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Topics Author Replies Views Last Modified
compiling issuesLuca28802017/04/09 21:45
by Luca
OpenMX input by OpenMX ViewerT. Ozaki09012017/04/08 10:43
by T. Ozaki
tips for NEGF calculations: Mulliken charges, basis sets, ghost atoms, convergencelzotti27472017/04/08 00:36
by lzotti
Can I optimize the "Optimized PAO"?Pui-Wai (Leo) Ma58372017/03/31 17:50
by Pui-Wai (Leo) Ma
gap calculation with homo-lumoMaedeh27822017/03/27 15:31
by Maedeh
weird output in ".dat#"Pui-Wai (Leo) Ma67452017/03/26 23:53
by Kylin
ERROR: Lapack routine DSTEQR failedPui-Wai (Leo) Ma28622017/03/26 18:27
by T. Ozaki
The misterious performance deteriorationKylin27882017/03/21 09:27
by T. Ozaki
Beginner's question for OpenMX 3.7A. Vogt38572017/03/20 21:47
by A. Vogt
openmx3.6amer26482017/03/15 15:25
by amer
Fatal error in NEGF runAndy109892017/03/14 18:55
by Fronquer
leadsamin26302017/03/13 19:34
by Artem Pulkin
The Divergence of graphene calulcation in ESM model (ON2, M|V|M)Kylin110122017/03/11 09:33
by T. Ozaki
The strange Nan result for negf_example/Lead-L-8ZGNR-NC.datKylin514642017/03/11 09:21
by T. Ozaki
Another possible erratic problem in the Forcetest for F2_GGA.dat and GaAs_LDA.datKylin89902017/03/10 15:55
by T. Ozaki
OMXToolNaoya Yamaguchi19642017/03/10 00:03
by T. Ozaki
VPS and PAO gridsDaniil17002017/03/09 23:38
by T. Ozaki
cuda patchamer26842017/03/09 02:55
by amer
Patch 3.8.3 to OpenMX Ver. 3.8T. Ozaki06152017/03/08 15:01
by T. Ozaki
transmission(bias window)ebrahim18642017/03/08 11:28
by T. Ozaki
openmx-hksArtem Pulkin18912017/03/08 11:09
by T. Ozaki
Japanese manual of the OpenMX Ver. 3.8T. Ozaki06732017/03/08 01:27
by T. Ozaki
Spin density and charge transferAsad27672017/03/04 04:48
by Asad
openmx-3.8.1 and the latest ELPAmarcindulak19382017/03/02 22:49
by T. Ozaki
Patch 3.8.2 to OpenMX Ver. 3.8T. Ozaki07862017/03/02 22:40
by T. Ozaki
OpenMX 3.8 compiling errorShinya Tsukamoto310122017/03/02 22:38
by T. Ozaki
Berry phase calculation failureJohn Sham111212017/03/02 22:34
by T. Ozaki
convergence-graphene sheetDeniz49162017/03/02 21:43
by T. Ozaki
DFT-D3 for grapheneS Dechamps111242017/03/02 14:51
by T. Ozaki
Open Coredch27002017/03/02 13:51
by T. Ozaki
non-collinear anglesRoman Borovic19222017/03/02 11:53
by T. Ozaki
For parallel compile "make -j"Atsushi M. Ito18132017/03/02 11:46
by T. Ozaki
Variable cell optimization with external pressureLe The Anh18512017/03/02 10:24
by T. Ozaki
MD.Opt.EveryDIISamer18152017/02/26 13:20
by Naoya Yamaguchi
Spin polarization versus bias voltage Fronquer07112017/02/22 19:50
by Fronquer
negf-vcrelaxhamed67802017/01/27 20:55
by Artem Pulkin
drPeter Brodnicki16722017/01/21 01:56
by Artem Pulkin
SCF not converged in Non-linear DFT calculationXiaoqing Liang06622017/01/19 07:25
by Xiaoqing Liang
convergenceamir06642017/01/18 04:48
by amir
found an overcomplete basis setJohn Sham07622017/01/10 12:06
by John Sham
Bulk TransmissionDavid28972017/01/07 10:49
by David
Convergence of NEGF in heterostructure S Dechamps610272017/01/05 20:16
by S Dechamps
What is the unit for Kohn-Sham potential in the output file *.vhart.cube and *.v0.cubechen16862017/01/03 18:01
by Artem Pulkin
charge,spin (current densities)Pavan choudary19122016/12/26 21:55
by Mitsuaki Kawamura
IV curve GrapheneMia 112302016/12/26 17:55
by T. Ozaki
crystallographic directionsJulio Aguiar17522016/12/26 17:32
by T. Ozaki
about MAELuca 17622016/12/26 17:26
by T. Ozaki
ErrorSaeid Amjadian07202016/11/20 12:37
by Saeid Amjadian
Non-equlibriumAdalicia18122016/11/18 18:30
by Artem Pulkin
Initial Charge DensitiesClarke914342016/11/15 15:29
by Clarke

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