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Topics Author Replies Views Last Modified
exchange coupling constants error ycwu05242018/03/13 16:18
by ycwu
Problem in Geometry OptimizationReza49802018/03/12 21:25
by Reza
error message(NEGF calculation)Yukinori Sakamoto58502018/03/05 13:43
by T. Ozaki
Patch 3.8.4 to OpenMX Ver. 3.8T. Ozaki05242018/03/05 13:33
by T. Ozaki
NEGF calculations.Hashmi57282018/03/05 13:13
by T. Ozaki
undefined reference to Riemann15722018/03/04 21:18
by T. Ozaki
tunneling transport processBoshra15342018/03/04 21:11
by T. Ozaki
Is exchange parameter calculated from band energy Uele ?Min Yi17602018/03/04 08:13
by T. Ozaki
Where does the discontinuity of the applied electric sawtooth potential occur in the super cell?Xiangyang Peng48202018/03/02 15:10
by T. Ozaki
problem while cmpiling openmx3.8 with intel 2015 fang liwen14872018/03/02 15:06
by T. Ozaki
a limit to the number of atomsfxj14412018/03/02 14:55
by T. Ozaki
The total size of the input file xuanlv14792018/03/02 14:53
by T. Ozaki
System.Name.conductancesatoru tanibayashi14542018/03/02 14:40
by T. Ozaki
Convergence problem in scf using HubbardMohammad16132018/02/23 18:45
by T. Ozaki
Is it possible to control orbital occupancy?Pang14562018/02/23 18:37
by T. Ozaki
Spin texture in OpenMXSamuel Dechamps49782018/01/24 23:22
by Samuel Dechamps
Unable to do NEGF calculaton on the tutorialsPrashant 27742018/01/24 14:47
by Prashant
How to get overlap matrix at each k-pointShogo Nakamura29942017/12/21 13:47
by S. Nakamura
Work function calculations and the PAO cutoff radiusKonstantin Khromov79132017/12/16 23:39
by Naoya Yamaguchi
StudentAmirhossein Bayani57562017/12/15 13:14
by Yung-Ting Lee
A question about scf.KgridMosahhar15922017/12/14 10:34
by Chi-Cheng Lee
Question regarding Wannier calculationsHashmi58902017/12/14 10:28
by Chi-Cheng Lee
Hubbard U calculationReza16432017/12/14 10:12
by Chi-Cheng Lee
Spin direction in Wannier functionMHirayama15772017/12/04 15:18
by MHirayama
Can the heat transfer rate of the model be calculated by the molecular dynamics calibrated by speedfxj04672017/12/01 16:12
by fxj
MD.Init.Velocityfengxiaojng04542017/11/29 16:26
by fengxiaojng
Convergence criterion for NCDFT-SOCEvgenia Kovaleva15632017/11/26 02:55
by Naoya Yamaguchi
K-vector unit in band structure plotMosahhar24732017/11/23 16:02
by Mosahhar
Gaussian cube files and periodicitylzotti25532017/11/20 23:23
by lzotti
Z2 invariant/Chern numberPeter17762017/11/16 16:46
by Hikaru Sawahata
spin index for Kohn-Sham HamiltonianChen15472017/10/26 20:16
by Daniil
error message()Yukinori Sakamoto16002017/10/12 16:53
by Yukinori Sakamoto
clustersdeniz16062017/09/30 11:59
by T. Ozaki
atomic coordinatesMojtaba18032017/09/28 17:32
by Yung Ting Lee
Augment data in scfoutPeter Koval15392017/09/23 09:28
by T. Ozaki
cell stress and atomic stressYukinori Sakamoto16382017/09/07 17:05
by T. Ozaki
MD step update and mixing weight; specification or problem?Asako Terasawa56532017/09/07 17:01
by T. Ozaki
How to get charge distribution for large supercell?G.Banach25892017/08/25 04:35
by G.Banach
how to keep spin directiontata25962017/08/22 11:15
by T. Ozaki
restarttata55872017/08/17 18:22
by tata
How to calculate binding energy of a core level in bulksChuan-Lu Yang15432017/08/17 13:23
by T. Ozaki
mpich & openmpitata28572017/08/03 17:40
by tata
exchange couplingtata16412017/08/01 22:48
by T. Ozaki
OpenFFT non-orthogonal boxPui-Wai (Leo) Ma15332017/08/01 22:46
by T. Ozaki
Convergence problem?Asako Terasawa512002017/08/01 18:07
by Asako Terasawa
External pseudopotentials and large structuresDaniil139912017/07/17 03:57
by Daniil
Dipole Moment CorrectionSomesh Bhattacharya16762017/07/15 00:11
by Christopher Latham
How to assign Hubbard U values to the two d basis orbitals of Fe atom (LDA+U)?Xiangyang Peng410602017/07/06 11:14
by Xiangyang Peng
about Charge doping ?Viet Hung Nguyen68492017/07/05 02:43
by Viet Hung Nguyen
unable to make VPS for C with adpack (segmentation fault) [CONFIRMED]Chris Latham109312017/07/03 01:16
by Daniil

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