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Topics Author Replies Views Last Modified
Installation the GPU version of openmxLZQ12032024/09/17 09:30
by Hiroyuki Kawai
TB2J vs JxOF01662024/09/13 23:10
by OF
How to find the "fermi level"?LZX11202024/09/13 18:55
by Naoya Yamaguchi
How to find the total energy after the structure relaxationKieran31222024/09/13 03:05
by Naoya Yamaguchi
How to extract overlap only?LZX01432024/09/05 13:41
by LZX
[BUG REPORT] NEB Image Script Error: Invalid Zero Coordinates with SCF.restart EnabledKylin01032024/09/04 15:09
by Kylin
Why the Dirac point of pristine monolayer graphene is above the Fermi levelKieran02482024/09/01 00:38
by Kieran
Question about reading openmx.sccfoutLZX11102024/08/30 15:01
by Naoya Yamaguchi
Band and magnetism of YIG with 80 atoms completely wrongLZQ21342024/08/20 09:31
by LZQ
OpenMX 3.9 Installation on an AlmaLinux 8.7 system with Intel oneAPI 2024.2Shunichiro Ito215492024/08/19 09:49
by Shunichiro Ito
Spin Spiral CalculationsZsolt01262024/07/30 22:02
by Zsolt
Estimation of memory usage and time consuming for one SCF loop.ZHANG LINGZHI01162024/07/29 19:26
by ZHANG LINGZHI
could read old density matrix data and continue scf as the DM.UseSaveDM inside siesta?berlin22122024/07/29 04:04
by Ripeng Luo
The polarization of semi-metallic systemanonym21512024/07/18 10:58
by anonym
Loss of symmetru with Hubbard UTimon Mosko01232024/07/17 23:44
by Timon Mosko
BSSE calculationAmina21682024/07/16 16:59
by Amina
Band unfolding: restart?Antonio Crepaldi01142024/07/16 16:04
by Antonio Crepaldi
Installation error of OpenMX 3.9 on MacA. Terasawa12032024/07/11 17:05
by T. Ozaki
Inquiry on External Electric Field Capabilities in OpenMXYang Zhong12012024/07/11 16:57
by T. Ozaki
Question for Sparse Calculation (position operator)Angus Hsu11562024/07/11 16:45
by T. Ozaki
Error while compiling openmx 3.9Zhang Ting12012024/07/09 10:44
by A. Terasawa
Band unfolding with rotated structuresAntonio Crepaldi01562024/06/21 00:20
by Antonio Crepaldi
Aborted in the NEGF calculation with OpenMXKieran01552024/06/18 18:29
by Kieran
error during compilation : DSO missing from command linedanial asad02052024/06/18 17:28
by danial asad
Why the KS-Hamiltonian is not Hermite?Liang Liu21582024/06/08 18:02
by Liang Liu
BoltzTraP calculationwiwik22362024/05/27 13:04
by wiwik
Optical Calculations with Spin orbit couplingVipin Kumar01742024/05/27 11:34
by Vipin Kumar
Questions about the MO in periodic boundary condition and MLWF calculationLingzhi ZHANG41932024/05/23 13:43
by Naoya Yamaguchi
CDDF Material TypeVipin Kumar11512024/05/22 23:09
by Yung-Ting Lee
Net Charge by MullikenVipin Kumar11862024/05/22 22:51
by Yung-Ting Lee
Geometry and lattice constant during MD runVipin Kumar110992024/05/18 11:25
by Yung-Ting Lee
NEB convergence , climbing imageRoozbeh Anvari01792024/05/16 10:20
by Roozbeh Anvari
SCF Calculation in the NEGF calculationKieran01582024/05/13 12:40
by Kieran
How to compute electron localization functionJoel01552024/05/13 00:46
by Joel
Segmetation faultKieran01942024/05/11 17:27
by Kieran
bandunfold for twist TMD heterostructureNeil Xu21742024/05/08 18:12
by Neil Xu
Time consumed by the NEGF method in OpenMXKieran12242024/05/06 15:01
by Kieran
Error after install patch3.9.9Arifia11712024/05/03 12:59
by Naoya Yamaguchi
Question about unit of electric field calculationCHOI11942024/05/03 12:55
by Naoya Yamaguchi
Error in constraining methodxi11792024/05/02 19:41
by Yung-Ting Lee
Construction of the system for the NEGF transport calculationKieran01402024/05/02 10:38
by Kieran
k point sampling in negf calculationKieran11762024/04/30 15:18
by Kieran
The problem of using second-order perturbation method to calculate magnetic anisotropy performancejack22382024/04/22 12:25
by jack
Struggling in performing automating running test.Maria21992024/04/15 19:28
by Maria
The meaning of overlap matrix position/momentum operatorLiang Liu01882024/04/11 18:16
by Liang Liu
Energy vs Lattice constant: .EvsLC file not generatingVipin Kumar21612024/04/10 19:51
by Vipin Kumar
Non convergence in SOC and PBE+U calculationTong Zhao23532024/04/08 23:03
by Tong Zhao
inconsistent OpenMX and VASP band structures Eric02542024/04/05 22:13
by Eric
Physical meaning of positive and negative net chargeVipin Kumar52572024/04/01 13:16
by Vipin Kumar
installation problem of OpenMX3.9 and patch3.9.9 in Ubuntu 22.04Koudzo103822024/03/29 21:22
by Hiroyuki Kawai

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