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Topics Author Replies Views Last Modified
A question about the momentum matrix elements calculationHung-Lung Huang366822012/01/04 18:31
by Sajad Ahmad
ask for VPS and PAO of Ce and Irchen013822012/01/04 06:37
by chen
optimization of the volumeSajad Ahmad014332012/01/02 20:52
by Sajad Ahmad
problen in makeali119742011/12/30 02:57
by Reda BOUFATAH
[openmx 3.6] DFT_DATA_PATH is undeclared in check_lead.c Reda Boufatah012112011/12/18 04:06
by Reda Boufatah
Format for "MD.Fixed.XYZ" in openmx3.5Zhe115812011/12/17 19:45
by T.Ozaki
how to set CC and LIB to compile openmx 3.6? Sajad Ahmad013972011/11/21 19:01
by Sajad Ahmad
how to create a nano system input file?ajaz013602011/11/19 15:05
by ajaz
openmx3.4 installation problemDaniel 325322011/11/19 12:32
by Dr. Amar Bahadur
variable cell relaxation in OpenMXJess117752011/11/18 18:43
by T.Ozaki
How to calculate Bulk Modulus using this codeSajad Ahmad420722011/11/16 20:34
by Sajad Ahmad
convergence problems with OpenMX 3.6Denis Music1375612011/11/16 14:42
by T.Ozaki
Problem with Band structureDimpy Sharma418712011/11/15 02:52
by Dimpy Sharma
OpenMX ver.3.6 compilation with -DnompiN.Kolchenko333672011/11/14 17:26
by T.Ozaki
Definition of Orbitals in version 3.6Hadi Arefi112632011/11/14 17:19
by T.Ozaki
patch3.6.1 to OpenMX Ver. 3.6T.Ozaki032612011/11/14 17:07
by T.Ozaki
Postprocessing - "Analysis of ..." N.Kolchenko217942011/11/13 02:26
by N.Kolchenko
Ab initio determination of Hubbard parameter UMauro Sgroi216792011/11/12 05:48
by Mauro Sgroi
Ghost orbitalHadi Arefi124472011/11/11 22:21
by T.Ozaki
New version of OpenMxDimpy Sharma116822011/11/11 22:16
by T.Ozaki
PAO and VPSRakesh Kar116032011/11/11 22:09
by T.Ozaki
The conventions for real spherical harmonics in OpenMXH.328262011/11/11 21:55
by T.Ozaki
Release of OpenMX Ver. 3.6T.Ozaki013192011/11/10 17:31
by T.Ozaki
scf convergence problemj230582011/11/03 07:46
by jhlee
Better convergence for larger number of processors in case non-collinear calculations with SOCJohannes Voss116522011/10/27 17:40
by N.Kolchenko
Strange Mulliken Populations using new PAO in NEGFSarah Jones226512011/10/18 17:47
by Sarah Jones
"oddity" with odd number of statesN.Kolchenko 235942011/10/12 20:27
by N.Kolchenko
EvsLC MD.Type?Reda BOUFATAH114402011/10/12 17:02
by T.Ozaki
Transport including spin-orbit interactionErnesto O. Wrasse113802011/10/10 02:26
by Jiwon
ADPACK Ver. 2.2, Database 2011, and patch for OpenMX Ver. 3.5T.Ozaki521922011/10/01 07:02
by N.Kolchenko
Segfaults during memory accesses in Band_DFT_Col.cRenato Miceli1168602011/10/01 00:45
by Renato Miceli
Problem in Orbital optimisationDimpy Sharma116102011/09/29 21:01
by T.Ozaki
about nanoscale cluster motifsanjeev singh117892011/09/26 21:42
by N.Kolchenko
AO and PAOJulio Aguiar217042011/09/07 07:06
by Julio Aguiar
bandgnu13.c compilation errorsanjeev115622011/09/07 00:54
by T.Ozaki
problems in band dispersionwsajad317082011/09/03 16:44
by Sajad Ahmad
Array index out of bounds causes segfault in TRAN_Set_CentOverlap.cRenato Miceli225802011/09/02 04:33
by Renato Miceli
Inlen ComposerXE (ver. 12) : optimazation errorA. M. Ito132572011/08/30 15:08
by T.Ozaki
The patch (Ver.3.5.2) of OpenMX Ver. 3.5T.Ozaki013412011/08/30 15:06
by T.Ozaki
vps calculated by LDAwsajad214382011/08/28 17:36
by wsajad
Fermi level is not at the middle of the gapDinh Loc Duong487622011/08/26 17:43
by T.Ozaki
Enquiry with Band structureDimpy Sharma119332011/08/26 17:28
by T.Ozaki
Question about GGA+Urocdawn230122011/08/23 15:10
by wsajad
Atoms.UnitVectors.Unit wsajad116302011/08/22 03:34
by mahyar
constant magnetismGabriel Greene324332011/08/22 03:29
by mahyar
slow convergence of small clusterssanjeev220202011/08/11 03:15
by N.Kolchenko
problem in band dispersionwsajad012572011/08/08 21:06
by wsajad
where to set gamma poin in the input file?wsajad013292011/08/06 15:08
by wsajad
Long directory path for argument DATA.PATH in the input file causes OpenMX to segfaultRenato Miceli119022011/08/05 01:47
by T.Ozaki
Spherical Bessel TransformJulio Aguiar116702011/08/02 00:14
by T.Ozaki

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