|
List of Threads |
|
Topics |
Author |
Replies |
Views |
Last Modified |
 | From Administrator | Taisuke Ozaki | 0 | 1367 | 2021/04/07 21:20
by Taisuke Ozaki |
|---|
 | How to compute the retarded green function with the non-orthogonal-basis Hamiltonian | Kieran | 1 | 31 | 2025/03/11 22:13
by T. Ozaki |
|---|
| OpenMX installation (library in cluster machine) | Amal | 8 | 58 | 2025/03/03 19:39
by Amal |
|---|
| Install openMX3.9 on Ubuntu24 | Roya | 1 | 28 | 2025/03/03 13:54
by Naoya Yamaguchi |
|---|
| How to use BoltzTrap2 interface with OpenMx | Dr Santu | 1 | 39 | 2025/02/28 19:44
by Masanobu Miyata |
|---|
| Help with Spin-Resolved Band Structure in Non-Collinear Case | Md Aktar Hossain | 1 | 36 | 2025/02/27 21:54
by Naoya Yamaguchi |
|---|
| order on oprbitals in the density matrix | Lokamani | 1 | 28 | 2025/02/18 13:54
by Lokamani |
|---|
| Problem with Pseudopotential Creation for F Atom containing 1s orbital in ADPACK | Enomoto | 4 | 57 | 2025/02/10 08:58
by Enomoto |
|---|
| How to use Mulliken charging data? | dena | 2 | 35 | 2025/02/09 02:14
by dena |
|---|
| Glycine optimization | dena | 8 | 78 | 2025/02/07 14:44
by dena |
|---|
| Calculation of XPS absolute BE on surface slab | Harry | 4 | 80 | 2025/02/06 17:58
by Harry |
|---|
| OpenMX4 | Kelvin A | 2 | 358 | 2025/02/04 15:15
by W. X. Ji |
|---|
| Problem in optimizing the absorption | atefeh | 8 | 97 | 2025/02/03 16:48
by atefeh |
|---|
| How to use?؛Automatic determination of the cell size؛ | dena | 2 | 36 | 2025/02/03 15:39
by dena |
|---|
| Clarification on PAO Basis Suffixes, Range of Basis Set Choices, and Recommendations for Magnetic Ex | shiyc | 1 | 91 | 2025/01/30 21:39
by T. Ozaki |
|---|
| Unreasonable exchange coupling parameters (Jij) for bcc Fe with increasing Kgrids obtained by jx | Guangzong Xing | 2 | 55 | 2025/01/30 21:27
by T. Ozaki |
|---|
| Setting time period in Nose-Hoover thermostat method during MD | Vipin Kumar | 1 | 35 | 2025/01/30 21:24
by T. Ozaki |
|---|
| Openmx3.9 installation error with intel oneapi 2025 version | SANTU BAIDYA | 2 | 41 | 2025/01/30 15:05
by SANTU BAIDYA |
|---|
| Problem in installation openmx 3.9 | EOM HUIYONG | 2 | 41 | 2025/01/29 20:04
by SANTU BAIDYA |
|---|
| MPI problem | Md Aktar Hossain | 7 | 114 | 2025/01/23 17:34
by Md Aktar Hossain |
|---|
| Can calculations in OpenMX be performed in the water phase? | atefeh | 0 | 41 | 2025/01/19 05:01
by atefeh |
|---|
| Reason for changing the structure after run | atefeh | 0 | 31 | 2025/01/19 04:59
by atefeh |
|---|
| Unfolding in openmx | Md Aktar Hossain | 1 | 88 | 2025/01/18 17:26
by Naoya Yamaguchi |
|---|
| optical in negative energy range | Debo Hao | 6 | 116 | 2025/01/07 16:24
by Debo Hao |
|---|
| Mulliken population analysis_overlap matrix in openmx | Amina | 3 | 130 | 2024/12/31 21:42
by Naoya Yamaguchi |
|---|
