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Topics Author Replies Views Last Modified
The Divergence of graphene calulcation in ESM model (ON2, M|V|M)Kylin12452017/03/11 09:33
by T. Ozaki
The strange Nan result for negf_example/Lead-L-8ZGNR-NC.datKylin52372017/03/11 09:21
by T. Ozaki
Another possible erratic problem in the Forcetest for F2_GGA.dat and GaAs_LDA.datKylin82262017/03/10 15:55
by T. Ozaki
OMXToolNaoya Yamaguchi11792017/03/10 00:03
by T. Ozaki
VPS and PAO gridsDaniil11322017/03/09 23:38
by T. Ozaki
cuda patchamer21282017/03/09 02:55
by amer
Patch 3.8.3 to OpenMX Ver. 3.8T. Ozaki01192017/03/08 15:01
by T. Ozaki
transmission(bias window)ebrahim11152017/03/08 11:28
by T. Ozaki
openmx-hksArtem Pulkin11542017/03/08 11:09
by T. Ozaki
Japanese manual of the OpenMX Ver. 3.8T. Ozaki01302017/03/08 01:27
by T. Ozaki
Spin density and charge transferAsad21622017/03/04 04:48
by Asad
openmx-3.8.1 and the latest ELPAmarcindulak11752017/03/02 22:49
by T. Ozaki
Patch 3.8.2 to OpenMX Ver. 3.8T. Ozaki01272017/03/02 22:40
by T. Ozaki
OpenMX 3.8 compiling errorShinya Tsukamoto31742017/03/02 22:38
by T. Ozaki
Berry phase calculation failureJohn Sham13442017/03/02 22:34
by T. Ozaki
convergence-graphene sheetDeniz41492017/03/02 21:43
by T. Ozaki
DFT-D3 for grapheneS Dechamps12392017/03/02 14:51
by T. Ozaki
Open Coredch21192017/03/02 13:51
by T. Ozaki
non-collinear anglesRoman Borovic12062017/03/02 11:53
by T. Ozaki
For parallel compile "make -j"Atsushi M. Ito11872017/03/02 11:46
by T. Ozaki
Variable cell optimization with external pressureLe The Anh11942017/03/02 10:24
by T. Ozaki
MD.Opt.EveryDIISamer11402017/02/26 13:20
by Naoya Yamaguchi
Spin polarization versus bias voltage Fronquer01062017/02/22 19:50
by Fronquer
negf-vcrelaxhamed62052017/01/27 20:55
by Artem Pulkin
drPeter Brodnicki11602017/01/21 01:56
by Artem Pulkin
SCF not converged in Non-linear DFT calculationXiaoqing Liang01762017/01/19 07:25
by Xiaoqing Liang
convergenceamir01602017/01/18 04:48
by amir
found an overcomplete basis setJohn Sham01922017/01/10 12:06
by John Sham
Bulk TransmissionDavid22862017/01/07 10:49
by David
Convergence of NEGF in heterostructure S Dechamps62352017/01/05 20:16
by S Dechamps
What is the unit for Kohn-Sham potential in the output file *.vhart.cube and *.v0.cubechen11572017/01/03 18:01
by Artem Pulkin
charge,spin (current densities)Pavan choudary12562016/12/26 21:55
by Mitsuaki Kawamura
IV curve GrapheneMia 13052016/12/26 17:55
by T. Ozaki
crystallographic directionsJulio Aguiar12252016/12/26 17:32
by T. Ozaki
about MAELuca 11752016/12/26 17:26
by T. Ozaki
ErrorSaeid Amjadian01882016/11/20 12:37
by Saeid Amjadian
Non-equlibriumAdalicia12282016/11/18 18:30
by Artem Pulkin
Initial Charge DensitiesClarke92772016/11/15 15:29
by Clarke
Convergence of NEGF for defective GNRsS Dechamps63872016/11/10 20:07
by S Dechamps
how to match the DOS of NEGF with The transmission Pavan choudary32212016/11/09 17:28
by Pavan choudary
Patch 3.8.1 to OpenMX Ver. 3.8T. Ozaki02672016/10/21 15:50
by T. Ozaki
Manual setting of occupation numbersJan-Niclas82992016/10/20 17:22
by T. Ozaki
Implementation of EDM using the continued fraction representation of Fermi functionAri Ojanperä12122016/10/18 00:07
by T. Ozaki
Problem about Mulliken population analysisduan22722016/10/16 23:12
by T. Ozaki
Analysis of NEGF resultsRohit22502016/10/16 22:31
by TO
PAOs for anionsDaniil12652016/10/16 22:09
by T. Ozaki
DIIS geometry optimizationNikhil22912016/10/16 21:55
by T. Ozaki
Bychkov-Rashba effect is dependent on the relative position of the system in the cell Dubois S.22822016/10/16 21:45
by T. Ozaki
alignment of band structure with vaccum levelRenato Borges Pontes22612016/10/16 19:03
by T. Ozaki
magnetic anisotropy energy calculated seems wrong!Shekoufe Khosravi22942016/10/16 19:01
by T. Ozaki

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