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Topics Author Replies Views Last Modified
stress calculationHoi12812019/09/21 11:35
by T. Ozaki
DFT+SOC --- bandgnu13 generates only BANDDAT1 file.Maedeh43562019/09/20 23:42
by Maedeh
nan error in optimization of Fe doped Arm chair graphene nano ribbonLovleen Kaur12732019/09/19 11:02
by Jhon W. Gonzalez
Nose-Hoover heat bath massPavel Ondracka13042019/09/16 12:49
by Naoya Yamaguchi
Compiling Jx executable in ubuntuAltan42852019/09/09 17:17
by Altan
orbital contributions of exchange coupling parametersBin Shao23652019/09/04 11:28
by Hongkee Yoon
Solvent modelLovleen Kaur02052019/09/02 18:22
by Lovleen Kaur
Understanding exchange coupling parameter calculationJhon W. Gonzalez02562019/08/30 07:26
by Jhon W. Gonzalez
optimization lattice constants of charged single layer 2d metallic materialsBin Shao02702019/08/27 14:03
by Bin Shao
Vdw-d3(bj) for 'band' calculationNikolai34062019/08/25 05:51
by Jhon W. Gonzalez
Mismatch DOS with conductance profile Devanand22262019/08/23 15:50
by Naoya Yamaguchi
How can we get the I-V curves with openmxRyoehi Nishioka22902019/08/22 16:17
by Ryoehi Nishioka
How to normalize charge density calculated from HOMO-LUMOEike F. Schwier75382019/08/21 20:07
by Eike F. Schwier
Very high noise and stoping calculationDouglas01982019/08/16 21:51
by Douglas
convergence problem (the last thread can not display correctly)Bin Shao33262019/08/07 14:22
by Naoya Yamaguchi
convergence problemBin Shao02182019/07/25 17:09
by Bin Shao
inconsistent magnetic solutions of bcc FeBin Shao22772019/07/24 17:51
by Bin Shao
NEB OptimizationReza12302019/07/23 17:31
by Naoya Yamaguchi
Questions about the magnetic moment in NEGF calculationsH Y ZHOU02672019/07/17 21:46
by H Y ZHOU
Negative charge on Al in Al-doped AGNRLovleen Kaur13142019/07/14 02:31
by Yung-Ting Lee
NEB QuestionReza02502019/07/05 00:31
by Reza
charge density Alisa22992019/07/03 16:58
by Yung-Ting
The problem difference charge density Alisa63632019/06/28 10:40
by Alisa
Elastic Constant of Cu - 6.0Hs3p3d3C. Pashartis23202019/06/21 20:14
by C. Pashartis
NEB output fileReza02202019/06/21 15:49
by Reza
Error in installationM.S310122019/06/15 06:44
by deniz
Hamiltonian matrix fileMaedeh55222019/06/08 05:12
by Maedeh
Questions about functionalsAleksey03202019/06/06 20:57
by Aleksey
Some Suggestions about new versionReza14162019/05/30 05:57
by Po-Hao Chang
Installation of OpenMX in IUAC cluster server Vicky144212019/05/30 02:54
by Naoya Yamaguchi
Cell optimization with Krylov subspace methodPavel Ondračka02522019/05/28 20:18
by Pavel Ondračka
GGA+Ureza02832019/05/23 18:45
by reza
convergence for ESM calculation with on4 in HfO2Z Jiang02942019/05/18 06:40
by Z Jiang
Zeeman term in the OpenMx is not working!Santu Baidya33522019/05/15 11:23
by Santu Baidya
Memory ConsumptionReza32852019/05/03 02:42
by Reza
SCFOUT Error - Hamiltonian incorrectly saved for MD.Type OptJ. Chapman114832019/04/04 01:29
by J. Chapman
The problem of RF constrained optimization with patch 3.8.4 and 3.8.5Alisa43532019/03/27 00:40
by Naoya Yamaguchi
installation errorHaider Abbas54372019/03/15 05:12
by Naoya Yamaguchi
Error occurs when NEB calculation runs with DFT-D3Kunihiro Yananose23712019/03/05 13:57
by Kunihiro Yananose
Graphene Band CalculationsLovleen Kaur59142019/02/09 03:21
by Naoya Yamaguchi
How to apply periodic boundary conditionssanjeev45502019/02/08 23:03
by Kylin
JRCAT 244p and JAIST 2122pJ. Chapman13972019/01/29 19:15
by Naoya Yamaguchi
NEGF for a thin filmSachin03782018/12/26 23:49
by Sachin
negf optimizationmath03032018/12/26 18:25
by math
Anomalies in bandstructure of NdAlO3Aleksey13932018/12/18 08:46
by Aleksey
Controlling SOC strengthjhong66812018/11/27 15:09
by jhong
The output file is not updatedxuemei02872018/11/26 10:38
by xuemei
The problems of constrained optimization with EFxm44792018/11/20 23:23
by xm
The problem about NEGF calculationWeiqi Li45022018/11/08 17:03
by Weiqi Li
PAO questionWeiqi Li14112018/11/07 18:22
by Weiqi Li

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