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From AdministratorTaisuke Ozaki011452021/04/07 21:20
by Taisuke Ozaki
Aborted in the NEGF calculation with OpenMXKieran012024/06/18 18:29
by Kieran
error during compilation : DSO missing from command linedanial asad022024/06/18 17:28
by danial asad
Why the KS-Hamiltonian is not Hermite?Liang Liu2262024/06/08 18:02
by Liang Liu
BoltzTraP calculationwiwik2682024/05/27 13:04
by wiwik
Optical Calculations with Spin orbit couplingVipin Kumar0372024/05/27 11:34
by Vipin Kumar
Questions about the MO in periodic boundary condition and MLWF calculationLingzhi ZHANG4642024/05/23 13:43
by Naoya Yamaguchi
CDDF Material TypeVipin Kumar1352024/05/22 23:09
by Yung-Ting Lee
Net Charge by MullikenVipin Kumar1432024/05/22 22:51
by Yung-Ting Lee
Geometry and lattice constant during MD runVipin Kumar1452024/05/18 11:25
by Yung-Ting Lee
NEB convergence , climbing imageRoozbeh Anvari0372024/05/16 10:20
by Roozbeh Anvari
SCF Calculation in the NEGF calculationKieran0412024/05/13 12:40
by Kieran
How to compute electron localization functionJoel0422024/05/13 00:46
by Joel
Segmetation faultKieran0352024/05/11 17:27
by Kieran
bandunfold for twist TMD heterostructureNeil Xu2522024/05/08 18:12
by Neil Xu
Time consumed by the NEGF method in OpenMXKieran1712024/05/06 15:01
by Kieran
Error after install patch3.9.9Arifia1502024/05/03 12:59
by Naoya Yamaguchi
Question about unit of electric field calculationCHOI1542024/05/03 12:55
by Naoya Yamaguchi
Error in constraining methodxi1762024/05/02 19:41
by Yung-Ting Lee
Construction of the system for the NEGF transport calculationKieran0372024/05/02 10:38
by Kieran
k point sampling in negf calculationKieran1512024/04/30 15:18
by Kieran
The problem of using second-order perturbation method to calculate magnetic anisotropy performancejack2992024/04/22 12:25
by jack
Struggling in performing automating running test.Maria2722024/04/15 19:28
by Maria
could read old density matrix data and continue scf as the DM.UseSaveDM inside siesta?berlin1752024/04/11 19:47
by Yung-Ting Lee
The meaning of overlap matrix position/momentum operatorLiang Liu0582024/04/11 18:16
by Liang Liu
Energy vs Lattice constant: .EvsLC file not generatingVipin Kumar2642024/04/10 19:51
by Vipin Kumar
Non convergence in SOC and PBE+U calculationTong Zhao21392024/04/08 23:03
by Tong Zhao
inconsistent OpenMX and VASP band structures Eric01022024/04/05 22:13
by Eric
Physical meaning of positive and negative net chargeVipin Kumar5972024/04/01 13:16
by Vipin Kumar
installation problem of OpenMX3.9 and patch3.9.9 in Ubuntu 22.04Koudzo101362024/03/29 21:22
by Hiroyuki Kawai
Error in running openmxJays11252024/03/29 12:16
by Jays
Error in undefined reference to `ompi_mpi_comm_null'Jaysen Brian S.21112024/03/29 10:41
by Jaysen Brian S.
electron-hole Columb matrixEric0562024/03/27 10:43
by Eric
Dynamical Matrix for the Thermal PropertyKieran61592024/02/20 00:49
by Kieran
Can someone in London UK install OpenMX on my MacBookPro?Luca Turin01032024/02/05 23:51
by Luca Turin
NEGF Example Error  in step 1jangwonjin1942024/02/03 15:16
by Naoya Yamaguchi
About the imaginary part of the optical conductivityYe Zhang41642024/02/01 01:49
by Ye Zhang
UBUNTU 22.04.3 LTS openmx 3.9 install issueAHN JINWOO63372024/01/25 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.mrd46182024/01/18 22:07
by wkq
installation problem in Ubuntulee11262024/01/15 14:36
by lee
install problemsIr31382024/01/04 01:56
by Naoya Yamaguchi
Error in NEGF lead calculationP. Li01262023/12/20 17:50
by P. Li
Calculating exchange coupling using JxYaoShunWei01392023/12/16 21:05
by YaoShunWei
About charge dopingYSW01082023/12/14 19:33
by YSW
question geometry optimization doped siliconMarc01172023/12/11 19:34
by Marc
How to constrain the z axis ?YaoShunWei21322023/12/11 00:33
by YaoShunWei
Zeeman effect in openmxLINGZHI ZHANG01182023/12/08 15:59
by LINGZHI ZHANG
Problem with geometry optimizationLim31752023/11/26 01:16
by Lim
ERROR: PAOs of atoms of L|C|R can overlap only to the next nearest region.Tom01192023/11/21 14:32
by Tom
convergent problem during optimization with applying electric fieldTao01222023/11/20 16:58
by Tao

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