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

List of Threads

Topics Author Replies Views Last Modified
Patch 3.8.4 to OpenMX Ver. 3.8T. Ozaki012812018/03/05 13:33
by T. Ozaki
NEGF calculations.Hashmi518282018/03/05 13:13
by T. Ozaki
undefined reference to Riemann113992018/03/04 21:18
by T. Ozaki
tunneling transport processBoshra112342018/03/04 21:11
by T. Ozaki
Is exchange parameter calculated from band energy Uele ?Min Yi116502018/03/04 08:13
by T. Ozaki
Where does the discontinuity of the applied electric sawtooth potential occur in the super cell?Xiangyang Peng416822018/03/02 15:10
by T. Ozaki
problem while cmpiling openmx3.8 with intel 2015 fang liwen112172018/03/02 15:06
by T. Ozaki
a limit to the number of atomsfxj112962018/03/02 14:55
by T. Ozaki
The total size of the input file xuanlv113242018/03/02 14:53
by T. Ozaki
System.Name.conductancesatoru tanibayashi111922018/03/02 14:40
by T. Ozaki
Convergence problem in scf using HubbardMohammad114182018/02/23 18:45
by T. Ozaki
Is it possible to control orbital occupancy?Pang111912018/02/23 18:37
by T. Ozaki
Spin texture in OpenMXSamuel Dechamps419592018/01/24 23:22
by Samuel Dechamps
Unable to do NEGF calculaton on the tutorialsPrashant 215992018/01/24 14:47
by Prashant
How to get overlap matrix at each k-pointShogo Nakamura225642017/12/21 13:47
by S. Nakamura
Work function calculations and the PAO cutoff radiusKonstantin Khromov720182017/12/16 23:39
by Naoya Yamaguchi
StudentAmirhossein Bayani515732017/12/15 13:14
by Yung-Ting Lee
A question about scf.KgridMosahhar113682017/12/14 10:34
by Chi-Cheng Lee
Question regarding Wannier calculationsHashmi520542017/12/14 10:28
by Chi-Cheng Lee
Hubbard U calculationReza114142017/12/14 10:12
by Chi-Cheng Lee
Spin direction in Wannier functionMHirayama114132017/12/04 15:18
by MHirayama
Can the heat transfer rate of the model be calculated by the molecular dynamics calibrated by speedfxj011902017/12/01 16:12
by fxj
MD.Init.Velocityfengxiaojng011772017/11/29 16:26
by fengxiaojng
Convergence criterion for NCDFT-SOCEvgenia Kovaleva114912017/11/26 02:55
by Naoya Yamaguchi
K-vector unit in band structure plotMosahhar212492017/11/23 16:02
by Mosahhar
Gaussian cube files and periodicitylzotti214102017/11/20 23:23
by lzotti
Z2 invariant/Chern numberPeter116592017/11/16 16:46
by Hikaru Sawahata
spin index for Kohn-Sham HamiltonianChen113422017/10/26 20:16
by Daniil
error message()Yukinori Sakamoto114122017/10/12 16:53
by Yukinori Sakamoto
clustersdeniz113382017/09/30 11:59
by T. Ozaki
atomic coordinatesMojtaba118202017/09/28 17:32
by Yung Ting Lee
Augment data in scfoutPeter Koval113882017/09/23 09:28
by T. Ozaki
cell stress and atomic stressYukinori Sakamoto114462017/09/07 17:05
by T. Ozaki
MD step update and mixing weight; specification or problem?Asako Terasawa515192017/09/07 17:01
by T. Ozaki
How to get charge distribution for large supercell?G.Banach213442017/08/25 04:35
by G.Banach
how to keep spin directiontata214242017/08/22 11:15
by T. Ozaki
restarttata513752017/08/17 18:22
by tata
How to calculate binding energy of a core level in bulksChuan-Lu Yang113142017/08/17 13:23
by T. Ozaki
mpich & openmpitata218642017/08/03 17:40
by tata
exchange couplingtata115582017/08/01 22:48
by T. Ozaki
OpenFFT non-orthogonal boxPui-Wai (Leo) Ma112802017/08/01 22:46
by T. Ozaki
Convergence problem?Asako Terasawa525752017/08/01 18:07
by Asako Terasawa
External pseudopotentials and large structuresDaniil1320472017/07/17 03:57
by Daniil
Dipole Moment CorrectionSomesh Bhattacharya116822017/07/15 00:11
by Christopher Latham
How to assign Hubbard U values to the two d basis orbitals of Fe atom (LDA+U)?Xiangyang Peng426302017/07/06 11:14
by Xiangyang Peng
about Charge doping ?Viet Hung Nguyen619312017/07/05 02:43
by Viet Hung Nguyen
unable to make VPS for C with adpack (segmentation fault) [CONFIRMED]Chris Latham1021442017/07/03 01:16
by Daniil
Simulating point chargesDaniil214892017/06/27 22:57
by Daniil
Density matrices for NC DFTDaniil718422017/06/27 22:40
by Daniil
Dft-negfJeffri115182017/06/27 14:27
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]


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


- Web Patio -