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Topics Author Replies Views Last Modified
variable cell optimizationmosahar62762017/06/01 17:18
by mosahar
Significant mismatch between the bandgap values computed by bandstructure and Dos (Not solved ...)AM84052017/05/28 12:05
by T. Ozaki
Bessel expansion of PAO/VPSArtem Pulkin53162017/05/24 09:45
by T. Ozaki
Memcpy argument memory ranges overlap with MPICH2 (SOLVED)Kylin15842017/05/24 09:26
by T. Ozaki
Output format of the stress tensorPascal Bliem12822017/05/23 17:36
by Yung Ting Lee
Segmentation fault in _IO_vfprintf with large basisDaniil43182017/05/19 05:02
by Daniil
Compile openMX with Intel Compiler and ACML math libraryKylin44672017/05/18 11:09
by T. Ozaki
how to compare the energy calculated from openmx and vaspFrank Zhou13222017/05/18 09:27
by T. Ozaki
NEGF.tran.Kgridmmhs53202017/04/28 02:37
by mmhs
Phonon dispersion Fronquer33592017/04/25 07:27
by Kylin
polB SH13102017/04/22 00:42
by Naoya Yamaguchi
No current in NEGF calculationBill Guo73832017/04/20 13:20
by T. Ozaki
LCAO coefficients in real spherical harmonics, trasform into spherical harmonicsP42452017/04/20 13:10
by T. Ozaki
cell depictiontom.h12902017/04/12 18:18
by T. Ozaki
compiling issuesLuca22862017/04/09 21:45
by Luca
OpenMX input by OpenMX ViewerT. Ozaki04042017/04/08 10:43
by T. Ozaki
tips for NEGF calculations: Mulliken charges, basis sets, ghost atoms, convergencelzotti22942017/04/08 00:36
by lzotti
Can I optimize the "Optimized PAO"?Pui-Wai (Leo) Ma53542017/03/31 17:50
by Pui-Wai (Leo) Ma
gap calculation with homo-lumoMaedeh22872017/03/27 15:31
by Maedeh
weird output in ".dat#"Pui-Wai (Leo) Ma62922017/03/26 23:53
by Kylin
ERROR: Lapack routine DSTEQR failedPui-Wai (Leo) Ma22502017/03/26 18:27
by T. Ozaki
The misterious performance deteriorationKylin23252017/03/21 09:27
by T. Ozaki
Beginner's question for OpenMX 3.7A. Vogt33472017/03/20 21:47
by A. Vogt
openmx3.6amer22502017/03/15 15:25
by amer
Fatal error in NEGF runAndy104222017/03/14 18:55
by Fronquer
leadsamin22612017/03/13 19:34
by Artem Pulkin
The Divergence of graphene calulcation in ESM model (ON2, M|V|M)Kylin14892017/03/11 09:33
by T. Ozaki
The strange Nan result for negf_example/Lead-L-8ZGNR-NC.datKylin55152017/03/11 09:21
by T. Ozaki
Another possible erratic problem in the Forcetest for F2_GGA.dat and GaAs_LDA.datKylin84632017/03/10 15:55
by T. Ozaki
OMXToolNaoya Yamaguchi13862017/03/10 00:03
by T. Ozaki
VPS and PAO gridsDaniil13082017/03/09 23:38
by T. Ozaki
cuda patchamer22992017/03/09 02:55
by amer
Patch 3.8.3 to OpenMX Ver. 3.8T. Ozaki02672017/03/08 15:01
by T. Ozaki
transmission(bias window)ebrahim12952017/03/08 11:28
by T. Ozaki
openmx-hksArtem Pulkin13742017/03/08 11:09
by T. Ozaki
Japanese manual of the OpenMX Ver. 3.8T. Ozaki03222017/03/08 01:27
by T. Ozaki
Spin density and charge transferAsad23902017/03/04 04:48
by Asad
openmx-3.8.1 and the latest ELPAmarcindulak13832017/03/02 22:49
by T. Ozaki
Patch 3.8.2 to OpenMX Ver. 3.8T. Ozaki03552017/03/02 22:40
by T. Ozaki
OpenMX 3.8 compiling errorShinya Tsukamoto34172017/03/02 22:38
by T. Ozaki
Berry phase calculation failureJohn Sham17162017/03/02 22:34
by T. Ozaki
convergence-graphene sheetDeniz43512017/03/02 21:43
by T. Ozaki
DFT-D3 for grapheneS Dechamps15222017/03/02 14:51
by T. Ozaki
Open Coredch23142017/03/02 13:51
by T. Ozaki
non-collinear anglesRoman Borovic14472017/03/02 11:53
by T. Ozaki
For parallel compile "make -j"Atsushi M. Ito13982017/03/02 11:46
by T. Ozaki
Variable cell optimization with external pressureLe The Anh13842017/03/02 10:24
by T. Ozaki
MD.Opt.EveryDIISamer13522017/02/26 13:20
by Naoya Yamaguchi
Spin polarization versus bias voltage Fronquer03132017/02/22 19:50
by Fronquer
negf-vcrelaxhamed64242017/01/27 20:55
by Artem Pulkin

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