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List of Threads Topics Author Replies Views Last Modified From Administrator Taisuke Ozaki 0 752 2021/04/07 21:20 by Taisuke Ozaki convergence in electric field maedeh 1 15 2023/01/30 20:34 by Yung-Ting Lee error in OpenMX3.9 installation Mehdi Vejdanihemmat 1 16 2023/01/27 19:48 by Mehdi Vejdanihemmat Phonon calculations Mehdi Vejdanihemmat 11 180 2023/01/27 01:12 by Mehdi Vejdanihemmat rashba effect maedeh 0 14 2023/01/22 23:15 by maedeh cubic-diamond Ge band structure issue Marc Tunica 2 57 2023/01/12 23:01 by Marc Tunica error:mpirun noticed that process rank 11 with PID 0 on node node01 exited on signal 8 LinTzuChing 4 81 2022/12/31 22:49 by LinTzuChing Sum_PDOS Lina 2 56 2022/12/23 22:26 by Lina Empty ".unfold_orb" file Shishir Kumar Pandey 3 49 2022/12/22 14:00 by Shishir Kumar Pandey Activation energy of electrolyte Mehdi Vejdanihemmat 2 63 2022/12/21 06:18 by Mehdi Vejdanihemmat Numerical errors of the total energy Naoki Uemura 1 45 2022/12/16 13:53 by Naoki Uemura about the optical calculations in OpenMX3.9 Jian Zhou 2 75 2022/12/16 10:55 by Jian Zhou Problem with NEGF calculation Hemant Arora 0 43 2022/12/14 02:40 by Hemant Arora Error comes up when compiling openmx3.9 Cosmo 14 115 2022/12/12 20:59 by Xinliang Huang Non convergence in SOC calculation Xinliang Huang 5 79 2022/12/12 19:25 by Xinliang Huang formation energy maedeh 1 45 2022/12/11 22:20 by T. Ozaki LSDA-PBE and SOC calculations maedeh 3 62 2022/12/09 17:43 by T. Ozaki Band gap and DFT-D3 Vicky 2 66 2022/12/07 10:49 by Vicky magnetic field maedeh 2 75 2022/12/05 23:19 by maedeh Description of keywords in DFT-D3 Masanobu Miyata 6 92 2022/12/02 22:09 by Masanobu Miyata NEB convergence Mehdi Vejdanihemmat 2 55 2022/12/01 23:15 by Mehdi Vejdanihemmat About calculating bulk system with coulomb cutoff method Tsubasa Hase 3 163 2022/12/01 18:10 by T. Ozaki NEB restart Mehdi Vejdanihemmat 3 76 2022/12/01 17:50 by T. Ozaki What does the values of first couple of lines of band structure file represent? MD NILOY KHAN 1 67 2022/11/21 04:11 by Naoya Yamaguchi Compile OpenMX v3.9.9 in windows using Msys2 or Mingw-w64 Kylin 0 54 2022/11/18 12:26 by Kylin Change direction of transmission in negf file Zeinab.mrd 5 96 2022/11/12 21:59 by zeinab.mrd NEGF runtest Mehdi Vejdanihemmat 3 113 2022/11/12 00:03 by Mehdi Vejdanihemmat Interface with BoltzTraP Wiwik 12 180 2022/11/11 15:22 by Wiwik kSpin in 3.9.9 Naoya Yamaguchi 1 101 2022/11/11 11:42 by T. Ozaki Ghost states_band structure Amina 12 230 2022/11/11 11:14 by T. Ozaki Installation openmx3.9 error: with Ubuntu 22 + ifort 2020 Shahram 4 105 2022/11/10 03:04 by Shahram shift in Kohn-Sham potential while calculating work function Rishabh Sharma 2 109 2022/11/08 21:43 by Rishabh Sharma Band unfolding of heterojunction Xinliang Huang 1 84 2022/11/08 13:25 by Chi-Cheng Lee core dumped in the exchange coupling calculation (Jx) for cluster system HEMANT ARORA 3 110 2022/11/01 23:42 by T. Ozaki Bandstructure within energy range Anshu Gaur 1 86 2022/11/01 23:37 by T. Ozaki Finished: Mentainance of the OpenMX website T. Ozaki 0 86 2022/10/31 01:15 by T. Ozaki Error in MLWF calculated :rejected Adantion 2 173 2022/10/21 13:54 by Adantion About Fermi level and magnetic moment in MnBi2Te4 ooteki 4 133 2022/10/21 13:04 by Oo Teki How can I calculate the whole band dispersion in the Brillouin zone? Junyoung 8 121 2022/10/20 16:45 by Junyoung Point group of a k-point Alireza Baradaran 1 101 2022/10/20 14:59 by T. Ozaki How to find interaction energy in result with using DFT-D3 method Adantion 1 94 2022/10/20 14:57 by T. Ozaki Z2 invariant calculation Alireza Baradaran 5 142 2022/10/19 15:10 by Naoya Yamaguchi DOS Gaussian smearing Michele Amato 2 106 2022/10/13 01:00 by Michele Amato error in visualize the STM image by WSxM 4.0 Beta 9.3 and WSxM 5.0 Develop 10.2 zeinab.mrd 2 223 2022/10/06 15:32 by Rishabh Sharma Survey on the use of simulation codes T. Ozaki 0 119 2022/09/27 09:23 by T. Ozaki Any plans on OpenMX 4.0? Weixiao Ji 2 201 2022/09/21 09:59 by Weixiao Ji Type mismatch error at line 985 while installing 'makefile' of openmx3.8 with Kali linux terminal MD NILOY KHAN 5 107 2022/09/20 16:37 by Naoya Yamaguchi Sizes of Hamiltonian and Overlap matrices in OpenMX Wenfei 5 189 2022/09/15 18:38 by T. Ozaki Non-Collinear DFT Euler Angles Max Fusté Costa 2 118 2022/09/14 22:51 by T. Ozaki How to calculate Local DOS (not PDOS) IK 2 161 2022/09/14 22:47 by T. Ozaki

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