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Topics Author Replies Views Last Modified
gap calculation with homo-lumoMaedeh21442017/03/27 15:31
by Maedeh
weird output in ".dat#"Pui-Wai (Leo) Ma61482017/03/26 23:53
by Kylin
ERROR: Lapack routine DSTEQR failedPui-Wai (Leo) Ma21222017/03/26 18:27
by T. Ozaki
The misterious performance deteriorationKylin21522017/03/21 09:27
by T. Ozaki
Beginner's question for OpenMX 3.7A. Vogt31882017/03/20 21:47
by A. Vogt
openmx3.6amer21372017/03/15 15:25
by amer
Fatal error in NEGF runAndy102172017/03/14 18:55
by Fronquer
leadsamin21432017/03/13 19:34
by Artem Pulkin
The Divergence of graphene calulcation in ESM model (ON2, M|V|M)Kylin12972017/03/11 09:33
by T. Ozaki
The strange Nan result for negf_example/Lead-L-8ZGNR-NC.datKylin52912017/03/11 09:21
by T. Ozaki
Another possible erratic problem in the Forcetest for F2_GGA.dat and GaAs_LDA.datKylin82742017/03/10 15:55
by T. Ozaki
OMXToolNaoya Yamaguchi12142017/03/10 00:03
by T. Ozaki
VPS and PAO gridsDaniil11582017/03/09 23:38
by T. Ozaki
cuda patchamer21812017/03/09 02:55
by amer
Patch 3.8.3 to OpenMX Ver. 3.8T. Ozaki01452017/03/08 15:01
by T. Ozaki
transmission(bias window)ebrahim11402017/03/08 11:28
by T. Ozaki
openmx-hksArtem Pulkin11912017/03/08 11:09
by T. Ozaki
Japanese manual of the OpenMX Ver. 3.8T. Ozaki01632017/03/08 01:27
by T. Ozaki
Spin density and charge transferAsad21982017/03/04 04:48
by Asad
openmx-3.8.1 and the latest ELPAmarcindulak12122017/03/02 22:49
by T. Ozaki
Patch 3.8.2 to OpenMX Ver. 3.8T. Ozaki01602017/03/02 22:40
by T. Ozaki
OpenMX 3.8 compiling errorShinya Tsukamoto32152017/03/02 22:38
by T. Ozaki
Berry phase calculation failureJohn Sham14342017/03/02 22:34
by T. Ozaki
convergence-graphene sheetDeniz41822017/03/02 21:43
by T. Ozaki
DFT-D3 for grapheneS Dechamps12862017/03/02 14:51
by T. Ozaki
Open Coredch21552017/03/02 13:51
by T. Ozaki
non-collinear anglesRoman Borovic12432017/03/02 11:53
by T. Ozaki
For parallel compile "make -j"Atsushi M. Ito12182017/03/02 11:46
by T. Ozaki
Variable cell optimization with external pressureLe The Anh12332017/03/02 10:24
by T. Ozaki
MD.Opt.EveryDIISamer11732017/02/26 13:20
by Naoya Yamaguchi
Spin polarization versus bias voltage Fronquer01392017/02/22 19:50
by Fronquer
negf-vcrelaxhamed62412017/01/27 20:55
by Artem Pulkin
drPeter Brodnicki11852017/01/21 01:56
by Artem Pulkin
SCF not converged in Non-linear DFT calculationXiaoqing Liang02022017/01/19 07:25
by Xiaoqing Liang
convergenceamir01832017/01/18 04:48
by amir
found an overcomplete basis setJohn Sham02332017/01/10 12:06
by John Sham
Bulk TransmissionDavid23242017/01/07 10:49
by David
Convergence of NEGF in heterostructure S Dechamps62712017/01/05 20:16
by S Dechamps
What is the unit for Kohn-Sham potential in the output file *.vhart.cube and *.v0.cubechen11872017/01/03 18:01
by Artem Pulkin
charge,spin (current densities)Pavan choudary12962016/12/26 21:55
by Mitsuaki Kawamura
IV curve GrapheneMia 13472016/12/26 17:55
by T. Ozaki
crystallographic directionsJulio Aguiar12522016/12/26 17:32
by T. Ozaki
about MAELuca 11982016/12/26 17:26
by T. Ozaki
ErrorSaeid Amjadian02172016/11/20 12:37
by Saeid Amjadian
Non-equlibriumAdalicia12612016/11/18 18:30
by Artem Pulkin
Initial Charge DensitiesClarke93322016/11/15 15:29
by Clarke
Convergence of NEGF for defective GNRsS Dechamps64472016/11/10 20:07
by S Dechamps
how to match the DOS of NEGF with The transmission Pavan choudary32522016/11/09 17:28
by Pavan choudary
Patch 3.8.1 to OpenMX Ver. 3.8T. Ozaki02902016/10/21 15:50
by T. Ozaki
Manual setting of occupation numbersJan-Niclas83412016/10/20 17:22
by T. Ozaki

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