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Topics Author Replies Views Last Modified
Transmission calculations with non-collinear spin DFTWendy217672010/11/25 05:32
by Wendy
Ghost state in Cu TM KB pseudopotential as a function of local component choiceMilica019602010/11/17 04:32
by Milica
transport, # channelsGabriel Greene014342010/10/30 21:01
by Gabriel Greene
One-dimensional systems in OpenMX v3.4Lyudmila Fomina010222010/10/28 23:24
by Lyudmila Fomina
Installing ADPACK on MacElon Weintraub016692010/09/27 08:29
by Elon Weintraub
The imprimation of TRAN_Poisson for the boundary conditionYukihiro Okuno016992010/08/25 17:24
by Yukihiro Okuno
Hellman Feynman Force in NEGF calculationJuilian Josef014912010/08/18 23:04
by Juilian Josef
SCF problem with the same periodic structureDinh Loc Duong026932010/07/21 10:44
by Dinh Loc Duong
Transport with non collinear calculationJ. Chang014402010/06/28 04:14
by J. Chang
Negative transmission coefficient valuesPriyamvada Jadaun017212010/06/19 06:05
by Priyamvada Jadaun
Is the Orbital Optimization variational with rispect to the Total Energy?Mauro015062010/06/02 00:46
by Mauro
Band gap of carbon nanotube is dependent of cell size Dinh Loc Duong020772010/05/26 10:15
by Dinh Loc Duong
How to properly calculate atoms?jlrch014482010/05/20 04:21
by jlrch
61 atom Fe wire lead, achieving converganceGabriel Greene118462010/05/13 17:46
by JH Parq
Can not get the output file,ie *.out but can get other output files like *.std,*.cifDimpy 015502010/05/02 23:42
by Dimpy
Interatomic forces at close distancesDaniel116932010/04/22 05:29
by Daniel
A question about nanotube applicationsHonggyu Kim034702010/04/08 20:12
by Honggyu Kim
execution of oenmx in parallel environment (using mpirun) result in error failed to save rst fileharish016952010/04/08 09:39
by harish
one problem when running the calculationyang338312010/04/07 09:22
by yang
TranMain not compilingGabriel Greene17652010/04/04 19:43
by azamat
Can anyone tell me how to set the "Atoms.UnitVectors “?yang018002010/03/31 17:53
by yang
Density of states for a large semiconductor systemmiher015662010/03/30 23:03
by miher
Silver bulk modulusB.Martins022242010/03/15 03:43
by B.Martins
Vibration and PhononsMauro Sgroi020242010/02/24 22:45
by Mauro Sgroi
On the calculation of the band offset in OpenMXOkuno020692010/02/19 01:12
by Okuno
Optimizeshahryar zeynali015122010/02/05 03:09
by shahryar zeynali
Differing results from openmx -runtest for gcc and ifortJ. J. Ramsey465292010/02/03 15:52
by Kim, Minsung
heat conductivity within NEGF?Denis117752010/01/29 13:21
by T.Ozaki
Compare the chemical potential of two systemDinh Loc Duong137622010/01/29 13:18
by T.Ozaki
kGridshahryar zeynali013492010/01/17 03:29
by shahryar zeynali
input fileshahryar zeynali116762010/01/11 05:01
by shahryar zeynali
Required jafar azamat217772010/01/09 03:29
by shahryar zeynali
Workstation is hung-upT.Igarashi118942009/12/16 20:03
by mabeja
Problem compile OPENMX3.5Dinh Loc Duong219112009/12/01 19:10
by Rainer Heintzmann
Log Mesh of PAOLiao Chen119772009/12/01 13:19
by Masayuki Toyoda
DrR K Pandey217392009/11/07 04:13
by shahryar
Isotope effect Dinh Loc Duong214792009/11/05 17:37
by jafar azamat
Requiredjafar azamat014042009/11/01 20:09
by jafar azamat
The effective potentialYen-Hsun Su115532009/10/29 22:54
by T.Ozaki
A compilation problem of OpenMx 3.4.4 in Centos5.3wangdb870012009/09/01 02:38
by Phil
unit cell optimizationPhilip017732009/07/21 06:20
by Philip
Low memory utility rate kuofeng019372009/06/18 18:43
by kuofeng
Cube file for each time stepSpelnikov Dmitry018612009/06/10 19:43
by Spelnikov Dmitry
Bug in the function "Band_DFT_MO_NonCol" in every versionJeong018202009/06/04 23:01
by Jeong
openmx suspected memory leak?Alin M Elena021362009/05/20 19:00
by Alin M Elena
Parallel runs crash on one cluster but not the other Baruch Feldman122392009/05/08 18:52
by Baruch Feldman
Definition of chemical potential in OPENMXLoc Duong Dinh120032009/04/10 23:29
by Loc Duong Dinh
Generation of a Pseudopotential for goldGiovani Faccin025522009/03/21 03:11
by Giovani Faccin
question about installation----CC&LIBrocdawn213772009/03/19 14:31
by rocdawn
kutuXiang He011022009/03/16 16:37
by Xiang He

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