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Topics Author Replies Views Last Modified
compiling issuesLuca26162017/04/09 21:45
by Luca
OpenMX input by OpenMX ViewerT. Ozaki06722017/04/08 10:43
by T. Ozaki
tips for NEGF calculations: Mulliken charges, basis sets, ghost atoms, convergencelzotti25692017/04/08 00:36
by lzotti
Can I optimize the "Optimized PAO"?Pui-Wai (Leo) Ma56322017/03/31 17:50
by Pui-Wai (Leo) Ma
gap calculation with homo-lumoMaedeh25642017/03/27 15:31
by Maedeh
weird output in ".dat#"Pui-Wai (Leo) Ma65632017/03/26 23:53
by Kylin
ERROR: Lapack routine DSTEQR failedPui-Wai (Leo) Ma25352017/03/26 18:27
by T. Ozaki
The misterious performance deteriorationKylin25802017/03/21 09:27
by T. Ozaki
Beginner's question for OpenMX 3.7A. Vogt36382017/03/20 21:47
by A. Vogt
openmx3.6amer24712017/03/15 15:25
by amer
Fatal error in NEGF runAndy107782017/03/14 18:55
by Fronquer
leadsamin24492017/03/13 19:34
by Artem Pulkin
The Divergence of graphene calulcation in ESM model (ON2, M|V|M)Kylin17952017/03/11 09:33
by T. Ozaki
The strange Nan result for negf_example/Lead-L-8ZGNR-NC.datKylin512722017/03/11 09:21
by T. Ozaki
Another possible erratic problem in the Forcetest for F2_GGA.dat and GaAs_LDA.datKylin87662017/03/10 15:55
by T. Ozaki
OMXToolNaoya Yamaguchi16932017/03/10 00:03
by T. Ozaki
VPS and PAO gridsDaniil15232017/03/09 23:38
by T. Ozaki
cuda patchamer25192017/03/09 02:55
by amer
Patch 3.8.3 to OpenMX Ver. 3.8T. Ozaki04652017/03/08 15:01
by T. Ozaki
transmission(bias window)ebrahim16322017/03/08 11:28
by T. Ozaki
openmx-hksArtem Pulkin16502017/03/08 11:09
by T. Ozaki
Japanese manual of the OpenMX Ver. 3.8T. Ozaki05242017/03/08 01:27
by T. Ozaki
Spin density and charge transferAsad25902017/03/04 04:48
by Asad
openmx-3.8.1 and the latest ELPAmarcindulak16562017/03/02 22:49
by T. Ozaki
Patch 3.8.2 to OpenMX Ver. 3.8T. Ozaki06062017/03/02 22:40
by T. Ozaki
OpenMX 3.8 compiling errorShinya Tsukamoto37402017/03/02 22:38
by T. Ozaki
Berry phase calculation failureJohn Sham19562017/03/02 22:34
by T. Ozaki
convergence-graphene sheetDeniz47282017/03/02 21:43
by T. Ozaki
DFT-D3 for grapheneS Dechamps18982017/03/02 14:51
by T. Ozaki
Open Coredch25232017/03/02 13:51
by T. Ozaki
non-collinear anglesRoman Borovic16862017/03/02 11:53
by T. Ozaki
For parallel compile "make -j"Atsushi M. Ito16232017/03/02 11:46
by T. Ozaki
Variable cell optimization with external pressureLe The Anh16552017/03/02 10:24
by T. Ozaki
MD.Opt.EveryDIISamer15992017/02/26 13:20
by Naoya Yamaguchi
Spin polarization versus bias voltage Fronquer05252017/02/22 19:50
by Fronquer
negf-vcrelaxhamed66302017/01/27 20:55
by Artem Pulkin
drPeter Brodnicki15252017/01/21 01:56
by Artem Pulkin
SCF not converged in Non-linear DFT calculationXiaoqing Liang05162017/01/19 07:25
by Xiaoqing Liang
convergenceamir05282017/01/18 04:48
by amir
found an overcomplete basis setJohn Sham06102017/01/10 12:06
by John Sham
Bulk TransmissionDavid27282017/01/07 10:49
by David
Convergence of NEGF in heterostructure S Dechamps67692017/01/05 20:16
by S Dechamps
What is the unit for Kohn-Sham potential in the output file *.vhart.cube and *.v0.cubechen15442017/01/03 18:01
by Artem Pulkin
charge,spin (current densities)Pavan choudary17252016/12/26 21:55
by Mitsuaki Kawamura
IV curve GrapheneMia 19402016/12/26 17:55
by T. Ozaki
crystallographic directionsJulio Aguiar16102016/12/26 17:32
by T. Ozaki
about MAELuca 15912016/12/26 17:26
by T. Ozaki
ErrorSaeid Amjadian05622016/11/20 12:37
by Saeid Amjadian
Non-equlibriumAdalicia16612016/11/18 18:30
by Artem Pulkin
Initial Charge DensitiesClarke910402016/11/15 15:29
by Clarke

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