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Topics Author Replies Views Last Modified
optimization of the volumeSajad Ahmad011882012/01/02 20:52
by Sajad Ahmad
problen in makeali117152011/12/30 02:57
by Reda BOUFATAH
[openmx 3.6] DFT_DATA_PATH is undeclared in check_lead.c Reda Boufatah09732011/12/18 04:06
by Reda Boufatah
Format for "MD.Fixed.XYZ" in openmx3.5Zhe113232011/12/17 19:45
by T.Ozaki
how to set CC and LIB to compile openmx 3.6? Sajad Ahmad011412011/11/21 19:01
by Sajad Ahmad
how to create a nano system input file?ajaz011012011/11/19 15:05
by ajaz
openmx3.4 installation problemDaniel 321812011/11/19 12:32
by Dr. Amar Bahadur
variable cell relaxation in OpenMXJess115232011/11/18 18:43
by T.Ozaki
How to calculate Bulk Modulus using this codeSajad Ahmad418332011/11/16 20:34
by Sajad Ahmad
convergence problems with OpenMX 3.6Denis Music1370802011/11/16 14:42
by T.Ozaki
Problem with Band structureDimpy Sharma416242011/11/15 02:52
by Dimpy Sharma
OpenMX ver.3.6 compilation with -DnompiN.Kolchenko331022011/11/14 17:26
by T.Ozaki
Definition of Orbitals in version 3.6Hadi Arefi19392011/11/14 17:19
by T.Ozaki
patch3.6.1 to OpenMX Ver. 3.6T.Ozaki029872011/11/14 17:07
by T.Ozaki
Postprocessing - "Analysis of ..." N.Kolchenko215052011/11/13 02:26
by N.Kolchenko
Ab initio determination of Hubbard parameter UMauro Sgroi214182011/11/12 05:48
by Mauro Sgroi
Ghost orbitalHadi Arefi121122011/11/11 22:21
by T.Ozaki
New version of OpenMxDimpy Sharma113982011/11/11 22:16
by T.Ozaki
PAO and VPSRakesh Kar113732011/11/11 22:09
by T.Ozaki
The conventions for real spherical harmonics in OpenMXH.325502011/11/11 21:55
by T.Ozaki
Release of OpenMX Ver. 3.6T.Ozaki010782011/11/10 17:31
by T.Ozaki
scf convergence problemj227342011/11/03 07:46
by jhlee
Better convergence for larger number of processors in case non-collinear calculations with SOCJohannes Voss113882011/10/27 17:40
by N.Kolchenko
Strange Mulliken Populations using new PAO in NEGFSarah Jones223652011/10/18 17:47
by Sarah Jones
"oddity" with odd number of statesN.Kolchenko 232692011/10/12 20:27
by N.Kolchenko
EvsLC MD.Type?Reda BOUFATAH111972011/10/12 17:02
by T.Ozaki
Transport including spin-orbit interactionErnesto O. Wrasse111312011/10/10 02:26
by Jiwon
ADPACK Ver. 2.2, Database 2011, and patch for OpenMX Ver. 3.5T.Ozaki519212011/10/01 07:02
by N.Kolchenko
Segfaults during memory accesses in Band_DFT_Col.cRenato Miceli1164332011/10/01 00:45
by Renato Miceli
Problem in Orbital optimisationDimpy Sharma113592011/09/29 21:01
by T.Ozaki
about nanoscale cluster motifsanjeev singh115392011/09/26 21:42
by N.Kolchenko
AO and PAOJulio Aguiar214662011/09/07 07:06
by Julio Aguiar
bandgnu13.c compilation errorsanjeev113102011/09/07 00:54
by T.Ozaki
problems in band dispersionwsajad313972011/09/03 16:44
by Sajad Ahmad
Array index out of bounds causes segfault in TRAN_Set_CentOverlap.cRenato Miceli222582011/09/02 04:33
by Renato Miceli
Inlen ComposerXE (ver. 12) : optimazation errorA. M. Ito129732011/08/30 15:08
by T.Ozaki
The patch (Ver.3.5.2) of OpenMX Ver. 3.5T.Ozaki011072011/08/30 15:06
by T.Ozaki
vps calculated by LDAwsajad211872011/08/28 17:36
by wsajad
Fermi level is not at the middle of the gapDinh Loc Duong481482011/08/26 17:43
by T.Ozaki
Enquiry with Band structureDimpy Sharma116602011/08/26 17:28
by T.Ozaki
Question about GGA+Urocdawn226862011/08/23 15:10
by wsajad
Atoms.UnitVectors.Unit wsajad113602011/08/22 03:34
by mahyar
constant magnetismGabriel Greene321442011/08/22 03:29
by mahyar
slow convergence of small clusterssanjeev216822011/08/11 03:15
by N.Kolchenko
problem in band dispersionwsajad010282011/08/08 21:06
by wsajad
where to set gamma poin in the input file?wsajad010832011/08/06 15:08
by wsajad
Long directory path for argument DATA.PATH in the input file causes OpenMX to segfaultRenato Miceli115062011/08/05 01:47
by T.Ozaki
Spherical Bessel TransformJulio Aguiar114202011/08/02 00:14
by T.Ozaki
out-put vizualisationsanjeev114102011/07/30 00:42
by T.Ozaki
Utotal is positive and high enoughwsajad115802011/07/30 00:37
by T.Ozaki

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