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Topics Author Replies Views Last Modified
Re: Difference Charge densityGabriel Greene019872010/12/10 00:14
by Gabriel Greene
BFGS results change with number of processorsSarah Jones123972010/12/02 23:20
by T.Ozaki
Minor patch for bandgnu13.cH. Jeong124912010/11/29 21:46
by T.Ozaki
ESPGabriel Greene227582010/11/26 23:37
by Gabriel Greene
Transmission calculations with non-collinear spin DFTWendy227722010/11/25 05:32
by Wendy
Ghost state in Cu TM KB pseudopotential as a function of local component choiceMilica030242010/11/17 04:32
by Milica
transport, # channelsGabriel Greene025162010/10/30 21:01
by Gabriel Greene
One-dimensional systems in OpenMX v3.4Lyudmila Fomina019962010/10/28 23:24
by Lyudmila Fomina
Installing ADPACK on MacElon Weintraub027982010/09/27 08:29
by Elon Weintraub
The imprimation of TRAN_Poisson for the boundary conditionYukihiro Okuno027522010/08/25 17:24
by Yukihiro Okuno
Hellman Feynman Force in NEGF calculationJuilian Josef025032010/08/18 23:04
by Juilian Josef
SCF problem with the same periodic structureDinh Loc Duong039892010/07/21 10:44
by Dinh Loc Duong
Transport with non collinear calculationJ. Chang024382010/06/28 04:14
by J. Chang
Negative transmission coefficient valuesPriyamvada Jadaun028742010/06/19 06:05
by Priyamvada Jadaun
Is the Orbital Optimization variational with rispect to the Total Energy?Mauro024742010/06/02 00:46
by Mauro
Band gap of carbon nanotube is dependent of cell size Dinh Loc Duong031102010/05/26 10:15
by Dinh Loc Duong
How to properly calculate atoms?jlrch023572010/05/20 04:21
by jlrch
61 atom Fe wire lead, achieving converganceGabriel Greene128132010/05/13 17:46
by JH Parq
Can not get the output file,ie *.out but can get other output files like *.std,*.cifDimpy 025552010/05/02 23:42
by Dimpy
Interatomic forces at close distancesDaniel126602010/04/22 05:29
by Daniel
A question about nanotube applicationsHonggyu Kim045882010/04/08 20:12
by Honggyu Kim
execution of oenmx in parallel environment (using mpirun) result in error failed to save rst fileharish027212010/04/08 09:39
by harish
one problem when running the calculationyang357082010/04/07 09:22
by yang
TranMain not compilingGabriel Greene117932010/04/04 19:43
by azamat
Can anyone tell me how to set the "Atoms.UnitVectors “?yang029302010/03/31 17:53
by yang
Density of states for a large semiconductor systemmiher026092010/03/30 23:03
by miher
Silver bulk modulusB.Martins033092010/03/15 03:43
by B.Martins
Vibration and PhononsMauro Sgroi031212010/02/24 22:45
by Mauro Sgroi
On the calculation of the band offset in OpenMXOkuno030812010/02/19 01:12
by Okuno
Optimizeshahryar zeynali024572010/02/05 03:09
by shahryar zeynali
Differing results from openmx -runtest for gcc and ifortJ. J. Ramsey476752010/02/03 15:52
by Kim, Minsung
heat conductivity within NEGF?Denis127752010/01/29 13:21
by T.Ozaki
Compare the chemical potential of two systemDinh Loc Duong150952010/01/29 13:18
by T.Ozaki
kGridshahryar zeynali023592010/01/17 03:29
by shahryar zeynali
input fileshahryar zeynali126692010/01/11 05:01
by shahryar zeynali
Required jafar azamat227602010/01/09 03:29
by shahryar zeynali
Workstation is hung-upT.Igarashi130282009/12/16 20:03
by mabeja
Problem compile OPENMX3.5Dinh Loc Duong229142009/12/01 19:10
by Rainer Heintzmann
Log Mesh of PAOLiao Chen129792009/12/01 13:19
by Masayuki Toyoda
DrR K Pandey226202009/11/07 04:13
by shahryar
Isotope effect Dinh Loc Duong224442009/11/05 17:37
by jafar azamat
Requiredjafar azamat023522009/11/01 20:09
by jafar azamat
The effective potentialYen-Hsun Su125902009/10/29 22:54
by T.Ozaki
A compilation problem of OpenMx 3.4.4 in Centos5.3wangdb883232009/09/01 02:38
by Phil
unit cell optimizationPhilip027482009/07/21 06:20
by Philip
Low memory utility rate kuofeng029492009/06/18 18:43
by kuofeng
Cube file for each time stepSpelnikov Dmitry028702009/06/10 19:43
by Spelnikov Dmitry
Bug in the function "Band_DFT_MO_NonCol" in every versionJeong027472009/06/04 23:01
by Jeong
openmx suspected memory leak?Alin M Elena031462009/05/20 19:00
by Alin M Elena
Parallel runs crash on one cluster but not the other Baruch Feldman132432009/05/08 18:52
by Baruch Feldman

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