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openmx testrun resultsmarius524792012/07/02 15:37
by Somesh Bhattacharya
What states of the d-orbitals correspond to the numbers (d1〜5) in output files?Yasutaka Nishida221852012/06/06 13:07
by Yasutaka Nishida
Correction of manual (ESM method)T.Ohwaki011072012/05/24 16:56
by T.Ohwaki
About platform.mt215372012/05/19 20:35
by Mohamed Khalfallah
restart of NEGF stepmarius011172012/04/11 19:28
by marius
How to Write Wavefunction zhe115112012/04/03 21:26
by T. Ozaki
how to calculate the equilibrium lattice constants (New to OPENMX)Raf116412012/03/30 14:59
by JH Parq
Problems with Transport CalculationTamal Goswami623232012/03/28 22:28
by Tamal Goswami
ADPAC 2.2 vs 2.2 input differences?Grigory Shamov317372012/03/24 03:00
by Grigory Shamov
Calculation of magnetic anisotropyjlrch118722012/03/23 08:35
by T. Ozaki
A question about Restart filesKun Jiang110842012/03/23 08:30
by T. Ozaki
electrostatic PotentialDan110752012/03/23 08:27
by T. Ozaki
EXXJohnTse19752012/03/23 08:23
by T. Ozaki
GaAs test having discrepanciesGrigory Shamov110772012/03/23 03:19
by Grigory Shamov
problem with parallel runningDavid327622012/03/17 17:29
by Johny Tang
Size of basis setjlrch111762012/03/10 16:08
by Larry Fried
How to specify contracted basisLarry Fried117562012/03/10 09:18
by Larry Fried
is the example "MnO" in work folder of openmx 3.6 for fcc structure or rhombohedral? jam08662012/02/24 15:13
by jam
Installation procedure of openmx3.6 in CentOS 6.0 or 5.x: step by stepReda Boufatah 120152012/02/15 23:33
by Abdelouahab
Error when single atom system, scf.EigenvalueSolver is BandA. M. Ito139332012/01/21 04:15
by A. M. Ito
Errors after building OpenMX, illegal value info=-3 in dstevx_Grigory Shamov113042012/01/19 03:05
by Grigory Shamov
how to calculate and plot Projected Bulk Band StructureZhe020582012/01/16 19:12
by Zhe
A question about the momentum matrix elements calculationHung-Lung Huang361002012/01/04 18:31
by Sajad Ahmad
ask for VPS and PAO of Ce and Irchen010532012/01/04 06:37
by chen
optimization of the volumeSajad Ahmad010892012/01/02 20:52
by Sajad Ahmad
problen in makeali115892011/12/30 02:57
by Reda BOUFATAH
[openmx 3.6] DFT_DATA_PATH is undeclared in check_lead.c Reda Boufatah08662011/12/18 04:06
by Reda Boufatah
Format for "MD.Fixed.XYZ" in openmx3.5Zhe112122011/12/17 19:45
by T.Ozaki
how to set CC and LIB to compile openmx 3.6? Sajad Ahmad010262011/11/21 19:01
by Sajad Ahmad
how to create a nano system input file?ajaz09852011/11/19 15:05
by ajaz
openmx3.4 installation problemDaniel 319992011/11/19 12:32
by Dr. Amar Bahadur
variable cell relaxation in OpenMXJess114052011/11/18 18:43
by T.Ozaki
How to calculate Bulk Modulus using this codeSajad Ahmad416812011/11/16 20:34
by Sajad Ahmad
convergence problems with OpenMX 3.6Denis Music1368422011/11/16 14:42
by T.Ozaki
Problem with Band structureDimpy Sharma414622011/11/15 02:52
by Dimpy Sharma
OpenMX ver.3.6 compilation with -DnompiN.Kolchenko329522011/11/14 17:26
by T.Ozaki
Definition of Orbitals in version 3.6Hadi Arefi17932011/11/14 17:19
by T.Ozaki
patch3.6.1 to OpenMX Ver. 3.6T.Ozaki028692011/11/14 17:07
by T.Ozaki
Postprocessing - "Analysis of ..." N.Kolchenko213902011/11/13 02:26
by N.Kolchenko
Ab initio determination of Hubbard parameter UMauro Sgroi212522011/11/12 05:48
by Mauro Sgroi
Ghost orbitalHadi Arefi119682011/11/11 22:21
by T.Ozaki
New version of OpenMxDimpy Sharma112642011/11/11 22:16
by T.Ozaki
PAO and VPSRakesh Kar112202011/11/11 22:09
by T.Ozaki
The conventions for real spherical harmonics in OpenMXH.324292011/11/11 21:55
by T.Ozaki
Release of OpenMX Ver. 3.6T.Ozaki09342011/11/10 17:31
by T.Ozaki
scf convergence problemj225712011/11/03 07:46
by jhlee
Better convergence for larger number of processors in case non-collinear calculations with SOCJohannes Voss112442011/10/27 17:40
by N.Kolchenko
Strange Mulliken Populations using new PAO in NEGFSarah Jones222122011/10/18 17:47
by Sarah Jones
"oddity" with odd number of statesN.Kolchenko 231212011/10/12 20:27
by N.Kolchenko
EvsLC MD.Type?Reda BOUFATAH110762011/10/12 17:02
by T.Ozaki

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