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Topics Author Replies Views Last Modified
how to compare the energy calculated from openmx and vaspFrank Zhou15382017/05/18 09:27
by T. Ozaki
NEGF.tran.Kgridmmhs54682017/04/28 02:37
by mmhs
Phonon dispersion Fronquer35382017/04/25 07:27
by Kylin
polB SH14652017/04/22 00:42
by Naoya Yamaguchi
No current in NEGF calculationBill Guo75802017/04/20 13:20
by T. Ozaki
LCAO coefficients in real spherical harmonics, trasform into spherical harmonicsP43982017/04/20 13:10
by T. Ozaki
cell depictiontom.h14092017/04/12 18:18
by T. Ozaki
compiling issuesLuca24702017/04/09 21:45
by Luca
OpenMX input by OpenMX ViewerT. Ozaki05642017/04/08 10:43
by T. Ozaki
tips for NEGF calculations: Mulliken charges, basis sets, ghost atoms, convergencelzotti24762017/04/08 00:36
by lzotti
Can I optimize the "Optimized PAO"?Pui-Wai (Leo) Ma55252017/03/31 17:50
by Pui-Wai (Leo) Ma
gap calculation with homo-lumoMaedeh24622017/03/27 15:31
by Maedeh
weird output in ".dat#"Pui-Wai (Leo) Ma64582017/03/26 23:53
by Kylin
ERROR: Lapack routine DSTEQR failedPui-Wai (Leo) Ma24252017/03/26 18:27
by T. Ozaki
The misterious performance deteriorationKylin24782017/03/21 09:27
by T. Ozaki
Beginner's question for OpenMX 3.7A. Vogt35322017/03/20 21:47
by A. Vogt
openmx3.6amer23902017/03/15 15:25
by amer
Fatal error in NEGF runAndy106552017/03/14 18:55
by Fronquer
leadsamin23802017/03/13 19:34
by Artem Pulkin
The Divergence of graphene calulcation in ESM model (ON2, M|V|M)Kylin16772017/03/11 09:33
by T. Ozaki
The strange Nan result for negf_example/Lead-L-8ZGNR-NC.datKylin57222017/03/11 09:21
by T. Ozaki
Another possible erratic problem in the Forcetest for F2_GGA.dat and GaAs_LDA.datKylin86562017/03/10 15:55
by T. Ozaki
OMXToolNaoya Yamaguchi15672017/03/10 00:03
by T. Ozaki
VPS and PAO gridsDaniil14252017/03/09 23:38
by T. Ozaki
cuda patchamer24302017/03/09 02:55
by amer
Patch 3.8.3 to OpenMX Ver. 3.8T. Ozaki03862017/03/08 15:01
by T. Ozaki
transmission(bias window)ebrahim14832017/03/08 11:28
by T. Ozaki
openmx-hksArtem Pulkin15282017/03/08 11:09
by T. Ozaki
Japanese manual of the OpenMX Ver. 3.8T. Ozaki04462017/03/08 01:27
by T. Ozaki
Spin density and charge transferAsad25012017/03/04 04:48
by Asad
openmx-3.8.1 and the latest ELPAmarcindulak15332017/03/02 22:49
by T. Ozaki
Patch 3.8.2 to OpenMX Ver. 3.8T. Ozaki05002017/03/02 22:40
by T. Ozaki
OpenMX 3.8 compiling errorShinya Tsukamoto35932017/03/02 22:38
by T. Ozaki
Berry phase calculation failureJohn Sham18622017/03/02 22:34
by T. Ozaki
convergence-graphene sheetDeniz45922017/03/02 21:43
by T. Ozaki
DFT-D3 for grapheneS Dechamps17442017/03/02 14:51
by T. Ozaki
Open Coredch24392017/03/02 13:51
by T. Ozaki
non-collinear anglesRoman Borovic15952017/03/02 11:53
by T. Ozaki
For parallel compile "make -j"Atsushi M. Ito15312017/03/02 11:46
by T. Ozaki
Variable cell optimization with external pressureLe The Anh15432017/03/02 10:24
by T. Ozaki
MD.Opt.EveryDIISamer14902017/02/26 13:20
by Naoya Yamaguchi
Spin polarization versus bias voltage Fronquer04342017/02/22 19:50
by Fronquer
negf-vcrelaxhamed65612017/01/27 20:55
by Artem Pulkin
drPeter Brodnicki14562017/01/21 01:56
by Artem Pulkin
SCF not converged in Non-linear DFT calculationXiaoqing Liang04532017/01/19 07:25
by Xiaoqing Liang
convergenceamir04632017/01/18 04:48
by amir
found an overcomplete basis setJohn Sham05422017/01/10 12:06
by John Sham
Bulk TransmissionDavid26462017/01/07 10:49
by David
Convergence of NEGF in heterostructure S Dechamps66582017/01/05 20:16
by S Dechamps
What is the unit for Kohn-Sham potential in the output file *.vhart.cube and *.v0.cubechen14652017/01/03 18:01
by Artem Pulkin

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