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

List of Threads

Topics Author Replies Views Last Modified
convergence problems with OpenMX 3.6Denis Music1382702011/11/16 14:42
by T.Ozaki
Problem with Band structureDimpy Sharma424312011/11/15 02:52
by Dimpy Sharma
OpenMX ver.3.6 compilation with -DnompiN.Kolchenko339722011/11/14 17:26
by T.Ozaki
Definition of Orbitals in version 3.6Hadi Arefi118202011/11/14 17:19
by T.Ozaki
patch3.6.1 to OpenMX Ver. 3.6T.Ozaki038622011/11/14 17:07
by T.Ozaki
Postprocessing - "Analysis of ..." N.Kolchenko223472011/11/13 02:26
by N.Kolchenko
Ab initio determination of Hubbard parameter UMauro Sgroi222222011/11/12 05:48
by Mauro Sgroi
Ghost orbitalHadi Arefi130222011/11/11 22:21
by T.Ozaki
New version of OpenMxDimpy Sharma122222011/11/11 22:16
by T.Ozaki
PAO and VPSRakesh Kar121242011/11/11 22:09
by T.Ozaki
The conventions for real spherical harmonics in OpenMXH.334612011/11/11 21:55
by T.Ozaki
Release of OpenMX Ver. 3.6T.Ozaki018042011/11/10 17:31
by T.Ozaki
scf convergence problemj237392011/11/03 07:46
by jhlee
Better convergence for larger number of processors in case non-collinear calculations with SOCJohannes Voss121602011/10/27 17:40
by N.Kolchenko
Strange Mulliken Populations using new PAO in NEGFSarah Jones232622011/10/18 17:47
by Sarah Jones
"oddity" with odd number of statesN.Kolchenko 242872011/10/12 20:27
by N.Kolchenko
EvsLC MD.Type?Reda BOUFATAH119812011/10/12 17:02
by T.Ozaki
Transport including spin-orbit interactionErnesto O. Wrasse119202011/10/10 02:26
by Jiwon
ADPACK Ver. 2.2, Database 2011, and patch for OpenMX Ver. 3.5T.Ozaki528022011/10/01 07:02
by N.Kolchenko
Segfaults during memory accesses in Band_DFT_Col.cRenato Miceli1176812011/10/01 00:45
by Renato Miceli
Problem in Orbital optimisationDimpy Sharma121072011/09/29 21:01
by T.Ozaki
about nanoscale cluster motifsanjeev singh122972011/09/26 21:42
by N.Kolchenko
AO and PAOJulio Aguiar222272011/09/07 07:06
by Julio Aguiar
bandgnu13.c compilation errorsanjeev120852011/09/07 00:54
by T.Ozaki
problems in band dispersionwsajad324052011/09/03 16:44
by Sajad Ahmad
Array index out of bounds causes segfault in TRAN_Set_CentOverlap.cRenato Miceli232302011/09/02 04:33
by Renato Miceli
Inlen ComposerXE (ver. 12) : optimazation errorA. M. Ito139102011/08/30 15:08
by T.Ozaki
The patch (Ver.3.5.2) of OpenMX Ver. 3.5T.Ozaki018512011/08/30 15:06
by T.Ozaki
vps calculated by LDAwsajad219462011/08/28 17:36
by wsajad
Fermi level is not at the middle of the gapDinh Loc Duong4101352011/08/26 17:43
by T.Ozaki
Enquiry with Band structureDimpy Sharma124852011/08/26 17:28
by T.Ozaki
Question about GGA+Urocdawn237362011/08/23 15:10
by wsajad
Atoms.UnitVectors.Unit wsajad122122011/08/22 03:34
by mahyar
constant magnetismGabriel Greene329652011/08/22 03:29
by mahyar
slow convergence of small clusterssanjeev226542011/08/11 03:15
by N.Kolchenko
problem in band dispersionwsajad017942011/08/08 21:06
by wsajad
where to set gamma poin in the input file?wsajad018292011/08/06 15:08
by wsajad
Long directory path for argument DATA.PATH in the input file causes OpenMX to segfaultRenato Miceli125262011/08/05 01:47
by T.Ozaki
Spherical Bessel TransformJulio Aguiar121862011/08/02 00:14
by T.Ozaki
out-put vizualisationsanjeev121932011/07/30 00:42
by T.Ozaki
Utotal is positive and high enoughwsajad124882011/07/30 00:37
by T.Ozaki
Unexisting input file causes TranMain to segfaultRenato Miceli120662011/07/30 00:35
by T.Ozaki
error in calculations of dos wsajad531492011/07/25 15:10
by wsajad
Use of symmetry in OpenmxMauro Sgroi227282011/07/22 22:46
by Mauro Sgroi
why Uele is zero in NEGF (step2)?arlonne218992011/07/12 15:21
by arlonne
whether we are calculating for bulk or nanowsajad424732011/07/11 21:16
by T.Ozaki
error in running wsajad221312011/07/11 16:14
by wsajad
Atoms.SpeciesAndCoordinatesJulio Aguiar121402011/07/06 00:46
by T.Ozaki
input file for the sfc calculations of PbMnTe & CdMnTeidris220092011/06/30 16:47
by idri
Geometry optimization and restart files in parallel (on many nodes)Mauro Sgroi741202011/06/21 19:25
by Mauro Sgroi

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] [29] [30]


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


- Web Patio -