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From AdministratorTaisuke Ozaki011652021/04/07 21:20
by Taisuke Ozaki
error install openmx3.9 ubuntu 20.4atefeh052024/07/12 18:24
by atefeh
BSSE calculationAmina1362024/07/11 23:25
by T. Ozaki
Installation error of OpenMX 3.9 on MacA. Terasawa1262024/07/11 17:05
by T. Ozaki
OpenMX4Kelvin A1352024/07/11 17:03
by T. Ozaki
Inquiry on External Electric Field Capabilities in OpenMXYang Zhong1202024/07/11 16:57
by T. Ozaki
The polarization of semi-metallic systemanonym1152024/07/11 16:55
by T. Ozaki
Question for Sparse Calculation (position operator)Angus Hsu1112024/07/11 16:45
by T. Ozaki
Error while compiling openmx 3.9Zhang Ting1412024/07/09 10:44
by A. Terasawa
Band unfolding with rotated structuresAntonio Crepaldi0362024/06/21 00:20
by Antonio Crepaldi
Aborted in the NEGF calculation with OpenMXKieran0342024/06/18 18:29
by Kieran
error during compilation : DSO missing from command linedanial asad0432024/06/18 17:28
by danial asad
Why the KS-Hamiltonian is not Hermite?Liang Liu2522024/06/08 18:02
by Liang Liu
BoltzTraP calculationwiwik2862024/05/27 13:04
by wiwik
Optical Calculations with Spin orbit couplingVipin Kumar0572024/05/27 11:34
by Vipin Kumar
Questions about the MO in periodic boundary condition and MLWF calculationLingzhi ZHANG4782024/05/23 13:43
by Naoya Yamaguchi
CDDF Material TypeVipin Kumar1472024/05/22 23:09
by Yung-Ting Lee
Net Charge by MullikenVipin Kumar1612024/05/22 22:51
by Yung-Ting Lee
Geometry and lattice constant during MD runVipin Kumar1612024/05/18 11:25
by Yung-Ting Lee
NEB convergence , climbing imageRoozbeh Anvari0492024/05/16 10:20
by Roozbeh Anvari
SCF Calculation in the NEGF calculationKieran0572024/05/13 12:40
by Kieran
How to compute electron localization functionJoel0552024/05/13 00:46
by Joel
Segmetation faultKieran0482024/05/11 17:27
by Kieran
bandunfold for twist TMD heterostructureNeil Xu2662024/05/08 18:12
by Neil Xu
Time consumed by the NEGF method in OpenMXKieran11082024/05/06 15:01
by Kieran
Error after install patch3.9.9Arifia1642024/05/03 12:59
by Naoya Yamaguchi
Question about unit of electric field calculationCHOI1662024/05/03 12:55
by Naoya Yamaguchi
Error in constraining methodxi1972024/05/02 19:41
by Yung-Ting Lee
Construction of the system for the NEGF transport calculationKieran0472024/05/02 10:38
by Kieran
k point sampling in negf calculationKieran1662024/04/30 15:18
by Kieran
The problem of using second-order perturbation method to calculate magnetic anisotropy performancejack21192024/04/22 12:25
by jack
Struggling in performing automating running test.Maria2882024/04/15 19:28
by Maria
could read old density matrix data and continue scf as the DM.UseSaveDM inside siesta?berlin1872024/04/11 19:47
by Yung-Ting Lee
The meaning of overlap matrix position/momentum operatorLiang Liu0692024/04/11 18:16
by Liang Liu
Energy vs Lattice constant: .EvsLC file not generatingVipin Kumar2752024/04/10 19:51
by Vipin Kumar
Non convergence in SOC and PBE+U calculationTong Zhao21552024/04/08 23:03
by Tong Zhao
inconsistent OpenMX and VASP band structures Eric01212024/04/05 22:13
by Eric
Physical meaning of positive and negative net chargeVipin Kumar51372024/04/01 13:16
by Vipin Kumar
installation problem of OpenMX3.9 and patch3.9.9 in Ubuntu 22.04Koudzo101552024/03/29 21:22
by Hiroyuki Kawai
Error in running openmxJays11522024/03/29 12:16
by Jays
Error in undefined reference to `ompi_mpi_comm_null'Jaysen Brian S.21572024/03/29 10:41
by Jaysen Brian S.
electron-hole Columb matrixEric0692024/03/27 10:43
by Eric
Dynamical Matrix for the Thermal PropertyKieran61692024/02/20 00:49
by Kieran
Can someone in London UK install OpenMX on my MacBookPro?Luca Turin01172024/02/05 23:51
by Luca Turin
NEGF Example Error  in step 1jangwonjin11122024/02/03 15:16
by Naoya Yamaguchi
About the imaginary part of the optical conductivityYe Zhang41782024/02/01 01:49
by Ye Zhang
UBUNTU 22.04.3 LTS openmx 3.9 install issueAHN JINWOO63942024/01/25 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.mrd46462024/01/18 22:07
by wkq
installation problem in Ubuntulee11412024/01/15 14:36
by lee
install problemsIr31552024/01/04 01:56
by Naoya Yamaguchi

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