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 strange Nan result for negf_example/Lead-L-8ZGNR-NC.datKylin524422017/03/11 09:21
by T. Ozaki
Another possible erratic problem in the Forcetest for F2_GGA.dat and GaAs_LDA.datKylin819822017/03/10 15:55
by T. Ozaki
OMXToolNaoya Yamaguchi120612017/03/10 00:03
by T. Ozaki
VPS and PAO gridsDaniil117272017/03/09 23:38
by T. Ozaki
cuda patchamer215662017/03/09 02:55
by amer
Patch 3.8.3 to OpenMX Ver. 3.8T. Ozaki014122017/03/08 15:01
by T. Ozaki
transmission(bias window)ebrahim117912017/03/08 11:28
by T. Ozaki
openmx-hksArtem Pulkin122012017/03/08 11:09
by T. Ozaki
Japanese manual of the OpenMX Ver. 3.8T. Ozaki015152017/03/08 01:27
by T. Ozaki
Spin density and charge transferAsad216912017/03/04 04:48
by Asad
openmx-3.8.1 and the latest ELPAmarcindulak121032017/03/02 22:49
by T. Ozaki
Patch 3.8.2 to OpenMX Ver. 3.8T. Ozaki016222017/03/02 22:40
by T. Ozaki
OpenMX 3.8 compiling errorShinya Tsukamoto319332017/03/02 22:38
by T. Ozaki
Berry phase calculation failureJohn Sham119092017/03/02 22:34
by T. Ozaki
convergence-graphene sheetDeniz418842017/03/02 21:43
by T. Ozaki
DFT-D3 for grapheneS Dechamps123292017/03/02 14:51
by T. Ozaki
Open Coredch217592017/03/02 13:51
by T. Ozaki
non-collinear anglesRoman Borovic120922017/03/02 11:53
by T. Ozaki
For parallel compile "make -j"Atsushi M. Ito117092017/03/02 11:46
by T. Ozaki
Variable cell optimization with external pressureLe The Anh117822017/03/02 10:24
by T. Ozaki
MD.Opt.EveryDIISamer118992017/02/26 13:20
by Naoya Yamaguchi
Spin polarization versus bias voltage Fronquer015742017/02/22 19:50
by Fronquer
negf-vcrelaxhamed616222017/01/27 20:55
by Artem Pulkin
drPeter Brodnicki114552017/01/21 01:56
by Artem Pulkin
SCF not converged in Non-linear DFT calculationXiaoqing Liang015332017/01/19 07:25
by Xiaoqing Liang
convergenceamir014712017/01/18 04:48
by amir
found an overcomplete basis setJohn Sham015362017/01/10 12:06
by John Sham
Bulk TransmissionDavid219252017/01/07 10:49
by David
Convergence of NEGF in heterostructure S Dechamps622162017/01/05 20:16
by S Dechamps
What is the unit for Kohn-Sham potential in the output file *.vhart.cube and *.v0.cubechen115322017/01/03 18:01
by Artem Pulkin
charge,spin (current densities)Pavan choudary121222016/12/26 21:55
by Mitsuaki Kawamura
IV curve GrapheneMia 122582016/12/26 17:55
by T. Ozaki
crystallographic directionsJulio Aguiar115192016/12/26 17:32
by T. Ozaki
about MAELuca 117212016/12/26 17:26
by T. Ozaki
ErrorSaeid Amjadian014282016/11/20 12:37
by Saeid Amjadian
Non-equlibriumAdalicia116152016/11/18 18:30
by Artem Pulkin
Initial Charge DensitiesClarke932202016/11/15 15:29
by Clarke
Convergence of NEGF for defective GNRsS Dechamps624502016/11/10 20:07
by S Dechamps
how to match the DOS of NEGF with The transmission Pavan choudary317022016/11/09 17:28
by Pavan choudary
Patch 3.8.1 to OpenMX Ver. 3.8T. Ozaki015302016/10/21 15:50
by T. Ozaki
Manual setting of occupation numbersJan-Niclas822062016/10/20 17:22
by T. Ozaki
Implementation of EDM using the continued fraction representation of Fermi functionAri Ojanperä117682016/10/18 00:07
by T. Ozaki
Problem about Mulliken population analysisduan218652016/10/16 23:12
by T. Ozaki
Analysis of NEGF resultsRohit216362016/10/16 22:31
by TO
PAOs for anionsDaniil116662016/10/16 22:09
by T. Ozaki
DIIS geometry optimizationNikhil219242016/10/16 21:55
by T. Ozaki
Bychkov-Rashba effect is dependent on the relative position of the system in the cell Dubois S.218042016/10/16 21:45
by T. Ozaki
alignment of band structure with vaccum levelRenato Borges Pontes217232016/10/16 19:03
by T. Ozaki
magnetic anisotropy energy calculated seems wrong!Shekoufe Khosravi219152016/10/16 19:01
by T. Ozaki
error on make TranMain with Ubuntu 14.04 LTSDiego017022016/10/05 07:00
by Diego

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 -