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Topics Author Replies Views Last Modified
convergence problem (the last thread can not display correctly)Bin Shao310042019/08/07 14:22
by Naoya Yamaguchi
convergence problemBin Shao07772019/07/25 17:09
by Bin Shao
inconsistent magnetic solutions of bcc FeBin Shao28502019/07/24 17:51
by Bin Shao
NEB OptimizationReza17872019/07/23 17:31
by Naoya Yamaguchi
Questions about the magnetic moment in NEGF calculationsH Y ZHOU08262019/07/17 21:46
by H Y ZHOU
Negative charge on Al in Al-doped AGNRLovleen Kaur19352019/07/14 02:31
by Yung-Ting Lee
NEB QuestionReza08372019/07/05 00:31
by Reza
charge density Alisa210622019/07/03 16:58
by Yung-Ting
The problem difference charge density Alisa612982019/06/28 10:40
by Alisa
Elastic Constant of Cu - 6.0Hs3p3d3C. Pashartis29742019/06/21 20:14
by C. Pashartis
NEB output fileReza07442019/06/21 15:49
by Reza
Error in installationM.S325632019/06/15 06:44
by deniz
Hamiltonian matrix fileMaedeh515652019/06/08 05:12
by Maedeh
Questions about functionalsAleksey09792019/06/06 20:57
by Aleksey
Some Suggestions about new versionReza110862019/05/30 05:57
by Po-Hao Chang
Installation of OpenMX in IUAC cluster server Vicky1412542019/05/30 02:54
by Naoya Yamaguchi
Cell optimization with Krylov subspace methodPavel Ondračka08182019/05/28 20:18
by Pavel Ondračka
GGA+Ureza09282019/05/23 18:45
by reza
convergence for ESM calculation with on4 in HfO2Z Jiang09092019/05/18 06:40
by Z Jiang
Zeeman term in the OpenMx is not working!Santu Baidya39532019/05/15 11:23
by Santu Baidya
Memory ConsumptionReza38392019/05/03 02:42
by Reza
SCFOUT Error - Hamiltonian incorrectly saved for MD.Type OptJ. Chapman1112192019/04/04 01:29
by J. Chapman
The problem of RF constrained optimization with patch 3.8.4 and 3.8.5Alisa49872019/03/27 00:40
by Naoya Yamaguchi
installation errorHaider Abbas511852019/03/15 05:12
by Naoya Yamaguchi
Error occurs when NEB calculation runs with DFT-D3Kunihiro Yananose210122019/03/05 13:57
by Kunihiro Yananose
Graphene Band CalculationsLovleen Kaur522102019/02/09 03:21
by Naoya Yamaguchi
How to apply periodic boundary conditionssanjeev414222019/02/08 23:03
by Kylin
JRCAT 244p and JAIST 2122pJ. Chapman110322019/01/29 19:15
by Naoya Yamaguchi
NEGF for a thin filmSachin09542018/12/26 23:49
by Sachin
negf optimizationmath08192018/12/26 18:25
by math
Anomalies in bandstructure of NdAlO3Aleksey110252018/12/18 08:46
by Aleksey
Controlling SOC strengthjhong617282018/11/27 15:09
by jhong
The output file is not updatedxuemei08262018/11/26 10:38
by xuemei
The problems of constrained optimization with EFxm411232018/11/20 23:23
by xm
The problem about NEGF calculationWeiqi Li411552018/11/08 17:03
by Weiqi Li
PAO questionWeiqi Li110042018/11/07 18:22
by Weiqi Li
projected direction in pdosMaedeh08862018/10/18 02:20
by Maedeh
transition probability calculation for metal cluster (rare metal)Manabu Inukai29872018/10/17 14:48
by Manabu Inukai
Electric field perpendicular to 2D materialssabike112172018/10/13 00:54
by Po-Hao
convergence of optimizationsabike213522018/10/11 23:07
by sabike
How to calculate charge density and deformation charge density with openmxxm010662018/10/11 09:17
by xm
compilation error: openmx 3.8Renato 1140852018/10/11 02:35
by Renato
planar-averaged electrostatic potential Po-Hao548632018/10/09 12:00
by Naoya Yamaguchi
Transport direction in 2D slab NEGF calculationZHOU Jiaqi011472018/09/28 14:59
by ZHOU Jiaqi
transport direction for thin filmPrashant412912018/09/14 12:57
by Prashant
Vacancy study with OpenMxSamuel Dechamps110232018/09/13 13:00
by Naoya Yamaguchi
Patches to apply to build OpenMX with clangYuri010292018/09/11 11:19
by Yuri
NEGF vs Surface Green's function calculationEike F. Schwier011082018/09/06 12:44
by Eike F. Schwier
A question on vdW parameter ‘DFTD.IntDirection'ZHOU Jiaqi110422018/08/30 22:16
by T. Ozaki
errors in Indium PAO file?Tomonori Tanaka29972018/08/15 07:27
by Tomonori Tanaka

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