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From AdministratorTaisuke Ozaki056092005/01/09 05:33
by Taisuke Ozaki
Mismatch DOS with conductance profile Devanand2162019/08/23 15:50
by Naoya Yamaguchi
NEGF calculations converge to unphysical results when 2 leads are differentMaxim Visotin062019/08/23 12:14
by Maxim Visotin
How can we get the I-V curves with openmxRyoehi Nishioka2292019/08/22 16:17
by Ryoehi Nishioka
orbital contributions of exchange coupling parametersBin Shao1622019/08/21 22:59
by Jhon W. Gonzalez
How to normalize charge density calculated from HOMO-LUMOEike F. Schwier71872019/08/21 20:07
by Eike F. Schwier
nan error in optimization of Fe doped Arm chair graphene nano ribbonLovleen Kaur0122019/08/20 21:57
by Lovleen Kaur
DFT+SOC --- bandgnu13 generates only BANDDAT1 file.Maedeh2222019/08/20 18:50
by Maedeh
Very high noise and stoping calculationDouglas0162019/08/16 21:51
by Douglas
convergence problem (the last thread can not display correctly)Bin Shao3552019/08/07 14:22
by Naoya Yamaguchi
convergence problemBin Shao0292019/07/25 17:09
by Bin Shao
inconsistent magnetic solutions of bcc FeBin Shao2412019/07/24 17:51
by Bin Shao
NEB OptimizationReza1392019/07/23 17:31
by Naoya Yamaguchi
Questions about the magnetic moment in NEGF calculationsH Y ZHOU0472019/07/17 21:46
by H Y ZHOU
Negative charge on Al in Al-doped AGNRLovleen Kaur1552019/07/14 02:31
by Yung-Ting Lee
Higher Bond length of Arsenous acidLovleen Kaur0292019/07/13 16:12
by Lovleen Kaur
NEB QuestionReza0542019/07/05 00:31
by Reza
charge density Alisa2732019/07/03 16:58
by Yung-Ting
The problem difference charge density Alisa61102019/06/28 10:40
by Alisa
Elastic Constant of Cu - 6.0Hs3p3d3C. Pashartis2922019/06/21 20:14
by C. Pashartis
NEB output fileReza0572019/06/21 15:49
by Reza
Re: Installation of openmx in ubuntudeniz4882019/06/16 02:52
by Naoya Yamaguchi
Error in installationM.S34842019/06/15 06:44
by deniz
Hamiltonian matrix fileMaedeh52612019/06/08 05:12
by Maedeh
Questions about functionalsAleksey0822019/06/06 20:57
by Aleksey
Some Suggestions about new versionReza11782019/05/30 05:57
by Po-Hao Chang
Installation of OpenMX in IUAC cluster server Vicky141682019/05/30 02:54
by Naoya Yamaguchi
Cell optimization with Krylov subspace methodPavel Ondračka0742019/05/28 20:18
by Pavel Ondračka
GGA+Ureza0942019/05/23 18:45
by reza
convergence for ESM calculation with on4 in HfO2Z Jiang0942019/05/18 06:40
by Z Jiang
Zeeman term in the OpenMx is not working!Santu Baidya31152019/05/15 11:23
by Santu Baidya
Memory ConsumptionReza31132019/05/03 02:42
by Reza
Vdw-d3(bj) for 'band' calculationNikolai21442019/04/08 15:25
by Nikolai
SCFOUT Error - Hamiltonian incorrectly saved for MD.Type OptJ. Chapman111622019/04/04 01:29
by J. Chapman
The problem of RF constrained optimization with patch 3.8.4 and 3.8.5Alisa41382019/03/27 00:40
by Naoya Yamaguchi
installation errorHaider Abbas51632019/03/15 05:12
by Naoya Yamaguchi
Error occurs when NEB calculation runs with DFT-D3Kunihiro Yananose21812019/03/05 13:57
by Kunihiro Yananose
Graphene Band CalculationsLovleen Kaur53892019/02/09 03:21
by Naoya Yamaguchi
How to apply periodic boundary conditionssanjeev42302019/02/08 23:03
by Kylin
JRCAT 244p and JAIST 2122pJ. Chapman12502019/01/29 19:15
by Naoya Yamaguchi
NEGF for a thin filmSachin01942018/12/26 23:49
by Sachin
negf optimizationmath01612018/12/26 18:25
by math
Anomalies in bandstructure of NdAlO3Aleksey12392018/12/18 08:46
by Aleksey
Controlling SOC strengthjhong63452018/11/27 15:09
by jhong
The output file is not updatedxuemei01552018/11/26 10:38
by xuemei
The problems of constrained optimization with EFxm42672018/11/20 23:23
by xm
The problem about NEGF calculationWeiqi Li42952018/11/08 17:03
by Weiqi Li
PAO questionWeiqi Li12422018/11/07 18:22
by Weiqi Li
projected direction in pdosMaedeh02012018/10/18 02:20
by Maedeh
transition probability calculation for metal cluster (rare metal)Manabu Inukai22232018/10/17 14:48
by Manabu Inukai

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