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Topics Author Replies Views Last Modified
how to create a nano system input file?ajaz020292011/11/19 15:05
by ajaz
openmx3.4 installation problemDaniel 332912011/11/19 12:32
by Dr. Amar Bahadur
variable cell relaxation in OpenMXJess125772011/11/18 18:43
by T.Ozaki
How to calculate Bulk Modulus using this codeSajad Ahmad428012011/11/16 20:34
by Sajad Ahmad
convergence problems with OpenMX 3.6Denis Music1385342011/11/16 14:42
by T.Ozaki
Problem with Band structureDimpy Sharma426582011/11/15 02:52
by Dimpy Sharma
OpenMX ver.3.6 compilation with -DnompiN.Kolchenko342572011/11/14 17:26
by T.Ozaki
Definition of Orbitals in version 3.6Hadi Arefi120362011/11/14 17:19
by T.Ozaki
patch3.6.1 to OpenMX Ver. 3.6T.Ozaki041012011/11/14 17:07
by T.Ozaki
Postprocessing - "Analysis of ..." N.Kolchenko225712011/11/13 02:26
by N.Kolchenko
Ab initio determination of Hubbard parameter UMauro Sgroi224412011/11/12 05:48
by Mauro Sgroi
Ghost orbitalHadi Arefi132962011/11/11 22:21
by T.Ozaki
New version of OpenMxDimpy Sharma124432011/11/11 22:16
by T.Ozaki
PAO and VPSRakesh Kar123372011/11/11 22:09
by T.Ozaki
The conventions for real spherical harmonics in OpenMXH.337322011/11/11 21:55
by T.Ozaki
Release of OpenMX Ver. 3.6T.Ozaki020212011/11/10 17:31
by T.Ozaki
scf convergence problemj239642011/11/03 07:46
by jhlee
Better convergence for larger number of processors in case non-collinear calculations with SOCJohannes Voss123752011/10/27 17:40
by N.Kolchenko
Strange Mulliken Populations using new PAO in NEGFSarah Jones235082011/10/18 17:47
by Sarah Jones
"oddity" with odd number of statesN.Kolchenko 245582011/10/12 20:27
by N.Kolchenko
EvsLC MD.Type?Reda BOUFATAH121972011/10/12 17:02
by T.Ozaki
Transport including spin-orbit interactionErnesto O. Wrasse121302011/10/10 02:26
by Jiwon
ADPACK Ver. 2.2, Database 2011, and patch for OpenMX Ver. 3.5T.Ozaki530462011/10/01 07:02
by N.Kolchenko
Segfaults during memory accesses in Band_DFT_Col.cRenato Miceli1180502011/10/01 00:45
by Renato Miceli
Problem in Orbital optimisationDimpy Sharma123152011/09/29 21:01
by T.Ozaki
about nanoscale cluster motifsanjeev singh125242011/09/26 21:42
by N.Kolchenko
AO and PAOJulio Aguiar224702011/09/07 07:06
by Julio Aguiar
bandgnu13.c compilation errorsanjeev123022011/09/07 00:54
by T.Ozaki
problems in band dispersionwsajad326352011/09/03 16:44
by Sajad Ahmad
Array index out of bounds causes segfault in TRAN_Set_CentOverlap.cRenato Miceli234772011/09/02 04:33
by Renato Miceli
Inlen ComposerXE (ver. 12) : optimazation errorA. M. Ito141402011/08/30 15:08
by T.Ozaki
The patch (Ver.3.5.2) of OpenMX Ver. 3.5T.Ozaki020552011/08/30 15:06
by T.Ozaki
vps calculated by LDAwsajad221642011/08/28 17:36
by wsajad
Fermi level is not at the middle of the gapDinh Loc Duong4105212011/08/26 17:43
by T.Ozaki
Enquiry with Band structureDimpy Sharma127092011/08/26 17:28
by T.Ozaki
Question about GGA+Urocdawn240782011/08/23 15:10
by wsajad
Atoms.UnitVectors.Unit wsajad124282011/08/22 03:34
by mahyar
constant magnetismGabriel Greene331782011/08/22 03:29
by mahyar
slow convergence of small clusterssanjeev228992011/08/11 03:15
by N.Kolchenko
problem in band dispersionwsajad020102011/08/08 21:06
by wsajad
where to set gamma poin in the input file?wsajad020342011/08/06 15:08
by wsajad
Long directory path for argument DATA.PATH in the input file causes OpenMX to segfaultRenato Miceli127552011/08/05 01:47
by T.Ozaki
Spherical Bessel TransformJulio Aguiar124072011/08/02 00:14
by T.Ozaki
out-put vizualisationsanjeev124052011/07/30 00:42
by T.Ozaki
Utotal is positive and high enoughwsajad127142011/07/30 00:37
by T.Ozaki
Unexisting input file causes TranMain to segfaultRenato Miceli122952011/07/30 00:35
by T.Ozaki
error in calculations of dos wsajad533572011/07/25 15:10
by wsajad
Use of symmetry in OpenmxMauro Sgroi230522011/07/22 22:46
by Mauro Sgroi
why Uele is zero in NEGF (step2)?arlonne221042011/07/12 15:21
by arlonne
whether we are calculating for bulk or nanowsajad426992011/07/11 21:16
by T.Ozaki

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