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Topics Author Replies Views Last Modified
Questions about the magnetic moment in NEGF calculationsH Y ZHOU01552019/07/17 21:46
by H Y ZHOU
Negative charge on Al in Al-doped AGNRLovleen Kaur11702019/07/14 02:31
by Yung-Ting Lee
NEB QuestionReza01472019/07/05 00:31
by Reza
charge density Alisa21792019/07/03 16:58
by Yung-Ting
The problem difference charge density Alisa62122019/06/28 10:40
by Alisa
Elastic Constant of Cu - 6.0Hs3p3d3C. Pashartis21992019/06/21 20:14
by C. Pashartis
NEB output fileReza01372019/06/21 15:49
by Reza
Error in installationM.S36912019/06/15 06:44
by deniz
Hamiltonian matrix fileMaedeh53742019/06/08 05:12
by Maedeh
Questions about functionalsAleksey01902019/06/06 20:57
by Aleksey
Some Suggestions about new versionReza12852019/05/30 05:57
by Po-Hao Chang
Installation of OpenMX in IUAC cluster server Vicky142792019/05/30 02:54
by Naoya Yamaguchi
Cell optimization with Krylov subspace methodPavel Ondračka01512019/05/28 20:18
by Pavel Ondračka
GGA+Ureza01832019/05/23 18:45
by reza
convergence for ESM calculation with on4 in HfO2Z Jiang01782019/05/18 06:40
by Z Jiang
Zeeman term in the OpenMx is not working!Santu Baidya32152019/05/15 11:23
by Santu Baidya
Memory ConsumptionReza31932019/05/03 02:42
by Reza
SCFOUT Error - Hamiltonian incorrectly saved for MD.Type OptJ. Chapman112982019/04/04 01:29
by J. Chapman
The problem of RF constrained optimization with patch 3.8.4 and 3.8.5Alisa42332019/03/27 00:40
by Naoya Yamaguchi
installation errorHaider Abbas52762019/03/15 05:12
by Naoya Yamaguchi
Error occurs when NEB calculation runs with DFT-D3Kunihiro Yananose22622019/03/05 13:57
by Kunihiro Yananose
Graphene Band CalculationsLovleen Kaur55822019/02/09 03:21
by Naoya Yamaguchi
How to apply periodic boundary conditionssanjeev43542019/02/08 23:03
by Kylin
JRCAT 244p and JAIST 2122pJ. Chapman13122019/01/29 19:15
by Naoya Yamaguchi
NEGF for a thin filmSachin02672018/12/26 23:49
by Sachin
negf optimizationmath02212018/12/26 18:25
by math
Anomalies in bandstructure of NdAlO3Aleksey13042018/12/18 08:46
by Aleksey
Controlling SOC strengthjhong64662018/11/27 15:09
by jhong
The output file is not updatedxuemei02092018/11/26 10:38
by xuemei
The problems of constrained optimization with EFxm43512018/11/20 23:23
by xm
The problem about NEGF calculationWeiqi Li43672018/11/08 17:03
by Weiqi Li
PAO questionWeiqi Li13052018/11/07 18:22
by Weiqi Li
projected direction in pdosMaedeh02512018/10/18 02:20
by Maedeh
transition probability calculation for metal cluster (rare metal)Manabu Inukai22852018/10/17 14:48
by Manabu Inukai
Electric field perpendicular to 2D materialssabike14162018/10/13 00:54
by Po-Hao
convergence of optimizationsabike24172018/10/11 23:07
by sabike
How to calculate charge density and deformation charge density with openmxxm03412018/10/11 09:17
by xm
compilation error: openmx 3.8Renato 118212018/10/11 02:35
by Renato
planar-averaged electrostatic potential Po-Hao511112018/10/09 12:00
by Naoya Yamaguchi
Transport direction in 2D slab NEGF calculationZHOU Jiaqi03532018/09/28 14:59
by ZHOU Jiaqi
transport direction for thin filmPrashant45592018/09/14 12:57
by Prashant
Vacancy study with OpenMxSamuel Dechamps13582018/09/13 13:00
by Naoya Yamaguchi
Patches to apply to build OpenMX with clangYuri03142018/09/11 11:19
by Yuri
NEGF vs Surface Green's function calculationEike F. Schwier03782018/09/06 12:44
by Eike F. Schwier
A question on vdW parameter ‘DFTD.IntDirection'ZHOU Jiaqi12932018/08/30 22:16
by T. Ozaki
errors in Indium PAO file?Tomonori Tanaka23652018/08/15 07:27
by Tomonori Tanaka
OpenMX Exchange coupling parameter: J per each orbitalJ.S.Feng26452018/08/14 12:02
by Hongkee Yoon
NEGF with gate voltage for molecular junctionsDongzhe Li13962018/08/07 17:33
by T. Ozaki
Fermi level dependence on basis setDechamps Samuel34432018/08/07 17:18
by T. Ozaki
work function with ESM modeljiang54972018/08/03 04:14
by jiang

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