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Topics Author Replies Views Last Modified
Mismatch DOS with conductance profile Devanand24962019/08/23 15:50
by Naoya Yamaguchi
How can we get the I-V curves with openmxRyoehi Nishioka26362019/08/22 16:17
by Ryoehi Nishioka
How to normalize charge density calculated from HOMO-LUMOEike F. Schwier710462019/08/21 20:07
by Eike F. Schwier
Very high noise and stoping calculationDouglas04502019/08/16 21:51
by Douglas
convergence problem (the last thread can not display correctly)Bin Shao36902019/08/07 14:22
by Naoya Yamaguchi
convergence problemBin Shao04972019/07/25 17:09
by Bin Shao
inconsistent magnetic solutions of bcc FeBin Shao25542019/07/24 17:51
by Bin Shao
NEB OptimizationReza14942019/07/23 17:31
by Naoya Yamaguchi
Questions about the magnetic moment in NEGF calculationsH Y ZHOU05712019/07/17 21:46
by H Y ZHOU
Negative charge on Al in Al-doped AGNRLovleen Kaur16282019/07/14 02:31
by Yung-Ting Lee
NEB QuestionReza05502019/07/05 00:31
by Reza
charge density Alisa26272019/07/03 16:58
by Yung-Ting
The problem difference charge density Alisa67362019/06/28 10:40
by Alisa
Elastic Constant of Cu - 6.0Hs3p3d3C. Pashartis26592019/06/21 20:14
by C. Pashartis
NEB output fileReza04762019/06/21 15:49
by Reza
Error in installationM.S318422019/06/15 06:44
by deniz
Hamiltonian matrix fileMaedeh59342019/06/08 05:12
by Maedeh
Questions about functionalsAleksey06642019/06/06 20:57
by Aleksey
Some Suggestions about new versionReza17412019/05/30 05:57
by Po-Hao Chang
Installation of OpenMX in IUAC cluster server Vicky147542019/05/30 02:54
by Naoya Yamaguchi
Cell optimization with Krylov subspace methodPavel Ondračka05312019/05/28 20:18
by Pavel Ondračka
GGA+Ureza06362019/05/23 18:45
by reza
convergence for ESM calculation with on4 in HfO2Z Jiang06182019/05/18 06:40
by Z Jiang
Zeeman term in the OpenMx is not working!Santu Baidya36502019/05/15 11:23
by Santu Baidya
Memory ConsumptionReza35702019/05/03 02:42
by Reza
SCFOUT Error - Hamiltonian incorrectly saved for MD.Type OptJ. Chapman118542019/04/04 01:29
by J. Chapman
The problem of RF constrained optimization with patch 3.8.4 and 3.8.5Alisa46772019/03/27 00:40
by Naoya Yamaguchi
installation errorHaider Abbas58422019/03/15 05:12
by Naoya Yamaguchi
Error occurs when NEB calculation runs with DFT-D3Kunihiro Yananose26512019/03/05 13:57
by Kunihiro Yananose
Graphene Band CalculationsLovleen Kaur516632019/02/09 03:21
by Naoya Yamaguchi
How to apply periodic boundary conditionssanjeev410132019/02/08 23:03
by Kylin
JRCAT 244p and JAIST 2122pJ. Chapman17092019/01/29 19:15
by Naoya Yamaguchi
NEGF for a thin filmSachin06692018/12/26 23:49
by Sachin
negf optimizationmath05552018/12/26 18:25
by math
Anomalies in bandstructure of NdAlO3Aleksey17252018/12/18 08:46
by Aleksey
Controlling SOC strengthjhong612312018/11/27 15:09
by jhong
The output file is not updatedxuemei05252018/11/26 10:38
by xuemei
The problems of constrained optimization with EFxm47952018/11/20 23:23
by xm
The problem about NEGF calculationWeiqi Li48462018/11/08 17:03
by Weiqi Li
PAO questionWeiqi Li17132018/11/07 18:22
by Weiqi Li
projected direction in pdosMaedeh05832018/10/18 02:20
by Maedeh
transition probability calculation for metal cluster (rare metal)Manabu Inukai26892018/10/17 14:48
by Manabu Inukai
Electric field perpendicular to 2D materialssabike18882018/10/13 00:54
by Po-Hao
convergence of optimizationsabike29992018/10/11 23:07
by sabike
How to calculate charge density and deformation charge density with openmxxm07682018/10/11 09:17
by xm
compilation error: openmx 3.8Renato 1123942018/10/11 02:35
by Renato
planar-averaged electrostatic potential Po-Hao535722018/10/09 12:00
by Naoya Yamaguchi
Transport direction in 2D slab NEGF calculationZHOU Jiaqi08422018/09/28 14:59
by ZHOU Jiaqi
transport direction for thin filmPrashant49982018/09/14 12:57
by Prashant
Vacancy study with OpenMxSamuel Dechamps17172018/09/13 13:00
by Naoya Yamaguchi

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