at close distancesDaniel117182010/04/22 05:29
by Daniel
A question about nanotube applicationsHonggyu Kim034942010/04/08 20:12
by Honggyu Kim
execution of oenmx in parallel environment (using mpirun) result in error failed to save rst fileharish017262010/04/08 09:39
by harish
one problem when running the calculationyang339002010/04/07 09:22
by yang
TranMain not compilingGabriel Greene17922010/04/04 19:43
by azamat
Can anyone tell me how to set the "Atoms.UnitVectors “?yang018282010/03/31 17:53
by yang
Density of states for a large semiconductor systemmiher015962010/03/30 23:03
by miher
Silver bulk modulusB.Martins022502010/03/15 03:43
by B.Martins
Vibration and PhononsMauro Sgroi020562010/02/24 22:45
by Mauro Sgroi
On the calculation of the band offset in OpenMXOkuno020922010/02/19 01:12
by Okuno
Optimizeshahryar zeynali015352010/02/05 03:09
by shahryar zeynali
Differing results from openmx -runtest for gcc and ifortJ. J. Ramsey465492010/02/03 15:52
by Kim, Minsung
heat conductivity within NEGF?Denis118022010/01/29 13:21
by T.Ozaki
Compare the chemical potential of two systemDinh Loc Duong137932010/01/29 13:18
by T.Ozaki
kGridshahryar zeynali013732010/01/17 03:29
by shahryar zeynali
input fileshahryar zeynali116992010/01/11 05:01
by shahryar zeynali

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