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Topics Author Replies Views Last Modified
weird output in ".dat#"Pui-Wai (Leo) Ma62622017/03/26 23:53
by Kylin
ERROR: Lapack routine DSTEQR failedPui-Wai (Leo) Ma22182017/03/26 18:27
by T. Ozaki
The misterious performance deteriorationKylin22892017/03/21 09:27
by T. Ozaki
Beginner's question for OpenMX 3.7A. Vogt33122017/03/20 21:47
by A. Vogt
openmx3.6amer22262017/03/15 15:25
by amer
Fatal error in NEGF runAndy103832017/03/14 18:55
by Fronquer
leadsamin22332017/03/13 19:34
by Artem Pulkin
The Divergence of graphene calulcation in ESM model (ON2, M|V|M)Kylin14552017/03/11 09:33
by T. Ozaki
The strange Nan result for negf_example/Lead-L-8ZGNR-NC.datKylin54742017/03/11 09:21
by T. Ozaki
Another possible erratic problem in the Forcetest for F2_GGA.dat and GaAs_LDA.datKylin84242017/03/10 15:55
by T. Ozaki
OMXToolNaoya Yamaguchi13542017/03/10 00:03
by T. Ozaki
VPS and PAO gridsDaniil12752017/03/09 23:38
by T. Ozaki
cuda patchamer22752017/03/09 02:55
by amer
Patch 3.8.3 to OpenMX Ver. 3.8T. Ozaki02422017/03/08 15:01
by T. Ozaki
transmission(bias window)ebrahim12572017/03/08 11:28
by T. Ozaki
openmx-hksArtem Pulkin13402017/03/08 11:09
by T. Ozaki
Japanese manual of the OpenMX Ver. 3.8T. Ozaki02982017/03/08 01:27
by T. Ozaki
Spin density and charge transferAsad23602017/03/04 04:48
by Asad
openmx-3.8.1 and the latest ELPAmarcindulak13652017/03/02 22:49
by T. Ozaki
Patch 3.8.2 to OpenMX Ver. 3.8T. Ozaki03222017/03/02 22:40
by T. Ozaki
OpenMX 3.8 compiling errorShinya Tsukamoto33722017/03/02 22:38
by T. Ozaki
Berry phase calculation failureJohn Sham16872017/03/02 22:34
by T. Ozaki
convergence-graphene sheetDeniz43072017/03/02 21:43
by T. Ozaki
DFT-D3 for grapheneS Dechamps14832017/03/02 14:51
by T. Ozaki
Open Coredch22852017/03/02 13:51
by T. Ozaki
non-collinear anglesRoman Borovic14242017/03/02 11:53
by T. Ozaki
For parallel compile "make -j"Atsushi M. Ito13672017/03/02 11:46
by T. Ozaki
Variable cell optimization with external pressureLe The Anh13612017/03/02 10:24
by T. Ozaki
MD.Opt.EveryDIISamer13152017/02/26 13:20
by Naoya Yamaguchi
Spin polarization versus bias voltage Fronquer02842017/02/22 19:50
by Fronquer
negf-vcrelaxhamed64012017/01/27 20:55
by Artem Pulkin
drPeter Brodnicki13342017/01/21 01:56
by Artem Pulkin
SCF not converged in Non-linear DFT calculationXiaoqing Liang03232017/01/19 07:25
by Xiaoqing Liang
convergenceamir03462017/01/18 04:48
by amir
found an overcomplete basis setJohn Sham03712017/01/10 12:06
by John Sham
Bulk TransmissionDavid24742017/01/07 10:49
by David
Convergence of NEGF in heterostructure S Dechamps64492017/01/05 20:16
by S Dechamps
What is the unit for Kohn-Sham potential in the output file *.vhart.cube and *.v0.cubechen13222017/01/03 18:01
by Artem Pulkin
charge,spin (current densities)Pavan choudary14622016/12/26 21:55
by Mitsuaki Kawamura
IV curve GrapheneMia 15652016/12/26 17:55
by T. Ozaki
crystallographic directionsJulio Aguiar14172016/12/26 17:32
by T. Ozaki
about MAELuca 13532016/12/26 17:26
by T. Ozaki
ErrorSaeid Amjadian03522016/11/20 12:37
by Saeid Amjadian
Non-equlibriumAdalicia14522016/11/18 18:30
by Artem Pulkin
Initial Charge DensitiesClarke95202016/11/15 15:29
by Clarke
Convergence of NEGF for defective GNRsS Dechamps66682016/11/10 20:07
by S Dechamps
how to match the DOS of NEGF with The transmission Pavan choudary34152016/11/09 17:28
by Pavan choudary
Patch 3.8.1 to OpenMX Ver. 3.8T. Ozaki04422016/10/21 15:50
by T. Ozaki
Manual setting of occupation numbersJan-Niclas85102016/10/20 17:22
by T. Ozaki
Implementation of EDM using the continued fraction representation of Fermi functionAri Ojanperä14212016/10/18 00:07
by T. Ozaki

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