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Error when single atom system, scf.EigenvalueSolver is BandA. M. Ito144542012/01/21 04:15
by A. M. Ito
Errors after building OpenMX, illegal value info=-3 in dstevx_Grigory Shamov115242012/01/19 03:05
by Grigory Shamov
how to calculate and plot Projected Bulk Band StructureZhe024572012/01/16 19:12
by Zhe
A question about the momentum matrix elements calculationHung-Lung Huang365072012/01/04 18:31
by Sajad Ahmad
ask for VPS and PAO of Ce and Irchen012742012/01/04 06:37
by chen
optimization of the volumeSajad Ahmad013012012/01/02 20:52
by Sajad Ahmad
problen in makeali118442011/12/30 02:57
by Reda BOUFATAH
[openmx 3.6] DFT_DATA_PATH is undeclared in check_lead.c Reda Boufatah010932011/12/18 04:06
by Reda Boufatah
Format for "MD.Fixed.XYZ" in openmx3.5Zhe114412011/12/17 19:45
by T.Ozaki
how to set CC and LIB to compile openmx 3.6? Sajad Ahmad012642011/11/21 19:01
by Sajad Ahmad
how to create a nano system input file?ajaz012282011/11/19 15:05
by ajaz
openmx3.4 installation problemDaniel 323802011/11/19 12:32
by Dr. Amar Bahadur
variable cell relaxation in OpenMXJess116452011/11/18 18:43
by T.Ozaki
How to calculate Bulk Modulus using this codeSajad Ahmad419622011/11/16 20:34
by Sajad Ahmad
convergence problems with OpenMX 3.6Denis Music1373762011/11/16 14:42
by T.Ozaki
Problem with Band structureDimpy Sharma417432011/11/15 02:52
by Dimpy Sharma
OpenMX ver.3.6 compilation with -DnompiN.Kolchenko332382011/11/14 17:26
by T.Ozaki
Definition of Orbitals in version 3.6Hadi Arefi111162011/11/14 17:19
by T.Ozaki
patch3.6.1 to OpenMX Ver. 3.6T.Ozaki031082011/11/14 17:07
by T.Ozaki
Postprocessing - "Analysis of ..." N.Kolchenko216422011/11/13 02:26
by N.Kolchenko
Ab initio determination of Hubbard parameter UMauro Sgroi215662011/11/12 05:48
by Mauro Sgroi
Ghost orbitalHadi Arefi122862011/11/11 22:21
by T.Ozaki
New version of OpenMxDimpy Sharma115452011/11/11 22:16
by T.Ozaki
PAO and VPSRakesh Kar114962011/11/11 22:09
by T.Ozaki
The conventions for real spherical harmonics in OpenMXH.326942011/11/11 21:55
by T.Ozaki
Release of OpenMX Ver. 3.6T.Ozaki012002011/11/10 17:31
by T.Ozaki
scf convergence problemj229032011/11/03 07:46
by jhlee
Better convergence for larger number of processors in case non-collinear calculations with SOCJohannes Voss115412011/10/27 17:40
by N.Kolchenko
Strange Mulliken Populations using new PAO in NEGFSarah Jones225142011/10/18 17:47
by Sarah Jones
"oddity" with odd number of statesN.Kolchenko 234442011/10/12 20:27
by N.Kolchenko
EvsLC MD.Type?Reda BOUFATAH113302011/10/12 17:02
by T.Ozaki
Transport including spin-orbit interactionErnesto O. Wrasse112592011/10/10 02:26
by Jiwon
ADPACK Ver. 2.2, Database 2011, and patch for OpenMX Ver. 3.5T.Ozaki520662011/10/01 07:02
by N.Kolchenko
Segfaults during memory accesses in Band_DFT_Col.cRenato Miceli1166642011/10/01 00:45
by Renato Miceli
Problem in Orbital optimisationDimpy Sharma114832011/09/29 21:01
by T.Ozaki
about nanoscale cluster motifsanjeev singh116632011/09/26 21:42
by N.Kolchenko
AO and PAOJulio Aguiar215882011/09/07 07:06
by Julio Aguiar
bandgnu13.c compilation errorsanjeev114472011/09/07 00:54
by T.Ozaki
problems in band dispersionwsajad315612011/09/03 16:44
by Sajad Ahmad
Array index out of bounds causes segfault in TRAN_Set_CentOverlap.cRenato Miceli224422011/09/02 04:33
by Renato Miceli
Inlen ComposerXE (ver. 12) : optimazation errorA. M. Ito131212011/08/30 15:08
by T.Ozaki
The patch (Ver.3.5.2) of OpenMX Ver. 3.5T.Ozaki012302011/08/30 15:06
by T.Ozaki
vps calculated by LDAwsajad213132011/08/28 17:36
by wsajad
Fermi level is not at the middle of the gapDinh Loc Duong484352011/08/26 17:43
by T.Ozaki
Enquiry with Band structureDimpy Sharma118082011/08/26 17:28
by T.Ozaki
Question about GGA+Urocdawn228602011/08/23 15:10
by wsajad
Atoms.UnitVectors.Unit wsajad114922011/08/22 03:34
by mahyar
constant magnetismGabriel Greene323082011/08/22 03:29
by mahyar
slow convergence of small clusterssanjeev218512011/08/11 03:15
by N.Kolchenko
problem in band dispersionwsajad011472011/08/08 21:06
by wsajad

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