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From AdministratorTaisuke Ozaki056302005/01/09 05:33
by Taisuke Ozaki
Nose-Hoover heat bath massPavel Ondracka0222019/09/12 18:56
by Pavel Ondracka
Compiling Jx executable in ubuntuAltan4452019/09/09 17:17
by Altan
orbital contributions of exchange coupling parametersBin Shao21212019/09/04 11:28
by Hongkee Yoon
Solvent modelLovleen Kaur0272019/09/02 18:22
by Lovleen Kaur
NEGF calculations converge to unphysical results when 2 leads are differentMaxim Visotin1552019/09/02 16:08
by Maxim Visotin
Understanding exchange coupling parameter calculationJhon W. Gonzalez0502019/08/30 07:26
by Jhon W. Gonzalez
optimization lattice constants of charged single layer 2d metallic materialsBin Shao0362019/08/27 14:03
by Bin Shao
Vdw-d3(bj) for 'band' calculationNikolai31862019/08/25 05:51
by Jhon W. Gonzalez
Mismatch DOS with conductance profile Devanand2462019/08/23 15:50
by Naoya Yamaguchi
How can we get the I-V curves with openmxRyoehi Nishioka2722019/08/22 16:17
by Ryoehi Nishioka
How to normalize charge density calculated from HOMO-LUMOEike F. Schwier72312019/08/21 20:07
by Eike F. Schwier
nan error in optimization of Fe doped Arm chair graphene nano ribbonLovleen Kaur0452019/08/20 21:57
by Lovleen Kaur
DFT+SOC --- bandgnu13 generates only BANDDAT1 file.Maedeh2532019/08/20 18:50
by Maedeh
Very high noise and stoping calculationDouglas0352019/08/16 21:51
by Douglas
convergence problem (the last thread can not display correctly)Bin Shao3772019/08/07 14:22
by Naoya Yamaguchi
convergence problemBin Shao0452019/07/25 17:09
by Bin Shao
inconsistent magnetic solutions of bcc FeBin Shao2592019/07/24 17:51
by Bin Shao
NEB OptimizationReza1592019/07/23 17:31
by Naoya Yamaguchi
Questions about the magnetic moment in NEGF calculationsH Y ZHOU0732019/07/17 21:46
by H Y ZHOU
Negative charge on Al in Al-doped AGNRLovleen Kaur1782019/07/14 02:31
by Yung-Ting Lee
Higher Bond length of Arsenous acidLovleen Kaur0442019/07/13 16:12
by Lovleen Kaur
NEB QuestionReza0712019/07/05 00:31
by Reza
charge density Alisa2992019/07/03 16:58
by Yung-Ting
The problem difference charge density Alisa61342019/06/28 10:40
by Alisa
Elastic Constant of Cu - 6.0Hs3p3d3C. Pashartis21112019/06/21 20:14
by C. Pashartis
NEB output fileReza0722019/06/21 15:49
by Reza
Re: Installation of openmx in ubuntudeniz41172019/06/16 02:52
by Naoya Yamaguchi
Error in installationM.S35132019/06/15 06:44
by deniz
Hamiltonian matrix fileMaedeh52842019/06/08 05:12
by Maedeh
Questions about functionalsAleksey01022019/06/06 20:57
by Aleksey
Some Suggestions about new versionReza11992019/05/30 05:57
by Po-Hao Chang
Installation of OpenMX in IUAC cluster server Vicky141882019/05/30 02:54
by Naoya Yamaguchi
Cell optimization with Krylov subspace methodPavel Ondračka0872019/05/28 20:18
by Pavel Ondračka
GGA+Ureza01122019/05/23 18:45
by reza
convergence for ESM calculation with on4 in HfO2Z Jiang01082019/05/18 06:40
by Z Jiang
Zeeman term in the OpenMx is not working!Santu Baidya31342019/05/15 11:23
by Santu Baidya
Memory ConsumptionReza31332019/05/03 02:42
by Reza
SCFOUT Error - Hamiltonian incorrectly saved for MD.Type OptJ. Chapman111812019/04/04 01:29
by J. Chapman
The problem of RF constrained optimization with patch 3.8.4 and 3.8.5Alisa41582019/03/27 00:40
by Naoya Yamaguchi
installation errorHaider Abbas51842019/03/15 05:12
by Naoya Yamaguchi
Error occurs when NEB calculation runs with DFT-D3Kunihiro Yananose22012019/03/05 13:57
by Kunihiro Yananose
Graphene Band CalculationsLovleen Kaur54152019/02/09 03:21
by Naoya Yamaguchi
How to apply periodic boundary conditionssanjeev42562019/02/08 23:03
by Kylin
JRCAT 244p and JAIST 2122pJ. Chapman12702019/01/29 19:15
by Naoya Yamaguchi
NEGF for a thin filmSachin02132018/12/26 23:49
by Sachin
negf optimizationmath01772018/12/26 18:25
by math
Anomalies in bandstructure of NdAlO3Aleksey12552018/12/18 08:46
by Aleksey
Controlling SOC strengthjhong63672018/11/27 15:09
by jhong
The output file is not updatedxuemei01702018/11/26 10:38
by xuemei

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