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From AdministratorTaisuke Ozaki051272005/01/09 05:33
by Taisuke Ozaki
Should the constrained spin direction and orbital moment direction be same ?Santu Baidya1182018/03/23 01:13
by T. Ozaki
Constrained optimizationHashmi7372018/03/23 01:04
by T. Ozaki
Spin-orbit interaction and electron structure in NCDFTDaniil62502018/03/23 00:42
by T. Ozaki
LCAO coefficients and overlaps from HS.scfout file are connected?P2132018/03/21 05:38
by P
exchange coupling constants error ycwu0242018/03/13 16:18
by ycwu
Problem in Geometry OptimizationReza42042018/03/12 21:25
by Reza
Using adpack to include core-level Eike F. Schwier1922018/03/05 14:01
by T. Ozaki
error message(NEGF calculation)Yukinori Sakamoto51972018/03/05 13:43
by T. Ozaki
Patch 3.8.4 to OpenMX Ver. 3.8T. Ozaki0532018/03/05 13:33
by T. Ozaki
NEGF calculations.Hashmi5642018/03/05 13:13
by T. Ozaki
undefined reference to Riemann1902018/03/04 21:18
by T. Ozaki
tunneling transport processBoshra1942018/03/04 21:11
by T. Ozaki
Is exchange parameter calculated from band energy Uele ?Min Yi11462018/03/04 08:13
by T. Ozaki
Convergence problem in magnetic slab calculationEike F. Schwier31122018/03/03 21:29
by T. Ozaki
Where does the discontinuity of the applied electric sawtooth potential occur in the super cell?Xiangyang Peng42482018/03/02 15:10
by T. Ozaki
problem while cmpiling openmx3.8 with intel 2015 fang liwen1422018/03/02 15:06
by T. Ozaki
a limit to the number of atomsfxj1412018/03/02 14:55
by T. Ozaki
The total size of the input file xuanlv1422018/03/02 14:53
by T. Ozaki
System.Name.conductancesatoru tanibayashi1652018/03/02 14:40
by T. Ozaki
Convergence problem in scf using HubbardMohammad1782018/02/23 18:45
by T. Ozaki
Is it possible to control orbital occupancy?Pang1602018/02/23 18:37
by T. Ozaki
oxygen atom's optimized PAO similar to 6-31++G** of GTO codesReza2492018/02/23 17:56
by T. Ozaki
Spin texture in OpenMXSamuel Dechamps41182018/01/24 23:22
by Samuel Dechamps
Unable to do NEGF calculaton on the tutorialsPrashant 2962018/01/24 14:47
by Prashant
How to get overlap matrix at each k-pointShogo Nakamura22582017/12/21 13:47
by S. Nakamura
Work function calculations and the PAO cutoff radiusKonstantin Khromov71382017/12/16 23:39
by Naoya Yamaguchi
StudentAmirhossein Bayani51592017/12/15 13:14
by Yung-Ting Lee
A question about scf.KgridMosahhar11522017/12/14 10:34
by Chi-Cheng Lee
Question regarding Wannier calculationsHashmi51652017/12/14 10:28
by Chi-Cheng Lee
Hubbard U calculationReza11402017/12/14 10:12
by Chi-Cheng Lee
Spin direction in Wannier functionMHirayama11222017/12/04 15:18
by MHirayama
Can the heat transfer rate of the model be calculated by the molecular dynamics calibrated by speedfxj0682017/12/01 16:12
by fxj
MD.Init.Velocityfengxiaojng0712017/11/29 16:26
by fengxiaojng
Convergence criterion for NCDFT-SOCEvgenia Kovaleva11022017/11/26 02:55
by Naoya Yamaguchi
K-vector unit in band structure plotMosahhar21012017/11/23 16:02
by Mosahhar
Gaussian cube files and periodicitylzotti21152017/11/20 23:23
by lzotti
Z2 invariant/Chern numberPeter11362017/11/16 16:46
by Hikaru Sawahata
NPA calculation errorReza01072017/11/07 23:56
by Reza
spin index for Kohn-Sham HamiltonianChen11592017/10/26 20:16
by Daniil
error message()Yukinori Sakamoto11402017/10/12 16:53
by Yukinori Sakamoto
clustersdeniz12032017/09/30 11:59
by T. Ozaki
atomic coordinatesMojtaba11902017/09/28 17:32
by Yung Ting Lee
Augment data in scfoutPeter Koval11402017/09/23 09:28
by T. Ozaki
cell stress and atomic stressYukinori Sakamoto12022017/09/07 17:05
by T. Ozaki
MD step update and mixing weight; specification or problem?Asako Terasawa51982017/09/07 17:01
by T. Ozaki
How to get charge distribution for large supercell?G.Banach21892017/08/25 04:35
by G.Banach
how to keep spin directiontata21642017/08/22 11:15
by T. Ozaki
restarttata51642017/08/17 18:22
by tata
How to calculate binding energy of a core level in bulksChuan-Lu Yang11632017/08/17 13:23
by T. Ozaki

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