| Installation problem in Ubuntu 24.04.1 LTS | Md Aktar Hoosain | 6 | 139 | 2024/12/29 00:42
by Md Aktar Hoosain |
|---|
| MD convergence bilayer | Lillian | 8 | 143 | 2024/12/17 20:38
by Lillian |
|---|
| Results of Mulliken populations from different of EigenvalueSolver, Band and Cluster. | Soichiro Kikuchi | 13 | 150 | 2024/12/14 13:54
by Naoya Yamaguchi |
|---|
| How to enhance the symmetry constraints? | shiyc | 6 | 133 | 2024/12/13 20:20
by shiyc |
|---|
| kSpin(GridCalc) example gives incorrect spin texture | Soichiro Kikuchi | 6 | 162 | 2024/11/29 01:16
by Soichiro Kikuchi |
|---|
| energy matrix density | Carolina Gómez | 0 | 69 | 2024/11/28 21:48
by Carolina Gómez |
|---|
| Pseudopotential for Rare earth element, Yb. | LINGZHI ZHANG | 0 | 93 | 2024/11/28 11:48
by LINGZHI ZHANG |
|---|
| cross-density of state in energy | Carolina Gómez | 0 | 97 | 2024/11/14 04:25
by Carolina Gómez |
|---|
| OpenMX parallelization | Jose | 1 | 118 | 2024/11/13 19:08
by Naoya Yamaguchi |
|---|
| Extract the spin data for input Wannier90 | Jack Turner | 1 | 121 | 2024/11/12 12:58
by Naoya Yamaguchi |
|---|
| Electric polarization of BiFeO3 (procedure in obtaining net polarization) | Amran Yatmeidhy | 5 | 146 | 2024/11/01 21:56
by Naoya Yamaguchi |
|---|
| How to contribute a pseudopotential to the database? | Malone | 0 | 94 | 2024/10/30 00:01
by Malone |
|---|
| Memory allocation and optimal input settings when running calculations for large systems | Beniam | 1 | 97 | 2024/10/29 23:42
by Beniam |
|---|
| Make error OpenMX3.9.9 on Intel(R) Xeon(R) Silver , have gcc , gfortran, intel-MKL | yanyi | 13 | 214 | 2024/10/29 10:37
by yanyi |
|---|
| Is it possible for the "2s" energy level to be higher than "3s" energy level? | LZX | 0 | 84 | 2024/10/21 15:05
by LZX |
|---|
| How can I get the orbital information? | LZX | 0 | 101 | 2024/10/18 16:01
by LZX |
|---|
| Decoding Connectivity map | AK | 0 | 105 | 2024/10/17 10:53
by AK |
|---|
| How to get total energy from Hamiltonian？ | LZQ | 0 | 112 | 2024/10/15 17:53
by LZQ |
|---|
| Compile error OpenMX3.9.9 on intel core i5, Debian 12 with gcc , gfortran, intel-MKL | Tsutomu Hoshino | 2 | 137 | 2024/10/05 13:58
by Tsutomu Hoshino |
|---|
| Ballistic transport calculation | Laura | 0 | 110 | 2024/10/04 16:43
by Laura |
|---|
| error install openmx3.9 ubuntu 20.4 | atefeh | 1 | 179 | 2024/10/03 17:43
by Tsutomu Hoshino |
|---|
| xas calculation | takahisa ishiyama | 0 | 112 | 2024/10/03 09:41
by takahisa ishiyama |
|---|
| ab initio molecular dynamics simulation for structural stability | Vipin Kumar | 0 | 118 | 2024/09/24 12:07
by Vipin Kumar |
|---|
| Eu Pseudopotential Problem | Ondrej Faiman | 1 | 155 | 2024/09/17 09:53
by Hiroyuki Kawai |
|---|
| Installation the GPU version of openmx | LZQ | 1 | 198 | 2024/09/17 09:30
by Hiroyuki Kawai |
|---|
Locked Thread
Alarm（More than 900 replies）