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Topics Author Replies Views Last Modified
Phonon dispersion Fronquer316662017/04/25 07:27
by Kylin
polB SH112572017/04/22 00:42
by Naoya Yamaguchi
No current in NEGF calculationBill Guo714262017/04/20 13:20
by T. Ozaki
LCAO coefficients in real spherical harmonics, trasform into spherical harmonicsP411692017/04/20 13:10
by T. Ozaki
cell depictiontom.h110612017/04/12 18:18
by T. Ozaki
compiling issuesLuca213762017/04/09 21:45
by Luca
OpenMX input by OpenMX ViewerT. Ozaki014442017/04/08 10:43
by T. Ozaki
tips for NEGF calculations: Mulliken charges, basis sets, ghost atoms, convergencelzotti212052017/04/08 00:36
by lzotti
Can I optimize the "Optimized PAO"?Pui-Wai (Leo) Ma513822017/03/31 17:50
by Pui-Wai (Leo) Ma
gap calculation with homo-lumoMaedeh213642017/03/27 15:31
by Maedeh
weird output in ".dat#"Pui-Wai (Leo) Ma613102017/03/26 23:53
by Kylin
ERROR: Lapack routine DSTEQR failedPui-Wai (Leo) Ma216602017/03/26 18:27
by T. Ozaki
The misterious performance deteriorationKylin212832017/03/21 09:27
by T. Ozaki
Beginner's question for OpenMX 3.7A. Vogt315022017/03/20 21:47
by A. Vogt
openmx3.6amer210922017/03/15 15:25
by amer
Fatal error in NEGF runAndy1015822017/03/14 18:55
by Fronquer
leadsamin211562017/03/13 19:34
by Artem Pulkin
The Divergence of graphene calulcation in ESM model (ON2, M|V|M)Kylin115662017/03/11 09:33
by T. Ozaki
The strange Nan result for negf_example/Lead-L-8ZGNR-NC.datKylin519782017/03/11 09:21
by T. Ozaki
Another possible erratic problem in the Forcetest for F2_GGA.dat and GaAs_LDA.datKylin815112017/03/10 15:55
by T. Ozaki
OMXToolNaoya Yamaguchi114872017/03/10 00:03
by T. Ozaki
VPS and PAO gridsDaniil112342017/03/09 23:38
by T. Ozaki
cuda patchamer211542017/03/09 02:55
by amer
Patch 3.8.3 to OpenMX Ver. 3.8T. Ozaki010102017/03/08 15:01
by T. Ozaki
transmission(bias window)ebrahim114022017/03/08 11:28
by T. Ozaki
openmx-hksArtem Pulkin115852017/03/08 11:09
by T. Ozaki
Japanese manual of the OpenMX Ver. 3.8T. Ozaki011252017/03/08 01:27
by T. Ozaki
Spin density and charge transferAsad212812017/03/04 04:48
by Asad
openmx-3.8.1 and the latest ELPAmarcindulak115162017/03/02 22:49
by T. Ozaki
Patch 3.8.2 to OpenMX Ver. 3.8T. Ozaki012222017/03/02 22:40
by T. Ozaki
OpenMX 3.8 compiling errorShinya Tsukamoto315582017/03/02 22:38
by T. Ozaki
Berry phase calculation failureJohn Sham115492017/03/02 22:34
by T. Ozaki
convergence-graphene sheetDeniz413972017/03/02 21:43
by T. Ozaki
DFT-D3 for grapheneS Dechamps117322017/03/02 14:51
by T. Ozaki
Open Coredch212622017/03/02 13:51
by T. Ozaki
non-collinear anglesRoman Borovic115302017/03/02 11:53
by T. Ozaki
For parallel compile "make -j"Atsushi M. Ito112802017/03/02 11:46
by T. Ozaki
Variable cell optimization with external pressureLe The Anh113512017/03/02 10:24
by T. Ozaki
MD.Opt.EveryDIISamer113612017/02/26 13:20
by Naoya Yamaguchi
Spin polarization versus bias voltage Fronquer011702017/02/22 19:50
by Fronquer
negf-vcrelaxhamed612322017/01/27 20:55
by Artem Pulkin
drPeter Brodnicki110912017/01/21 01:56
by Artem Pulkin
SCF not converged in Non-linear DFT calculationXiaoqing Liang011022017/01/19 07:25
by Xiaoqing Liang
convergenceamir011062017/01/18 04:48
by amir
found an overcomplete basis setJohn Sham011752017/01/10 12:06
by John Sham
Bulk TransmissionDavid214392017/01/07 10:49
by David
Convergence of NEGF in heterostructure S Dechamps616632017/01/05 20:16
by S Dechamps
What is the unit for Kohn-Sham potential in the output file *.vhart.cube and *.v0.cubechen111402017/01/03 18:01
by Artem Pulkin
charge,spin (current densities)Pavan choudary114342016/12/26 21:55
by Mitsuaki Kawamura
IV curve GrapheneMia 117362016/12/26 17:55
by T. Ozaki

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