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From AdministratorTaisuke Ozaki055832005/01/09 05:33
by Taisuke Ozaki
Questions about the magnetic moment in NEGF calculationsH Y ZHOU0112019/07/17 21:46
by H Y ZHOU
Negative charge on Al in Al-doped AGNRLovleen Kaur1252019/07/14 02:31
by Yung-Ting Lee
Higher Bond length of Arsenous acidLovleen Kaur0132019/07/13 16:12
by Lovleen Kaur
NEB QuestionReza0312019/07/05 00:31
by Reza
charge density Alisa2442019/07/03 16:58
by Yung-Ting
The problem difference charge density Alisa6862019/06/28 10:40
by Alisa
orbital contributions of exchange coupling parametersBin Shao0312019/06/26 15:00
by Bin Shao
Elastic Constant of Cu - 6.0Hs3p3d3C. Pashartis2722019/06/21 20:14
by C. Pashartis
NEB output fileReza0422019/06/21 15:49
by Reza
Re: Installation of openmx in ubuntudeniz4592019/06/16 02:52
by Naoya Yamaguchi
Error in installationM.S34492019/06/15 06:44
by deniz
Hamiltonian matrix fileMaedeh52402019/06/08 05:12
by Maedeh
Questions about functionalsAleksey0632019/06/06 20:57
by Aleksey
Some Suggestions about new versionReza11542019/05/30 05:57
by Po-Hao Chang
Installation of OpenMX in IUAC cluster server Vicky141532019/05/30 02:54
by Naoya Yamaguchi
Cell optimization with Krylov subspace methodPavel Ondračka0572019/05/28 20:18
by Pavel Ondračka
GGA+Ureza0742019/05/23 18:45
by reza
convergence for ESM calculation with on4 in HfO2Z Jiang0772019/05/18 06:40
by Z Jiang
Zeeman term in the OpenMx is not working!Santu Baidya3902019/05/15 11:23
by Santu Baidya
Memory ConsumptionReza3962019/05/03 02:42
by Reza
Vdw-d3(bj) for 'band' calculationNikolai21212019/04/08 15:25
by Nikolai
SCFOUT Error - Hamiltonian incorrectly saved for MD.Type OptJ. Chapman111492019/04/04 01:29
by J. Chapman
The problem of RF constrained optimization with patch 3.8.4 and 3.8.5Alisa41212019/03/27 00:40
by Naoya Yamaguchi
installation errorHaider Abbas51452019/03/15 05:12
by Naoya Yamaguchi
Error occurs when NEB calculation runs with DFT-D3Kunihiro Yananose21602019/03/05 13:57
by Kunihiro Yananose
Graphene Band CalculationsLovleen Kaur53522019/02/09 03:21
by Naoya Yamaguchi
How to apply periodic boundary conditionssanjeev41952019/02/08 23:03
by Kylin
JRCAT 244p and JAIST 2122pJ. Chapman12392019/01/29 19:15
by Naoya Yamaguchi
How to normalize charge density calculated from HOMO-LUMOEike F. Schwier21442019/01/24 14:39
by Eike F. Schwier
NEGF for a thin filmSachin01782018/12/26 23:49
by Sachin
negf optimizationmath01462018/12/26 18:25
by math
Anomalies in bandstructure of NdAlO3Aleksey12202018/12/18 08:46
by Aleksey
Controlling SOC strengthjhong63072018/11/27 15:09
by jhong
The output file is not updatedxuemei01432018/11/26 10:38
by xuemei
The problems of constrained optimization with EFxm42492018/11/20 23:23
by xm
The problem about NEGF calculationWeiqi Li42742018/11/08 17:03
by Weiqi Li
PAO questionWeiqi Li12272018/11/07 18:22
by Weiqi Li
projected direction in pdosMaedeh01812018/10/18 02:20
by Maedeh
transition probability calculation for metal cluster (rare metal)Manabu Inukai22072018/10/17 14:48
by Manabu Inukai
Electric field perpendicular to 2D materialssabike13042018/10/13 00:54
by Po-Hao
convergence of optimizationsabike22882018/10/11 23:07
by sabike
How to calculate charge density and deformation charge density with openmxxm02302018/10/11 09:17
by xm
compilation error: openmx 3.8Renato 115002018/10/11 02:35
by Renato
planar-averaged electrostatic potential Po-Hao156712019/06/22 23:55
by asvape
Transport direction in 2D slab NEGF calculationZHOU Jiaqi02562018/09/28 14:59
by ZHOU Jiaqi
transport direction for thin filmPrashant44872018/09/14 12:57
by Prashant
Vacancy study with OpenMxSamuel Dechamps12892018/09/13 13:00
by Naoya Yamaguchi
Patches to apply to build OpenMX with clangYuri02392018/09/11 11:19
by Yuri
NEGF vs Surface Green's function calculationEike F. Schwier02822018/09/06 12:44
by Eike F. Schwier

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