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

List of Threads

Topics Author Replies Views Last Modified
Is exchange parameter calculated from band energy Uele ?Min Yi15972018/03/04 08:13
by T. Ozaki
Where does the discontinuity of the applied electric sawtooth potential occur in the super cell?Xiangyang Peng46682018/03/02 15:10
by T. Ozaki
problem while cmpiling openmx3.8 with intel 2015 fang liwen13662018/03/02 15:06
by T. Ozaki
a limit to the number of atomsfxj13162018/03/02 14:55
by T. Ozaki
The total size of the input file xuanlv13352018/03/02 14:53
by T. Ozaki
System.Name.conductancesatoru tanibayashi13482018/03/02 14:40
by T. Ozaki
Convergence problem in scf using HubbardMohammad14802018/02/23 18:45
by T. Ozaki
Is it possible to control orbital occupancy?Pang13462018/02/23 18:37
by T. Ozaki
Spin texture in OpenMXSamuel Dechamps48002018/01/24 23:22
by Samuel Dechamps
Unable to do NEGF calculaton on the tutorialsPrashant 26232018/01/24 14:47
by Prashant
How to get overlap matrix at each k-pointShogo Nakamura27022017/12/21 13:47
by S. Nakamura
Work function calculations and the PAO cutoff radiusKonstantin Khromov76812017/12/16 23:39
by Naoya Yamaguchi
StudentAmirhossein Bayani55682017/12/15 13:14
by Yung-Ting Lee
A question about scf.KgridMosahhar14772017/12/14 10:34
by Chi-Cheng Lee
Question regarding Wannier calculationsHashmi56792017/12/14 10:28
by Chi-Cheng Lee
Hubbard U calculationReza15152017/12/14 10:12
by Chi-Cheng Lee
Spin direction in Wannier functionMHirayama14542017/12/04 15:18
by MHirayama
Can the heat transfer rate of the model be calculated by the molecular dynamics calibrated by speedfxj03482017/12/01 16:12
by fxj
MD.Init.Velocityfengxiaojng03382017/11/29 16:26
by fengxiaojng
Convergence criterion for NCDFT-SOCEvgenia Kovaleva14472017/11/26 02:55
by Naoya Yamaguchi
K-vector unit in band structure plotMosahhar23592017/11/23 16:02
by Mosahhar
Gaussian cube files and periodicitylzotti24382017/11/20 23:23
by lzotti
Z2 invariant/Chern numberPeter16082017/11/16 16:46
by Hikaru Sawahata
spin index for Kohn-Sham HamiltonianChen14342017/10/26 20:16
by Daniil
error message()Yukinori Sakamoto14702017/10/12 16:53
by Yukinori Sakamoto
clustersdeniz14962017/09/30 11:59
by T. Ozaki
atomic coordinatesMojtaba16332017/09/28 17:32
by Yung Ting Lee
Augment data in scfoutPeter Koval14112017/09/23 09:28
by T. Ozaki
cell stress and atomic stressYukinori Sakamoto15142017/09/07 17:05
by T. Ozaki
MD step update and mixing weight; specification or problem?Asako Terasawa55002017/09/07 17:01
by T. Ozaki
How to get charge distribution for large supercell?G.Banach24762017/08/25 04:35
by G.Banach
how to keep spin directiontata24672017/08/22 11:15
by T. Ozaki
restarttata54632017/08/17 18:22
by tata
How to calculate binding energy of a core level in bulksChuan-Lu Yang14252017/08/17 13:23
by T. Ozaki
mpich & openmpitata26752017/08/03 17:40
by tata
exchange couplingtata14992017/08/01 22:48
by T. Ozaki
OpenFFT non-orthogonal boxPui-Wai (Leo) Ma14222017/08/01 22:46
by T. Ozaki
Convergence problem?Asako Terasawa59012017/08/01 18:07
by Asako Terasawa
External pseudopotentials and large structuresDaniil138322017/07/17 03:57
by Daniil
Dipole Moment CorrectionSomesh Bhattacharya15302017/07/15 00:11
by Christopher Latham
How to assign Hubbard U values to the two d basis orbitals of Fe atom (LDA+U)?Xiangyang Peng48142017/07/06 11:14
by Xiangyang Peng
about Charge doping ?Viet Hung Nguyen66962017/07/05 02:43
by Viet Hung Nguyen
unable to make VPS for C with adpack (segmentation fault) [CONFIRMED]Chris Latham107022017/07/03 01:16
by Daniil
Simulating point chargesDaniil25072017/06/27 22:57
by Daniil
Density matrices for NC DFTDaniil76462017/06/27 22:40
by Daniil
Dft-negfJeffri16882017/06/27 14:27
by T. Ozaki
STM imagesDaniel Souza14302017/06/27 14:08
by T. Ozaki
Re: electron g factor [SOLVED]Chris Latham26752017/06/24 22:26
by Chris Latham
band vs. cluster methodstata25672017/06/24 21:51
by tata
ELPA OpenMP/MPIPui-Wai (Leo) Ma14672017/06/24 17:22
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]


Open Thread    Locked Thread    Alarm(More than 90 replies)   Message from Administrator


- Web Patio -