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variable cell relaxation in OpenMXJess116232011/11/18 18:43
by T.Ozaki
How to calculate Bulk Modulus using this codeSajad Ahmad419392011/11/16 20:34
by Sajad Ahmad
convergence problems with OpenMX 3.6Denis Music1373342011/11/16 14:42
by T.Ozaki
Problem with Band structureDimpy Sharma417222011/11/15 02:52
by Dimpy Sharma
OpenMX ver.3.6 compilation with -DnompiN.Kolchenko332122011/11/14 17:26
by T.Ozaki
Definition of Orbitals in version 3.6Hadi Arefi110902011/11/14 17:19
by T.Ozaki
patch3.6.1 to OpenMX Ver. 3.6T.Ozaki030842011/11/14 17:07
by T.Ozaki
Postprocessing - "Analysis of ..." N.Kolchenko216112011/11/13 02:26
by N.Kolchenko
Ab initio determination of Hubbard parameter UMauro Sgroi215382011/11/12 05:48
by Mauro Sgroi
Ghost orbitalHadi Arefi122532011/11/11 22:21
by T.Ozaki
New version of OpenMxDimpy Sharma115202011/11/11 22:16
by T.Ozaki
PAO and VPSRakesh Kar114722011/11/11 22:09
by T.Ozaki
The conventions for real spherical harmonics in OpenMXH.326672011/11/11 21:55
by T.Ozaki
Release of OpenMX Ver. 3.6T.Ozaki011772011/11/10 17:31
by T.Ozaki
scf convergence problemj228732011/11/03 07:46
by jhlee
Better convergence for larger number of processors in case non-collinear calculations with SOCJohannes Voss115162011/10/27 17:40
by N.Kolchenko
Strange Mulliken Populations using new PAO in NEGFSarah Jones224842011/10/18 17:47
by Sarah Jones
"oddity" with odd number of statesN.Kolchenko 234162011/10/12 20:27
by N.Kolchenko
EvsLC MD.Type?Reda BOUFATAH113032011/10/12 17:02
by T.Ozaki
Transport including spin-orbit interactionErnesto O. Wrasse112382011/10/10 02:26
by Jiwon
ADPACK Ver. 2.2, Database 2011, and patch for OpenMX Ver. 3.5T.Ozaki520402011/10/01 07:02
by N.Kolchenko
Segfaults during memory accesses in Band_DFT_Col.cRenato Miceli1166132011/10/01 00:45
by Renato Miceli
Problem in Orbital optimisationDimpy Sharma114612011/09/29 21:01
by T.Ozaki
about nanoscale cluster motifsanjeev singh116432011/09/26 21:42
by N.Kolchenko
AO and PAOJulio Aguiar215662011/09/07 07:06
by Julio Aguiar
bandgnu13.c compilation errorsanjeev114202011/09/07 00:54
by T.Ozaki
problems in band dispersionwsajad315282011/09/03 16:44
by Sajad Ahmad
Array index out of bounds causes segfault in TRAN_Set_CentOverlap.cRenato Miceli224142011/09/02 04:33
by Renato Miceli
Inlen ComposerXE (ver. 12) : optimazation errorA. M. Ito130942011/08/30 15:08
by T.Ozaki
The patch (Ver.3.5.2) of OpenMX Ver. 3.5T.Ozaki012082011/08/30 15:06
by T.Ozaki
vps calculated by LDAwsajad212882011/08/28 17:36
by wsajad
Fermi level is not at the middle of the gapDinh Loc Duong483932011/08/26 17:43
by T.Ozaki
Enquiry with Band structureDimpy Sharma117862011/08/26 17:28
by T.Ozaki
Question about GGA+Urocdawn228232011/08/23 15:10
by wsajad
Atoms.UnitVectors.Unit wsajad114692011/08/22 03:34
by mahyar
constant magnetismGabriel Greene322782011/08/22 03:29
by mahyar
slow convergence of small clusterssanjeev218222011/08/11 03:15
by N.Kolchenko
problem in band dispersionwsajad011252011/08/08 21:06
by wsajad
where to set gamma poin in the input file?wsajad011762011/08/06 15:08
by wsajad
Long directory path for argument DATA.PATH in the input file causes OpenMX to segfaultRenato Miceli116862011/08/05 01:47
by T.Ozaki
Spherical Bessel TransformJulio Aguiar115262011/08/02 00:14
by T.Ozaki
out-put vizualisationsanjeev115162011/07/30 00:42
by T.Ozaki
Utotal is positive and high enoughwsajad117312011/07/30 00:37
by T.Ozaki
Unexisting input file causes TranMain to segfaultRenato Miceli113382011/07/30 00:35
by T.Ozaki
error in calculations of dos wsajad523612011/07/25 15:10
by wsajad
Use of symmetry in OpenmxMauro Sgroi218202011/07/22 22:46
by Mauro Sgroi
why Uele is zero in NEGF (step2)?arlonne212532011/07/12 15:21
by arlonne
whether we are calculating for bulk or nanowsajad417772011/07/11 21:16
by T.Ozaki
error in running wsajad213992011/07/11 16:14
by wsajad
Atoms.SpeciesAndCoordinatesJulio Aguiar114412011/07/06 00:46
by T.Ozaki

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