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Topics Author Replies Views Last Modified
Bessel expansion of PAO/VPSArtem Pulkin51892017/05/24 09:45
by T. Ozaki
Memcpy argument memory ranges overlap with MPICH2 (SOLVED)Kylin12492017/05/24 09:26
by T. Ozaki
Output format of the stress tensorPascal Bliem11532017/05/23 17:36
by Yung Ting Lee
Segmentation fault in _IO_vfprintf with large basisDaniil41672017/05/19 05:02
by Daniil
Compile openMX with Intel Compiler and ACML math libraryKylin42272017/05/18 11:09
by T. Ozaki
how to compare the energy calculated from openmx and vaspFrank Zhou11942017/05/18 09:27
by T. Ozaki
NEGF.tran.Kgridmmhs52002017/04/28 02:37
by mmhs
Phonon dispersion Fronquer32342017/04/25 07:27
by Kylin
polB SH11962017/04/22 00:42
by Naoya Yamaguchi
No current in NEGF calculationBill Guo72512017/04/20 13:20
by T. Ozaki
LCAO coefficients in real spherical harmonics, trasform into spherical harmonicsP41502017/04/20 13:10
by T. Ozaki
cell depictiontom.h11762017/04/12 18:18
by T. Ozaki
compiling issuesLuca21742017/04/09 21:45
by Luca
OpenMX input by OpenMX ViewerT. Ozaki02292017/04/08 10:43
by T. Ozaki
tips for NEGF calculations: Mulliken charges, basis sets, ghost atoms, convergencelzotti21752017/04/08 00:36
by lzotti
Can I optimize the "Optimized PAO"?Pui-Wai (Leo) Ma52122017/03/31 17:50
by Pui-Wai (Leo) Ma
gap calculation with homo-lumoMaedeh21752017/03/27 15:31
by Maedeh
weird output in ".dat#"Pui-Wai (Leo) Ma61762017/03/26 23:53
by Kylin
ERROR: Lapack routine DSTEQR failedPui-Wai (Leo) Ma21492017/03/26 18:27
by T. Ozaki
The misterious performance deteriorationKylin21832017/03/21 09:27
by T. Ozaki
Beginner's question for OpenMX 3.7A. Vogt32232017/03/20 21:47
by A. Vogt
openmx3.6amer21602017/03/15 15:25
by amer
Fatal error in NEGF runAndy102592017/03/14 18:55
by Fronquer
leadsamin21662017/03/13 19:34
by Artem Pulkin
The Divergence of graphene calulcation in ESM model (ON2, M|V|M)Kylin13512017/03/11 09:33
by T. Ozaki
The strange Nan result for negf_example/Lead-L-8ZGNR-NC.datKylin53492017/03/11 09:21
by T. Ozaki
Another possible erratic problem in the Forcetest for F2_GGA.dat and GaAs_LDA.datKylin83172017/03/10 15:55
by T. Ozaki
OMXToolNaoya Yamaguchi12602017/03/10 00:03
by T. Ozaki
VPS and PAO gridsDaniil11862017/03/09 23:38
by T. Ozaki
cuda patchamer22062017/03/09 02:55
by amer
Patch 3.8.3 to OpenMX Ver. 3.8T. Ozaki01712017/03/08 15:01
by T. Ozaki
transmission(bias window)ebrahim11742017/03/08 11:28
by T. Ozaki
openmx-hksArtem Pulkin12372017/03/08 11:09
by T. Ozaki
Japanese manual of the OpenMX Ver. 3.8T. Ozaki02042017/03/08 01:27
by T. Ozaki
Spin density and charge transferAsad22382017/03/04 04:48
by Asad
openmx-3.8.1 and the latest ELPAmarcindulak12552017/03/02 22:49
by T. Ozaki
Patch 3.8.2 to OpenMX Ver. 3.8T. Ozaki02002017/03/02 22:40
by T. Ozaki
OpenMX 3.8 compiling errorShinya Tsukamoto32612017/03/02 22:38
by T. Ozaki
Berry phase calculation failureJohn Sham15152017/03/02 22:34
by T. Ozaki
convergence-graphene sheetDeniz42142017/03/02 21:43
by T. Ozaki
DFT-D3 for grapheneS Dechamps13422017/03/02 14:51
by T. Ozaki
Open Coredch22032017/03/02 13:51
by T. Ozaki
non-collinear anglesRoman Borovic12882017/03/02 11:53
by T. Ozaki
For parallel compile "make -j"Atsushi M. Ito12572017/03/02 11:46
by T. Ozaki
Variable cell optimization with external pressureLe The Anh12722017/03/02 10:24
by T. Ozaki
MD.Opt.EveryDIISamer12092017/02/26 13:20
by Naoya Yamaguchi
Spin polarization versus bias voltage Fronquer01772017/02/22 19:50
by Fronquer
negf-vcrelaxhamed62872017/01/27 20:55
by Artem Pulkin
drPeter Brodnicki12272017/01/21 01:56
by Artem Pulkin
SCF not converged in Non-linear DFT calculationXiaoqing Liang02272017/01/19 07:25
by Xiaoqing Liang

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