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Topics Author Replies Views Last Modified
Long directory path for argument DATA.PATH in the input file causes OpenMX to segfaultRenato Miceli112612011/08/05 01:47
by T.Ozaki
Spherical Bessel TransformJulio Aguiar112462011/08/02 00:14
by T.Ozaki
out-put vizualisationsanjeev112622011/07/30 00:42
by T.Ozaki
Utotal is positive and high enoughwsajad113972011/07/30 00:37
by T.Ozaki
Unexisting input file causes TranMain to segfaultRenato Miceli110862011/07/30 00:35
by T.Ozaki
error in calculations of dos wsajad519682011/07/25 15:10
by wsajad
Use of symmetry in OpenmxMauro Sgroi215122011/07/22 22:46
by Mauro Sgroi
why Uele is zero in NEGF (step2)?arlonne210062011/07/12 15:21
by arlonne
whether we are calculating for bulk or nanowsajad415212011/07/11 21:16
by T.Ozaki
error in running wsajad211212011/07/11 16:14
by wsajad
Atoms.SpeciesAndCoordinatesJulio Aguiar111582011/07/06 00:46
by T.Ozaki
input file for the sfc calculations of PbMnTe & CdMnTeidris210272011/06/30 16:47
by idri
Geometry optimization and restart files in parallel (on many nodes)Mauro Sgroi729502011/06/21 19:25
by Mauro Sgroi
GPUDenis Music112352011/06/09 01:01
by T.Ozaki
DOS calculation by OpenMxSheelan SC934632011/06/08 19:35
by Sheelan SC
DOS and NEGFAlejandro Leon218362011/06/01 15:29
by Sheelan SC
performance against Siesta, any impression?David315852011/05/29 21:42
by T.Ozaki
Transmission lida111332011/05/28 10:05
by T.Ozaki
DZP equivalent basisDavid515842011/05/25 23:48
by T.Ozaki
Release of OpenMX Ver.3.5T.Ozaki533652011/05/22 04:13
by David
question on MLWF in Noncolinear calculationjchang114532011/05/21 00:36
by T.Ozaki
Tight Binding parameter extract from MLWFKF126302011/05/20 23:27
by jchang
Bug in function Cluster_collinearRenato Miceli813722011/05/13 21:41
by Renato Miceli
OpenMX CDWole110932011/05/04 21:49
by T. Ozaki
Memory & new versionJan Rusz117302011/05/04 21:08
by T. Ozaki
Dr.SciKuznetsov110252011/05/04 20:22
by T. Ozaki
hamiltonian matrix and overlap filesxianghui420232011/04/06 22:51
by xianghui
Electric transport calculations: errorDr Haider Abbas011822011/03/28 16:14
by Dr Haider Abbas
New development of OpenMXMauro Sgroi213322011/03/10 04:29
by Mauro Sgroi
Include external fileJan Sommer09322011/03/04 00:47
by Jan Sommer
Assigning initial charges to atoms in an input fileDerek Stewart112412011/03/03 11:07
by T.Ozaki
Collection of Utilities/Tools to create input filesJan Sommer011762011/03/02 23:58
by Jan Sommer
A few questions about adpack 2.1G. Faccin116682011/02/01 22:06
by T.Ozaki
tight binding parameter extractionJ. Chang222942011/01/13 02:07
by J. Chang
Difference Charge DensityGabriel Greene119212010/12/10 09:40
by T.Ozaki
Re: Difference Charge densityGabriel Greene010432010/12/10 00:14
by Gabriel Greene
BFGS results change with number of processorsSarah Jones114172010/12/02 23:20
by T.Ozaki
Minor patch for bandgnu13.cH. Jeong114772010/11/29 21:46
by T.Ozaki
ESPGabriel Greene215832010/11/26 23:37
by Gabriel Greene
Transmission calculations with non-collinear spin DFTWendy218212010/11/25 05:32
by Wendy
Ghost state in Cu TM KB pseudopotential as a function of local component choiceMilica020102010/11/17 04:32
by Milica
transport, # channelsGabriel Greene014962010/10/30 21:01
by Gabriel Greene
One-dimensional systems in OpenMX v3.4Lyudmila Fomina010812010/10/28 23:24
by Lyudmila Fomina
Installing ADPACK on MacElon Weintraub017162010/09/27 08:29
by Elon Weintraub
The imprimation of TRAN_Poisson for the boundary conditionYukihiro Okuno017572010/08/25 17:24
by Yukihiro Okuno
Hellman Feynman Force in NEGF calculationJuilian Josef015372010/08/18 23:04
by Juilian Josef
SCF problem with the same periodic structureDinh Loc Duong027572010/07/21 10:44
by Dinh Loc Duong
Transport with non collinear calculationJ. Chang014922010/06/28 04:14
by J. Chang
Negative transmission coefficient valuesPriyamvada Jadaun017742010/06/19 06:05
by Priyamvada Jadaun
Is the Orbital Optimization variational with rispect to the Total Energy?Mauro015642010/06/02 00:46
by Mauro

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