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Topics Author Replies Views Last Modified
problem while cmpiling openmx3.8 with intel 2015 fang liwen110502018/03/02 15:06
by T. Ozaki
a limit to the number of atomsfxj110822018/03/02 14:55
by T. Ozaki
The total size of the input file xuanlv111152018/03/02 14:53
by T. Ozaki
System.Name.conductancesatoru tanibayashi110032018/03/02 14:40
by T. Ozaki
Convergence problem in scf using HubbardMohammad112182018/02/23 18:45
by T. Ozaki
Is it possible to control orbital occupancy?Pang110062018/02/23 18:37
by T. Ozaki
Spin texture in OpenMXSamuel Dechamps417152018/01/24 23:22
by Samuel Dechamps
Unable to do NEGF calculaton on the tutorialsPrashant 213972018/01/24 14:47
by Prashant
How to get overlap matrix at each k-pointShogo Nakamura222792017/12/21 13:47
by S. Nakamura
Work function calculations and the PAO cutoff radiusKonstantin Khromov717592017/12/16 23:39
by Naoya Yamaguchi
StudentAmirhossein Bayani513952017/12/15 13:14
by Yung-Ting Lee
A question about scf.KgridMosahhar111552017/12/14 10:34
by Chi-Cheng Lee
Question regarding Wannier calculationsHashmi517342017/12/14 10:28
by Chi-Cheng Lee
Hubbard U calculationReza112172017/12/14 10:12
by Chi-Cheng Lee
Spin direction in Wannier functionMHirayama112222017/12/04 15:18
by MHirayama
Can the heat transfer rate of the model be calculated by the molecular dynamics calibrated by speedfxj010072017/12/01 16:12
by fxj
MD.Init.Velocityfengxiaojng09952017/11/29 16:26
by fengxiaojng
Convergence criterion for NCDFT-SOCEvgenia Kovaleva112222017/11/26 02:55
by Naoya Yamaguchi
K-vector unit in band structure plotMosahhar210452017/11/23 16:02
by Mosahhar
Gaussian cube files and periodicitylzotti212062017/11/20 23:23
by lzotti
Z2 invariant/Chern numberPeter114382017/11/16 16:46
by Hikaru Sawahata
spin index for Kohn-Sham HamiltonianChen111282017/10/26 20:16
by Daniil
error message()Yukinori Sakamoto112112017/10/12 16:53
by Yukinori Sakamoto
clustersdeniz111602017/09/30 11:59
by T. Ozaki
atomic coordinatesMojtaba115242017/09/28 17:32
by Yung Ting Lee
Augment data in scfoutPeter Koval111612017/09/23 09:28
by T. Ozaki
cell stress and atomic stressYukinori Sakamoto112242017/09/07 17:05
by T. Ozaki
MD step update and mixing weight; specification or problem?Asako Terasawa512932017/09/07 17:01
by T. Ozaki
How to get charge distribution for large supercell?G.Banach211522017/08/25 04:35
by G.Banach
how to keep spin directiontata211982017/08/22 11:15
by T. Ozaki
restarttata511522017/08/17 18:22
by tata
How to calculate binding energy of a core level in bulksChuan-Lu Yang110822017/08/17 13:23
by T. Ozaki
mpich & openmpitata216312017/08/03 17:40
by tata
exchange couplingtata113552017/08/01 22:48
by T. Ozaki
OpenFFT non-orthogonal boxPui-Wai (Leo) Ma111042017/08/01 22:46
by T. Ozaki
Convergence problem?Asako Terasawa522892017/08/01 18:07
by Asako Terasawa
External pseudopotentials and large structuresDaniil1317822017/07/17 03:57
by Daniil
Dipole Moment CorrectionSomesh Bhattacharya114092017/07/15 00:11
by Christopher Latham
How to assign Hubbard U values to the two d basis orbitals of Fe atom (LDA+U)?Xiangyang Peng422962017/07/06 11:14
by Xiangyang Peng
about Charge doping ?Viet Hung Nguyen616592017/07/05 02:43
by Viet Hung Nguyen
unable to make VPS for C with adpack (segmentation fault) [CONFIRMED]Chris Latham1018922017/07/03 01:16
by Daniil
Simulating point chargesDaniil212552017/06/27 22:57
by Daniil
Density matrices for NC DFTDaniil715742017/06/27 22:40
by Daniil
Dft-negfJeffri113272017/06/27 14:27
by T. Ozaki
STM imagesDaniel Souza111172017/06/27 14:08
by T. Ozaki
Re: electron g factor [SOLVED]Chris Latham216812017/06/24 22:26
by Chris Latham
band vs. cluster methodstata212992017/06/24 21:51
by tata
ELPA OpenMP/MPIPui-Wai (Leo) Ma112212017/06/24 17:22
by T. Ozaki
What is the local y-axis in Wannier calculationsP112562017/06/24 17:05
by T. Ozaki
Electronic entropy appears to be missingChris Latham213042017/06/19 04:35
by Chris Latham

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