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Topics Author Replies Views Last Modified
OPENMX support GPUfurtrue15182018/03/28 12:55
by T. Ozaki
Convergence and time-consuming issues of large-scale calculations xmzhang23782018/03/26 11:37
by xmzhang
The memory size can be reduced by a hybrid parallel methodfurtrue13202018/03/23 21:41
by T. Ozaki
Constrained optimizationHashmi84622018/03/23 11:36
by Hashmi
Should the constrained spin direction and orbital moment direction be same ?Santu Baidya12812018/03/23 01:13
by T. Ozaki
LCAO coefficients and overlaps from HS.scfout file are connected?P23022018/03/21 05:38
by P
exchange coupling constants error ycwu03362018/03/13 16:18
by ycwu
Problem in Geometry OptimizationReza46172018/03/12 21:25
by Reza
error message(NEGF calculation)Yukinori Sakamoto55902018/03/05 13:43
by T. Ozaki
Patch 3.8.4 to OpenMX Ver. 3.8T. Ozaki03442018/03/05 13:33
by T. Ozaki
NEGF calculations.Hashmi54402018/03/05 13:13
by T. Ozaki
undefined reference to Riemann13732018/03/04 21:18
by T. Ozaki
tunneling transport processBoshra13562018/03/04 21:11
by T. Ozaki
Is exchange parameter calculated from band energy Uele ?Min Yi15092018/03/04 08:13
by T. Ozaki
Where does the discontinuity of the applied electric sawtooth potential occur in the super cell?Xiangyang Peng45992018/03/02 15:10
by T. Ozaki
problem while cmpiling openmx3.8 with intel 2015 fang liwen12972018/03/02 15:06
by T. Ozaki
a limit to the number of atomsfxj12622018/03/02 14:55
by T. Ozaki
The total size of the input file xuanlv12722018/03/02 14:53
by T. Ozaki
System.Name.conductancesatoru tanibayashi12972018/03/02 14:40
by T. Ozaki
Convergence problem in scf using HubbardMohammad13962018/02/23 18:45
by T. Ozaki
Is it possible to control orbital occupancy?Pang13012018/02/23 18:37
by T. Ozaki
Spin texture in OpenMXSamuel Dechamps46652018/01/24 23:22
by Samuel Dechamps
Unable to do NEGF calculaton on the tutorialsPrashant 25342018/01/24 14:47
by Prashant
How to get overlap matrix at each k-pointShogo Nakamura26112017/12/21 13:47
by S. Nakamura
Work function calculations and the PAO cutoff radiusKonstantin Khromov75572017/12/16 23:39
by Naoya Yamaguchi
StudentAmirhossein Bayani55022017/12/15 13:14
by Yung-Ting Lee
A question about scf.KgridMosahhar14172017/12/14 10:34
by Chi-Cheng Lee
Question regarding Wannier calculationsHashmi55692017/12/14 10:28
by Chi-Cheng Lee
Hubbard U calculationReza14402017/12/14 10:12
by Chi-Cheng Lee
Spin direction in Wannier functionMHirayama13982017/12/04 15:18
by MHirayama
Can the heat transfer rate of the model be calculated by the molecular dynamics calibrated by speedfxj02932017/12/01 16:12
by fxj
MD.Init.Velocityfengxiaojng02812017/11/29 16:26
by fengxiaojng
Convergence criterion for NCDFT-SOCEvgenia Kovaleva13782017/11/26 02:55
by Naoya Yamaguchi
K-vector unit in band structure plotMosahhar23012017/11/23 16:02
by Mosahhar
Gaussian cube files and periodicitylzotti23702017/11/20 23:23
by lzotti
Z2 invariant/Chern numberPeter15252017/11/16 16:46
by Hikaru Sawahata
spin index for Kohn-Sham HamiltonianChen13832017/10/26 20:16
by Daniil
error message()Yukinori Sakamoto14002017/10/12 16:53
by Yukinori Sakamoto
clustersdeniz14452017/09/30 11:59
by T. Ozaki
atomic coordinatesMojtaba15332017/09/28 17:32
by Yung Ting Lee
Augment data in scfoutPeter Koval13522017/09/23 09:28
by T. Ozaki
cell stress and atomic stressYukinori Sakamoto14452017/09/07 17:05
by T. Ozaki
MD step update and mixing weight; specification or problem?Asako Terasawa54352017/09/07 17:01
by T. Ozaki
How to get charge distribution for large supercell?G.Banach24132017/08/25 04:35
by G.Banach
how to keep spin directiontata24082017/08/22 11:15
by T. Ozaki
restarttata54162017/08/17 18:22
by tata
How to calculate binding energy of a core level in bulksChuan-Lu Yang13672017/08/17 13:23
by T. Ozaki
mpich & openmpitata25942017/08/03 17:40
by tata
exchange couplingtata14472017/08/01 22:48
by T. Ozaki
OpenFFT non-orthogonal boxPui-Wai (Leo) Ma13802017/08/01 22:46
by T. Ozaki

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