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Topics Author Replies Views Last Modified
BSSE calculationAmina23972024/07/16 16:59
by Amina
Band unfolding: restart?Antonio Crepaldi03192024/07/16 16:04
by Antonio Crepaldi
Installation error of OpenMX 3.9 on MacA. Terasawa14892024/07/11 17:05
by T. Ozaki
Inquiry on External Electric Field Capabilities in OpenMXYang Zhong14972024/07/11 16:57
by T. Ozaki
Question for Sparse Calculation (position operator)Angus Hsu14172024/07/11 16:45
by T. Ozaki
Error while compiling openmx 3.9Zhang Ting14292024/07/09 10:44
by A. Terasawa
Band unfolding with rotated structuresAntonio Crepaldi03682024/06/21 00:20
by Antonio Crepaldi
Aborted in the NEGF calculation with OpenMXKieran03772024/06/18 18:29
by Kieran
error during compilation : DSO missing from command linedanial asad04402024/06/18 17:28
by danial asad
Why the KS-Hamiltonian is not Hermite?Liang Liu23752024/06/08 18:02
by Liang Liu
BoltzTraP calculationwiwik25032024/05/27 13:04
by wiwik
Optical Calculations with Spin orbit couplingVipin Kumar04372024/05/27 11:34
by Vipin Kumar
Questions about the MO in periodic boundary condition and MLWF calculationLingzhi ZHANG44352024/05/23 13:43
by Naoya Yamaguchi
CDDF Material TypeVipin Kumar13812024/05/22 23:09
by Yung-Ting Lee
Net Charge by MullikenVipin Kumar14282024/05/22 22:51
by Yung-Ting Lee
Geometry and lattice constant during MD runVipin Kumar112992024/05/18 11:25
by Yung-Ting Lee
NEB convergence , climbing imageRoozbeh Anvari04422024/05/16 10:20
by Roozbeh Anvari
SCF Calculation in the NEGF calculationKieran03722024/05/13 12:40
by Kieran
How to compute electron localization functionJoel03662024/05/13 00:46
by Joel
Segmetation faultKieran04552024/05/11 17:27
by Kieran
bandunfold for twist TMD heterostructureNeil Xu23842024/05/08 18:12
by Neil Xu
Time consumed by the NEGF method in OpenMXKieran14582024/05/06 15:01
by Kieran
Error after install patch3.9.9Arifia13942024/05/03 12:59
by Naoya Yamaguchi
Question about unit of electric field calculationCHOI14932024/05/03 12:55
by Naoya Yamaguchi
Error in constraining methodxi14012024/05/02 19:41
by Yung-Ting Lee
Construction of the system for the NEGF transport calculationKieran03752024/05/02 10:38
by Kieran
k point sampling in negf calculationKieran13682024/04/30 15:18
by Kieran
The problem of using second-order perturbation method to calculate magnetic anisotropy performancejack24272024/04/22 12:25
by jack
Struggling in performing automating running test.Maria23942024/04/15 19:28
by Maria
The meaning of overlap matrix position/momentum operatorLiang Liu04362024/04/11 18:16
by Liang Liu
Energy vs Lattice constant: .EvsLC file not generatingVipin Kumar23352024/04/10 19:51
by Vipin Kumar
Non convergence in SOC and PBE+U calculationTong Zhao26482024/04/08 23:03
by Tong Zhao
inconsistent OpenMX and VASP band structures Eric04552024/04/05 22:13
by Eric
Physical meaning of positive and negative net chargeVipin Kumar54802024/04/01 13:16
by Vipin Kumar
installation problem of OpenMX3.9 and patch3.9.9 in Ubuntu 22.04Koudzo107332024/03/29 21:22
by Hiroyuki Kawai
Error in running openmxJays17352024/03/29 12:16
by Jays
Error in undefined reference to `ompi_mpi_comm_null'Jaysen Brian S.213022024/03/29 10:41
by Jaysen Brian S.
electron-hole Columb matrixEric03262024/03/27 10:43
by Eric
Dynamical Matrix for the Thermal PropertyKieran66102024/02/20 00:49
by Kieran
Can someone in London UK install OpenMX on my MacBookPro?Luca Turin03992024/02/05 23:51
by Luca Turin
NEGF Example Error  in step 1jangwonjin13982024/02/03 15:16
by Naoya Yamaguchi
About the imaginary part of the optical conductivityYe Zhang417522024/02/01 01:49
by Ye Zhang
UBUNTU 22.04.3 LTS openmx 3.9 install issueAHN JINWOO618672024/01/25 20:43
by Naoya Yamaguchi
error in visualize the STM image by WSxM 4.0 Beta 9.3 and WSxM 5.0 Develop 10.2zeinab.mrd412372024/01/18 22:07
by wkq
installation problem in Ubuntulee14242024/01/15 14:36
by lee
install problemsIr34702024/01/04 01:56
by Naoya Yamaguchi
Error in NEGF lead calculationP. Li04672023/12/20 17:50
by P. Li
Calculating exchange coupling using JxYaoShunWei04482023/12/16 21:05
by YaoShunWei
About charge dopingYSW04012023/12/14 19:33
by YSW
question geometry optimization doped siliconMarc04512023/12/11 19:34
by Marc

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