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Topics Author Replies Views Last Modified
Calculation of accurate band gapVipin Kumar48652023/02/16 18:00
by Pavel Ondračka
Hubbard U determinationMehdi Vejdanihemmat34242023/02/14 22:48
by Mehdi Vejdanihemmat
convergence in electric fieldmaedeh55212023/02/13 23:33
by maedeh
Band structure for SnS2 including HubbardZiba Torkashvand24022023/02/06 16:08
by Ziba Torkashvand
OpenMX viewerMehdi Vejdanihemmat24302023/02/02 21:10
by Mehdi Vejdanihemmat
rashba effectmaedeh13642023/02/02 12:39
by Naoya Yamaguchi
error in OpenMX3.9 installationMehdi Vejdanihemmat14552023/01/27 19:48
by Mehdi Vejdanihemmat
cubic-diamond Ge band structure issueMarc Tunica23992023/01/12 23:01
by Marc Tunica
error:mpirun noticed that process rank 11 with PID 0 on node node01 exited on signal 8 LinTzuChing45782022/12/31 22:49
by LinTzuChing
Sum_PDOSLina24592022/12/23 22:26
by Lina
Empty ".unfold_orb" fileShishir Kumar Pandey34462022/12/22 14:00
by Shishir Kumar Pandey
Activation energy of electrolyteMehdi Vejdanihemmat23922022/12/21 06:18
by Mehdi Vejdanihemmat
Numerical errors of the total energy Naoki Uemura13392022/12/16 13:53
by Naoki Uemura
about the optical calculations in OpenMX3.9Jian Zhou25182022/12/16 10:55
by Jian Zhou
Problem with NEGF calculation Hemant Arora03692022/12/14 02:40
by Hemant Arora
Error comes up when compiling openmx3.9Cosmo145812022/12/12 20:59
by Xinliang Huang
Non convergence in SOC calculationXinliang Huang55302022/12/12 19:25
by Xinliang Huang
formation energymaedeh14272022/12/11 22:20
by T. Ozaki
LSDA-PBE and SOC calculationsmaedeh34022022/12/09 17:43
by T. Ozaki
Band gap and DFT-D3Vicky25672022/12/07 10:49
by Vicky
magnetic fieldmaedeh24452022/12/05 23:19
by maedeh
Description of keywords in DFT-D3Masanobu Miyata65282022/12/02 22:09
by Masanobu Miyata
NEB convergenceMehdi Vejdanihemmat23742022/12/01 23:15
by Mehdi Vejdanihemmat
About calculating bulk system with coulomb cutoff methodTsubasa Hase35352022/12/01 18:10
by T. Ozaki
NEB restartMehdi Vejdanihemmat33652022/12/01 17:50
by T. Ozaki
What does the values of first couple of lines of band structure file represent?MD NILOY KHAN13872022/11/21 04:11
by Naoya Yamaguchi
Compile OpenMX v3.9.9 in windows using Msys2 or Mingw-w64Kylin03392022/11/18 12:26
by Kylin
Change direction of transmission in negf fileZeinab.mrd54042022/11/12 21:59
by zeinab.mrd
NEGF runtestMehdi Vejdanihemmat34602022/11/12 00:03
by Mehdi Vejdanihemmat
Interface with BoltzTraPWiwik1213432022/11/11 15:22
by Wiwik
kSpin in 3.9.9Naoya Yamaguchi14712022/11/11 11:42
by T. Ozaki
Ghost states_band structureAmina125902022/11/11 11:14
by T. Ozaki
Installation openmx3.9 error: with Ubuntu 22 + ifort 2020Shahram 46822022/11/10 03:04
by Shahram
shift in Kohn-Sham potential while calculating work functionRishabh Sharma24282022/11/08 21:43
by Rishabh Sharma
Band unfolding of heterojunctionXinliang Huang15162022/11/08 13:25
by Chi-Cheng Lee
core dumped in the exchange coupling calculation (Jx) for cluster systemHEMANT ARORA34472022/11/01 23:42
by T. Ozaki
Bandstructure within energy rangeAnshu Gaur13862022/11/01 23:37
by T. Ozaki
Finished: Mentainance of the OpenMX websiteT. Ozaki03542022/10/31 01:15
by T. Ozaki
Error in MLWF calculated :rejectedAdantion25882022/10/21 13:54
by Adantion
About Fermi level and magnetic moment in MnBi2Te4ooteki46602022/10/21 13:04
by Oo Teki
How can I calculate the whole band dispersion in the Brillouin zone?Junyoung84442022/10/20 16:45
by Junyoung
Point group of a k-pointAlireza Baradaran13942022/10/20 14:59
by T. Ozaki
How to find interaction energy in result with using DFT-D3 methodAdantion13912022/10/20 14:57
by T. Ozaki
Z2 invariant calculationAlireza Baradaran55982022/10/19 15:10
by Naoya Yamaguchi
DOS Gaussian smearing Michele Amato25182022/10/13 01:00
by Michele Amato
Survey on the use of simulation codesT. Ozaki04312022/09/27 09:23
by T. Ozaki
Any plans on OpenMX 4.0?Weixiao Ji26462022/09/21 09:59
by Weixiao Ji
Type mismatch error at line 985 while installing 'makefile' of openmx3.8 with Kali linux terminalMD NILOY KHAN54832022/09/20 16:37
by Naoya Yamaguchi
Sizes of Hamiltonian and Overlap matrices in OpenMXWenfei56892022/09/15 18:38
by T. Ozaki
Non-Collinear DFT Euler AnglesMax Fusté Costa24242022/09/14 22:51
by T. Ozaki

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