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Topics Author Replies Views Last Modified
A question about Restart filesKun Jiang115262012/03/23 08:30
by T. Ozaki
electrostatic PotentialDan115222012/03/23 08:27
by T. Ozaki
EXXJohnTse114522012/03/23 08:23
by T. Ozaki
GaAs test having discrepanciesGrigory Shamov114742012/03/23 03:19
by Grigory Shamov
problem with parallel runningDavid345262012/03/17 17:29
by Johny Tang
Size of basis setjlrch116732012/03/10 16:08
by Larry Fried
How to specify contracted basisLarry Fried122992012/03/10 09:18
by Larry Fried
is the example "MnO" in work folder of openmx 3.6 for fcc structure or rhombohedral? jam012862012/02/24 15:13
by jam
Installation procedure of openmx3.6 in CentOS 6.0 or 5.x: step by stepReda Boufatah 125232012/02/15 23:33
by Abdelouahab
Error when single atom system, scf.EigenvalueSolver is BandA. M. Ito148322012/01/21 04:15
by A. M. Ito
Errors after building OpenMX, illegal value info=-3 in dstevx_Grigory Shamov117052012/01/19 03:05
by Grigory Shamov
how to calculate and plot Projected Bulk Band StructureZhe027062012/01/16 19:12
by Zhe
A question about the momentum matrix elements calculationHung-Lung Huang367632012/01/04 18:31
by Sajad Ahmad
ask for VPS and PAO of Ce and Irchen014392012/01/04 06:37
by chen
optimization of the volumeSajad Ahmad014932012/01/02 20:52
by Sajad Ahmad
problen in makeali120332011/12/30 02:57
by Reda BOUFATAH
[openmx 3.6] DFT_DATA_PATH is undeclared in check_lead.c Reda Boufatah012652011/12/18 04:06
by Reda Boufatah
Format for "MD.Fixed.XYZ" in openmx3.5Zhe116482011/12/17 19:45
by T.Ozaki
how to set CC and LIB to compile openmx 3.6? Sajad Ahmad014562011/11/21 19:01
by Sajad Ahmad
how to create a nano system input file?ajaz014212011/11/19 15:05
by ajaz
openmx3.4 installation problemDaniel 326112011/11/19 12:32
by Dr. Amar Bahadur
variable cell relaxation in OpenMXJess118312011/11/18 18:43
by T.Ozaki
How to calculate Bulk Modulus using this codeSajad Ahmad421342011/11/16 20:34
by Sajad Ahmad
convergence problems with OpenMX 3.6Denis Music1376372011/11/16 14:42
by T.Ozaki
Problem with Band structureDimpy Sharma419462011/11/15 02:52
by Dimpy Sharma
OpenMX ver.3.6 compilation with -DnompiN.Kolchenko334522011/11/14 17:26
by T.Ozaki
Definition of Orbitals in version 3.6Hadi Arefi113262011/11/14 17:19
by T.Ozaki
patch3.6.1 to OpenMX Ver. 3.6T.Ozaki033452011/11/14 17:07
by T.Ozaki
Postprocessing - "Analysis of ..." N.Kolchenko218622011/11/13 02:26
by N.Kolchenko
Ab initio determination of Hubbard parameter UMauro Sgroi217362011/11/12 05:48
by Mauro Sgroi
Ghost orbitalHadi Arefi125122011/11/11 22:21
by T.Ozaki
New version of OpenMxDimpy Sharma117442011/11/11 22:16
by T.Ozaki
PAO and VPSRakesh Kar116632011/11/11 22:09
by T.Ozaki
The conventions for real spherical harmonics in OpenMXH.329102011/11/11 21:55
by T.Ozaki
Release of OpenMX Ver. 3.6T.Ozaki013802011/11/10 17:31
by T.Ozaki
scf convergence problemj231282011/11/03 07:46
by jhlee
Better convergence for larger number of processors in case non-collinear calculations with SOCJohannes Voss117062011/10/27 17:40
by N.Kolchenko
Strange Mulliken Populations using new PAO in NEGFSarah Jones227172011/10/18 17:47
by Sarah Jones
"oddity" with odd number of statesN.Kolchenko 236702011/10/12 20:27
by N.Kolchenko
EvsLC MD.Type?Reda BOUFATAH114962011/10/12 17:02
by T.Ozaki
Transport including spin-orbit interactionErnesto O. Wrasse114382011/10/10 02:26
by Jiwon
ADPACK Ver. 2.2, Database 2011, and patch for OpenMX Ver. 3.5T.Ozaki522552011/10/01 07:02
by N.Kolchenko
Segfaults during memory accesses in Band_DFT_Col.cRenato Miceli1169552011/10/01 00:45
by Renato Miceli
Problem in Orbital optimisationDimpy Sharma116712011/09/29 21:01
by T.Ozaki
about nanoscale cluster motifsanjeev singh118502011/09/26 21:42
by N.Kolchenko
AO and PAOJulio Aguiar217582011/09/07 07:06
by Julio Aguiar
bandgnu13.c compilation errorsanjeev116232011/09/07 00:54
by T.Ozaki
problems in band dispersionwsajad317852011/09/03 16:44
by Sajad Ahmad
Array index out of bounds causes segfault in TRAN_Set_CentOverlap.cRenato Miceli226512011/09/02 04:33
by Renato Miceli
Inlen ComposerXE (ver. 12) : optimazation errorA. M. Ito133262011/08/30 15:08
by T.Ozaki

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