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Topics Author Replies Views Last Modified
openmx3.6amer214712017/03/15 15:25
by amer
Fatal error in NEGF runAndy1021072017/03/14 18:55
by Fronquer
leadsamin215542017/03/13 19:34
by Artem Pulkin
The Divergence of graphene calulcation in ESM model (ON2, M|V|M)Kylin120972017/03/11 09:33
by T. Ozaki
The strange Nan result for negf_example/Lead-L-8ZGNR-NC.datKylin524712017/03/11 09:21
by T. Ozaki
Another possible erratic problem in the Forcetest for F2_GGA.dat and GaAs_LDA.datKylin819972017/03/10 15:55
by T. Ozaki
OMXToolNaoya Yamaguchi120892017/03/10 00:03
by T. Ozaki
VPS and PAO gridsDaniil117512017/03/09 23:38
by T. Ozaki
cuda patchamer215822017/03/09 02:55
by amer
Patch 3.8.3 to OpenMX Ver. 3.8T. Ozaki014412017/03/08 15:01
by T. Ozaki
transmission(bias window)ebrahim118232017/03/08 11:28
by T. Ozaki
openmx-hksArtem Pulkin122392017/03/08 11:09
by T. Ozaki
Japanese manual of the OpenMX Ver. 3.8T. Ozaki015442017/03/08 01:27
by T. Ozaki
Spin density and charge transferAsad217202017/03/04 04:48
by Asad
openmx-3.8.1 and the latest ELPAmarcindulak121322017/03/02 22:49
by T. Ozaki
Patch 3.8.2 to OpenMX Ver. 3.8T. Ozaki016482017/03/02 22:40
by T. Ozaki
OpenMX 3.8 compiling errorShinya Tsukamoto319552017/03/02 22:38
by T. Ozaki
Berry phase calculation failureJohn Sham119272017/03/02 22:34
by T. Ozaki
convergence-graphene sheetDeniz419202017/03/02 21:43
by T. Ozaki
DFT-D3 for grapheneS Dechamps123552017/03/02 14:51
by T. Ozaki
Open Coredch217802017/03/02 13:51
by T. Ozaki
non-collinear anglesRoman Borovic121282017/03/02 11:53
by T. Ozaki
For parallel compile "make -j"Atsushi M. Ito117282017/03/02 11:46
by T. Ozaki
Variable cell optimization with external pressureLe The Anh118022017/03/02 10:24
by T. Ozaki
MD.Opt.EveryDIISamer119222017/02/26 13:20
by Naoya Yamaguchi
Spin polarization versus bias voltage Fronquer015902017/02/22 19:50
by Fronquer
negf-vcrelaxhamed616432017/01/27 20:55
by Artem Pulkin
drPeter Brodnicki114722017/01/21 01:56
by Artem Pulkin
SCF not converged in Non-linear DFT calculationXiaoqing Liang015502017/01/19 07:25
by Xiaoqing Liang
convergenceamir014892017/01/18 04:48
by amir
found an overcomplete basis setJohn Sham015552017/01/10 12:06
by John Sham
Bulk TransmissionDavid219462017/01/07 10:49
by David
Convergence of NEGF in heterostructure S Dechamps622512017/01/05 20:16
by S Dechamps
What is the unit for Kohn-Sham potential in the output file *.vhart.cube and *.v0.cubechen115512017/01/03 18:01
by Artem Pulkin
charge,spin (current densities)Pavan choudary121692016/12/26 21:55
by Mitsuaki Kawamura
IV curve GrapheneMia 122812016/12/26 17:55
by T. Ozaki
crystallographic directionsJulio Aguiar115422016/12/26 17:32
by T. Ozaki
about MAELuca 117472016/12/26 17:26
by T. Ozaki
ErrorSaeid Amjadian014482016/11/20 12:37
by Saeid Amjadian
Non-equlibriumAdalicia116362016/11/18 18:30
by Artem Pulkin
Initial Charge DensitiesClarke933032016/11/15 15:29
by Clarke
Convergence of NEGF for defective GNRsS Dechamps624942016/11/10 20:07
by S Dechamps
how to match the DOS of NEGF with The transmission Pavan choudary317252016/11/09 17:28
by Pavan choudary
Patch 3.8.1 to OpenMX Ver. 3.8T. Ozaki015552016/10/21 15:50
by T. Ozaki
Manual setting of occupation numbersJan-Niclas822442016/10/20 17:22
by T. Ozaki
Implementation of EDM using the continued fraction representation of Fermi functionAri Ojanperä117902016/10/18 00:07
by T. Ozaki
Problem about Mulliken population analysisduan218912016/10/16 23:12
by T. Ozaki
Analysis of NEGF resultsRohit216562016/10/16 22:31
by TO
PAOs for anionsDaniil116912016/10/16 22:09
by T. Ozaki
DIIS geometry optimizationNikhil219612016/10/16 21:55
by T. Ozaki

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