OpenMX Forum
New Thread | Return Home | Mailing List | Points of Concern | Search | Past Log | Administration    

List of Threads

Topics Author Replies Views Last Modified
The Divergence of graphene calulcation in ESM model (ON2, M|V|M)Kylin120832017/03/11 09:33
by T. Ozaki
The strange Nan result for negf_example/Lead-L-8ZGNR-NC.datKylin524622017/03/11 09:21
by T. Ozaki
Another possible erratic problem in the Forcetest for F2_GGA.dat and GaAs_LDA.datKylin819942017/03/10 15:55
by T. Ozaki
OMXToolNaoya Yamaguchi120772017/03/10 00:03
by T. Ozaki
VPS and PAO gridsDaniil117392017/03/09 23:38
by T. Ozaki
cuda patchamer215782017/03/09 02:55
by amer
Patch 3.8.3 to OpenMX Ver. 3.8T. Ozaki014302017/03/08 15:01
by T. Ozaki
transmission(bias window)ebrahim118092017/03/08 11:28
by T. Ozaki
openmx-hksArtem Pulkin122292017/03/08 11:09
by T. Ozaki
Japanese manual of the OpenMX Ver. 3.8T. Ozaki015372017/03/08 01:27
by T. Ozaki
Spin density and charge transferAsad217092017/03/04 04:48
by Asad
openmx-3.8.1 and the latest ELPAmarcindulak121242017/03/02 22:49
by T. Ozaki
Patch 3.8.2 to OpenMX Ver. 3.8T. Ozaki016392017/03/02 22:40
by T. Ozaki
OpenMX 3.8 compiling errorShinya Tsukamoto319492017/03/02 22:38
by T. Ozaki
Berry phase calculation failureJohn Sham119212017/03/02 22:34
by T. Ozaki
convergence-graphene sheetDeniz419052017/03/02 21:43
by T. Ozaki
DFT-D3 for grapheneS Dechamps123412017/03/02 14:51
by T. Ozaki
Open Coredch217722017/03/02 13:51
by T. Ozaki
non-collinear anglesRoman Borovic121132017/03/02 11:53
by T. Ozaki
For parallel compile "make -j"Atsushi M. Ito117192017/03/02 11:46
by T. Ozaki
Variable cell optimization with external pressureLe The Anh117942017/03/02 10:24
by T. Ozaki
MD.Opt.EveryDIISamer119112017/02/26 13:20
by Naoya Yamaguchi
Spin polarization versus bias voltage Fronquer015852017/02/22 19:50
by Fronquer
negf-vcrelaxhamed616362017/01/27 20:55
by Artem Pulkin
drPeter Brodnicki114662017/01/21 01:56
by Artem Pulkin
SCF not converged in Non-linear DFT calculationXiaoqing Liang015432017/01/19 07:25
by Xiaoqing Liang
convergenceamir014832017/01/18 04:48
by amir
found an overcomplete basis setJohn Sham015512017/01/10 12:06
by John Sham
Bulk TransmissionDavid219352017/01/07 10:49
by David
Convergence of NEGF in heterostructure S Dechamps622352017/01/05 20:16
by S Dechamps
What is the unit for Kohn-Sham potential in the output file *.vhart.cube and *.v0.cubechen115432017/01/03 18:01
by Artem Pulkin
charge,spin (current densities)Pavan choudary121532016/12/26 21:55
by Mitsuaki Kawamura
IV curve GrapheneMia 122722016/12/26 17:55
by T. Ozaki
crystallographic directionsJulio Aguiar115332016/12/26 17:32
by T. Ozaki
about MAELuca 117362016/12/26 17:26
by T. Ozaki
ErrorSaeid Amjadian014412016/11/20 12:37
by Saeid Amjadian
Non-equlibriumAdalicia116282016/11/18 18:30
by Artem Pulkin
Initial Charge DensitiesClarke932662016/11/15 15:29
by Clarke
Convergence of NEGF for defective GNRsS Dechamps624812016/11/10 20:07
by S Dechamps
how to match the DOS of NEGF with The transmission Pavan choudary317152016/11/09 17:28
by Pavan choudary
Patch 3.8.1 to OpenMX Ver. 3.8T. Ozaki015492016/10/21 15:50
by T. Ozaki
Manual setting of occupation numbersJan-Niclas822332016/10/20 17:22
by T. Ozaki
Implementation of EDM using the continued fraction representation of Fermi functionAri Ojanperä117802016/10/18 00:07
by T. Ozaki
Problem about Mulliken population analysisduan218802016/10/16 23:12
by T. Ozaki
Analysis of NEGF resultsRohit216472016/10/16 22:31
by TO
PAOs for anionsDaniil116822016/10/16 22:09
by T. Ozaki
DIIS geometry optimizationNikhil219432016/10/16 21:55
by T. Ozaki
Bychkov-Rashba effect is dependent on the relative position of the system in the cell Dubois S.218252016/10/16 21:45
by T. Ozaki
alignment of band structure with vaccum levelRenato Borges Pontes217412016/10/16 19:03
by T. Ozaki
magnetic anisotropy energy calculated seems wrong!Shekoufe Khosravi219362016/10/16 19:01
by T. Ozaki

Page: [1] [2] [3] [4] [5] [6] [7] [8] [9] [10] [11] [12] [13] [14] [15] [16] [17] [18] [19] [20] [21] [22] [23] [24] [25] [26] [27] [28] [29] [30] [31] [32] [33]


Open Thread    Locked Thread    Alarm(More than 900 replies)   Message from Administrator


- Web Patio -