OpenMX Forum
New Thread | Return Home | Mailing List | Points of Concern | Search | Past Log | Administration    

List of Threads

Topics Author Replies Views Last Modified
out-put vizualisationsanjeev120662011/07/30 00:42
by T.Ozaki
Utotal is positive and high enoughwsajad123442011/07/30 00:37
by T.Ozaki
Unexisting input file causes TranMain to segfaultRenato Miceli119072011/07/30 00:35
by T.Ozaki
error in calculations of dos wsajad530102011/07/25 15:10
by wsajad
Use of symmetry in OpenmxMauro Sgroi225412011/07/22 22:46
by Mauro Sgroi
why Uele is zero in NEGF (step2)?arlonne217722011/07/12 15:21
by arlonne
whether we are calculating for bulk or nanowsajad423492011/07/11 21:16
by T.Ozaki
error in running wsajad219712011/07/11 16:14
by wsajad
Atoms.SpeciesAndCoordinatesJulio Aguiar119912011/07/06 00:46
by T.Ozaki
input file for the sfc calculations of PbMnTe & CdMnTeidris218602011/06/30 16:47
by idri
Geometry optimization and restart files in parallel (on many nodes)Mauro Sgroi739722011/06/21 19:25
by Mauro Sgroi
GPUDenis Music120282011/06/09 01:01
by T.Ozaki
DOS calculation by OpenMxSheelan SC948692011/06/08 19:35
by Sheelan SC
DOS and NEGFAlejandro Leon226262011/06/01 15:29
by Sheelan SC
performance against Siesta, any impression?David323662011/05/29 21:42
by T.Ozaki
Transmission lida118962011/05/28 10:05
by T.Ozaki
DZP equivalent basisDavid523982011/05/25 23:48
by T.Ozaki
Release of OpenMX Ver.3.5T.Ozaki544072011/05/22 04:13
by David
question on MLWF in Noncolinear calculationjchang123382011/05/21 00:36
by T.Ozaki
Tight Binding parameter extract from MLWFKF136482011/05/20 23:27
by jchang
Bug in function Cluster_collinearRenato Miceli823482011/05/13 21:41
by Renato Miceli
OpenMX CDWole118662011/05/04 21:49
by T. Ozaki
Memory & new versionJan Rusz126952011/05/04 21:08
by T. Ozaki
Dr.SciKuznetsov118142011/05/04 20:22
by T. Ozaki
hamiltonian matrix and overlap filesxianghui429932011/04/06 22:51
by xianghui
Electric transport calculations: errorDr Haider Abbas019902011/03/28 16:14
by Dr Haider Abbas
New development of OpenMXMauro Sgroi220992011/03/10 04:29
by Mauro Sgroi
Include external fileJan Sommer017422011/03/04 00:47
by Jan Sommer
Assigning initial charges to atoms in an input fileDerek Stewart121372011/03/03 11:07
by T.Ozaki
Collection of Utilities/Tools to create input filesJan Sommer019942011/03/02 23:58
by Jan Sommer
A few questions about adpack 2.1G. Faccin126072011/02/01 22:06
by T.Ozaki
tight binding parameter extractionJ. Chang233282011/01/13 02:07
by J. Chang
Difference Charge DensityGabriel Greene128452010/12/10 09:40
by T.Ozaki
Re: Difference Charge densityGabriel Greene018232010/12/10 00:14
by Gabriel Greene
BFGS results change with number of processorsSarah Jones122392010/12/02 23:20
by T.Ozaki
Minor patch for bandgnu13.cH. Jeong123202010/11/29 21:46
by T.Ozaki
ESPGabriel Greene225812010/11/26 23:37
by Gabriel Greene
Transmission calculations with non-collinear spin DFTWendy226102010/11/25 05:32
by Wendy
Ghost state in Cu TM KB pseudopotential as a function of local component choiceMilica028472010/11/17 04:32
by Milica
transport, # channelsGabriel Greene023422010/10/30 21:01
by Gabriel Greene
One-dimensional systems in OpenMX v3.4Lyudmila Fomina018372010/10/28 23:24
by Lyudmila Fomina
Installing ADPACK on MacElon Weintraub026432010/09/27 08:29
by Elon Weintraub
The imprimation of TRAN_Poisson for the boundary conditionYukihiro Okuno025832010/08/25 17:24
by Yukihiro Okuno
Hellman Feynman Force in NEGF calculationJuilian Josef023392010/08/18 23:04
by Juilian Josef
SCF problem with the same periodic structureDinh Loc Duong038182010/07/21 10:44
by Dinh Loc Duong
Transport with non collinear calculationJ. Chang022812010/06/28 04:14
by J. Chang
Negative transmission coefficient valuesPriyamvada Jadaun027102010/06/19 06:05
by Priyamvada Jadaun
Is the Orbital Optimization variational with rispect to the Total Energy?Mauro023212010/06/02 00:46
by Mauro
Band gap of carbon nanotube is dependent of cell size Dinh Loc Duong029422010/05/26 10:15
by Dinh Loc Duong
How to properly calculate atoms?jlrch022112010/05/20 04:21
by jlrch

Page: [1] [2] [3] [4] [5] [6] [7] [8] [9] [10] [11] [12] [13] [14] [15] [16] [17] [18] [19] [20] [21] [22] [23] [24] [25] [26] [27] [28]


Open Thread    Locked Thread    Alarm(More than 900 replies)   Message from Administrator


- Web Patio -