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Topics Author Replies Views Last Modified
optimization lattice constants of charged single layer 2d metallic materialsBin Shao03022019/08/27 14:03
by Bin Shao
Vdw-d3(bj) for 'band' calculationNikolai34422019/08/25 05:51
by Jhon W. Gonzalez
Mismatch DOS with conductance profile Devanand22502019/08/23 15:50
by Naoya Yamaguchi
How can we get the I-V curves with openmxRyoehi Nishioka23312019/08/22 16:17
by Ryoehi Nishioka
How to normalize charge density calculated from HOMO-LUMOEike F. Schwier75932019/08/21 20:07
by Eike F. Schwier
Very high noise and stoping calculationDouglas02232019/08/16 21:51
by Douglas
convergence problem (the last thread can not display correctly)Bin Shao33732019/08/07 14:22
by Naoya Yamaguchi
convergence problemBin Shao02492019/07/25 17:09
by Bin Shao
inconsistent magnetic solutions of bcc FeBin Shao23062019/07/24 17:51
by Bin Shao
NEB OptimizationReza12592019/07/23 17:31
by Naoya Yamaguchi
Questions about the magnetic moment in NEGF calculationsH Y ZHOU02982019/07/17 21:46
by H Y ZHOU
Negative charge on Al in Al-doped AGNRLovleen Kaur13432019/07/14 02:31
by Yung-Ting Lee
NEB QuestionReza02832019/07/05 00:31
by Reza
charge density Alisa23402019/07/03 16:58
by Yung-Ting
The problem difference charge density Alisa64202019/06/28 10:40
by Alisa
Elastic Constant of Cu - 6.0Hs3p3d3C. Pashartis23632019/06/21 20:14
by C. Pashartis
NEB output fileReza02462019/06/21 15:49
by Reza
Error in installationM.S311482019/06/15 06:44
by deniz
Hamiltonian matrix fileMaedeh55642019/06/08 05:12
by Maedeh
Questions about functionalsAleksey03752019/06/06 20:57
by Aleksey
Some Suggestions about new versionReza14562019/05/30 05:57
by Po-Hao Chang
Installation of OpenMX in IUAC cluster server Vicky144602019/05/30 02:54
by Naoya Yamaguchi
Cell optimization with Krylov subspace methodPavel Ondračka02782019/05/28 20:18
by Pavel Ondračka
GGA+Ureza03222019/05/23 18:45
by reza
convergence for ESM calculation with on4 in HfO2Z Jiang03422019/05/18 06:40
by Z Jiang
Zeeman term in the OpenMx is not working!Santu Baidya33842019/05/15 11:23
by Santu Baidya
Memory ConsumptionReza33202019/05/03 02:42
by Reza
SCFOUT Error - Hamiltonian incorrectly saved for MD.Type OptJ. Chapman115332019/04/04 01:29
by J. Chapman
The problem of RF constrained optimization with patch 3.8.4 and 3.8.5Alisa44042019/03/27 00:40
by Naoya Yamaguchi
installation errorHaider Abbas54932019/03/15 05:12
by Naoya Yamaguchi
Error occurs when NEB calculation runs with DFT-D3Kunihiro Yananose23962019/03/05 13:57
by Kunihiro Yananose
Graphene Band CalculationsLovleen Kaur510332019/02/09 03:21
by Naoya Yamaguchi
How to apply periodic boundary conditionssanjeev46222019/02/08 23:03
by Kylin
JRCAT 244p and JAIST 2122pJ. Chapman14262019/01/29 19:15
by Naoya Yamaguchi
NEGF for a thin filmSachin04082018/12/26 23:49
by Sachin
negf optimizationmath03382018/12/26 18:25
by math
Anomalies in bandstructure of NdAlO3Aleksey14242018/12/18 08:46
by Aleksey
Controlling SOC strengthjhong67532018/11/27 15:09
by jhong
The output file is not updatedxuemei03152018/11/26 10:38
by xuemei
The problems of constrained optimization with EFxm45152018/11/20 23:23
by xm
The problem about NEGF calculationWeiqi Li45472018/11/08 17:03
by Weiqi Li
PAO questionWeiqi Li14402018/11/07 18:22
by Weiqi Li
projected direction in pdosMaedeh03612018/10/18 02:20
by Maedeh
transition probability calculation for metal cluster (rare metal)Manabu Inukai24172018/10/17 14:48
by Manabu Inukai
Electric field perpendicular to 2D materialssabike15762018/10/13 00:54
by Po-Hao
convergence of optimizationsabike26202018/10/11 23:07
by sabike
How to calculate charge density and deformation charge density with openmxxm05192018/10/11 09:17
by xm
compilation error: openmx 3.8Renato 1115672018/10/11 02:35
by Renato
planar-averaged electrostatic potential Po-Hao520812018/10/09 12:00
by Naoya Yamaguchi
Transport direction in 2D slab NEGF calculationZHOU Jiaqi05222018/09/28 14:59
by ZHOU Jiaqi

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