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Topics Author Replies Views Last Modified
gap calculation with homo-lumoMaedeh23892017/03/27 15:31
by Maedeh
weird output in ".dat#"Pui-Wai (Leo) Ma63902017/03/26 23:53
by Kylin
ERROR: Lapack routine DSTEQR failedPui-Wai (Leo) Ma23602017/03/26 18:27
by T. Ozaki
The misterious performance deteriorationKylin24192017/03/21 09:27
by T. Ozaki
Beginner's question for OpenMX 3.7A. Vogt34632017/03/20 21:47
by A. Vogt
openmx3.6amer23372017/03/15 15:25
by amer
Fatal error in NEGF runAndy105492017/03/14 18:55
by Fronquer
leadsamin23372017/03/13 19:34
by Artem Pulkin
The Divergence of graphene calulcation in ESM model (ON2, M|V|M)Kylin16062017/03/11 09:33
by T. Ozaki
The strange Nan result for negf_example/Lead-L-8ZGNR-NC.datKylin56492017/03/11 09:21
by T. Ozaki
Another possible erratic problem in the Forcetest for F2_GGA.dat and GaAs_LDA.datKylin85752017/03/10 15:55
by T. Ozaki
OMXToolNaoya Yamaguchi14982017/03/10 00:03
by T. Ozaki
VPS and PAO gridsDaniil13772017/03/09 23:38
by T. Ozaki
cuda patchamer23832017/03/09 02:55
by amer
Patch 3.8.3 to OpenMX Ver. 3.8T. Ozaki03392017/03/08 15:01
by T. Ozaki
transmission(bias window)ebrahim14182017/03/08 11:28
by T. Ozaki
openmx-hksArtem Pulkin14682017/03/08 11:09
by T. Ozaki
Japanese manual of the OpenMX Ver. 3.8T. Ozaki03992017/03/08 01:27
by T. Ozaki
Spin density and charge transferAsad24552017/03/04 04:48
by Asad
openmx-3.8.1 and the latest ELPAmarcindulak14802017/03/02 22:49
by T. Ozaki
Patch 3.8.2 to OpenMX Ver. 3.8T. Ozaki04502017/03/02 22:40
by T. Ozaki
OpenMX 3.8 compiling errorShinya Tsukamoto35322017/03/02 22:38
by T. Ozaki
Berry phase calculation failureJohn Sham17952017/03/02 22:34
by T. Ozaki
convergence-graphene sheetDeniz44932017/03/02 21:43
by T. Ozaki
DFT-D3 for grapheneS Dechamps16602017/03/02 14:51
by T. Ozaki
Open Coredch23962017/03/02 13:51
by T. Ozaki
non-collinear anglesRoman Borovic15352017/03/02 11:53
by T. Ozaki
For parallel compile "make -j"Atsushi M. Ito14752017/03/02 11:46
by T. Ozaki
Variable cell optimization with external pressureLe The Anh14752017/03/02 10:24
by T. Ozaki
MD.Opt.EveryDIISamer14412017/02/26 13:20
by Naoya Yamaguchi
Spin polarization versus bias voltage Fronquer03832017/02/22 19:50
by Fronquer
negf-vcrelaxhamed65122017/01/27 20:55
by Artem Pulkin
drPeter Brodnicki14132017/01/21 01:56
by Artem Pulkin
SCF not converged in Non-linear DFT calculationXiaoqing Liang04132017/01/19 07:25
by Xiaoqing Liang
convergenceamir04242017/01/18 04:48
by amir
found an overcomplete basis setJohn Sham04832017/01/10 12:06
by John Sham
Bulk TransmissionDavid25882017/01/07 10:49
by David
Convergence of NEGF in heterostructure S Dechamps65892017/01/05 20:16
by S Dechamps
What is the unit for Kohn-Sham potential in the output file *.vhart.cube and *.v0.cubechen14182017/01/03 18:01
by Artem Pulkin
charge,spin (current densities)Pavan choudary15762016/12/26 21:55
by Mitsuaki Kawamura
IV curve GrapheneMia 17422016/12/26 17:55
by T. Ozaki
crystallographic directionsJulio Aguiar15012016/12/26 17:32
by T. Ozaki
about MAELuca 14562016/12/26 17:26
by T. Ozaki
ErrorSaeid Amjadian04312016/11/20 12:37
by Saeid Amjadian
Non-equlibriumAdalicia15472016/11/18 18:30
by Artem Pulkin
Initial Charge DensitiesClarke97272016/11/15 15:29
by Clarke
Convergence of NEGF for defective GNRsS Dechamps68442016/11/10 20:07
by S Dechamps
how to match the DOS of NEGF with The transmission Pavan choudary35292016/11/09 17:28
by Pavan choudary
Patch 3.8.1 to OpenMX Ver. 3.8T. Ozaki05302016/10/21 15:50
by T. Ozaki
Manual setting of occupation numbersJan-Niclas86652016/10/20 17:22
by T. Ozaki

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