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Topics Author Replies Views Last Modified
kSpin state populationMalone52842023/03/08 13:21
by Naoya Yamaguchi
PDOSNima54112023/02/21 18:51
by Nima
Problems in band calculationXinliang Huang43112023/02/20 21:20
by Xinliang Huang
Calculation of accurate band gapVipin Kumar44662023/02/16 18:00
by Pavel Ondračka
Hubbard U determinationMehdi Vejdanihemmat32822023/02/14 22:48
by Mehdi Vejdanihemmat
convergence in electric fieldmaedeh53122023/02/13 23:33
by maedeh
Band structure for SnS2 including HubbardZiba Torkashvand22212023/02/06 16:08
by Ziba Torkashvand
OpenMX viewerMehdi Vejdanihemmat22762023/02/02 21:10
by Mehdi Vejdanihemmat
rashba effectmaedeh12202023/02/02 12:39
by Naoya Yamaguchi
error in OpenMX3.9 installationMehdi Vejdanihemmat13052023/01/27 19:48
by Mehdi Vejdanihemmat
cubic-diamond Ge band structure issueMarc Tunica22432023/01/12 23:01
by Marc Tunica
error:mpirun noticed that process rank 11 with PID 0 on node node01 exited on signal 8 LinTzuChing43222022/12/31 22:49
by LinTzuChing
Sum_PDOSLina22772022/12/23 22:26
by Lina
Empty ".unfold_orb" fileShishir Kumar Pandey32852022/12/22 14:00
by Shishir Kumar Pandey
Activation energy of electrolyteMehdi Vejdanihemmat22522022/12/21 06:18
by Mehdi Vejdanihemmat
Numerical errors of the total energy Naoki Uemura12192022/12/16 13:53
by Naoki Uemura
about the optical calculations in OpenMX3.9Jian Zhou23242022/12/16 10:55
by Jian Zhou
Problem with NEGF calculation Hemant Arora02332022/12/14 02:40
by Hemant Arora
Error comes up when compiling openmx3.9Cosmo143082022/12/12 20:59
by Xinliang Huang
Non convergence in SOC calculationXinliang Huang52722022/12/12 19:25
by Xinliang Huang
formation energymaedeh12552022/12/11 22:20
by T. Ozaki
LSDA-PBE and SOC calculationsmaedeh32682022/12/09 17:43
by T. Ozaki
Band gap and DFT-D3Vicky23032022/12/07 10:49
by Vicky
magnetic fieldmaedeh23072022/12/05 23:19
by maedeh
Description of keywords in DFT-D3Masanobu Miyata63242022/12/02 22:09
by Masanobu Miyata
NEB convergenceMehdi Vejdanihemmat22422022/12/01 23:15
by Mehdi Vejdanihemmat
About calculating bulk system with coulomb cutoff methodTsubasa Hase33642022/12/01 18:10
by T. Ozaki
NEB restartMehdi Vejdanihemmat32312022/12/01 17:50
by T. Ozaki
What does the values of first couple of lines of band structure file represent?MD NILOY KHAN12452022/11/21 04:11
by Naoya Yamaguchi
Compile OpenMX v3.9.9 in windows using Msys2 or Mingw-w64Kylin02122022/11/18 12:26
by Kylin
Change direction of transmission in negf fileZeinab.mrd52642022/11/12 21:59
by zeinab.mrd
NEGF runtestMehdi Vejdanihemmat33162022/11/12 00:03
by Mehdi Vejdanihemmat
Interface with BoltzTraPWiwik127532022/11/11 15:22
by Wiwik
kSpin in 3.9.9Naoya Yamaguchi13102022/11/11 11:42
by T. Ozaki
Ghost states_band structureAmina124432022/11/11 11:14
by T. Ozaki
Installation openmx3.9 error: with Ubuntu 22 + ifort 2020Shahram 44312022/11/10 03:04
by Shahram
shift in Kohn-Sham potential while calculating work functionRishabh Sharma22852022/11/08 21:43
by Rishabh Sharma
Band unfolding of heterojunctionXinliang Huang12842022/11/08 13:25
by Chi-Cheng Lee
core dumped in the exchange coupling calculation (Jx) for cluster systemHEMANT ARORA32872022/11/01 23:42
by T. Ozaki
Bandstructure within energy rangeAnshu Gaur12552022/11/01 23:37
by T. Ozaki
Finished: Mentainance of the OpenMX websiteT. Ozaki02282022/10/31 01:15
by T. Ozaki
Error in MLWF calculated :rejectedAdantion24032022/10/21 13:54
by Adantion
About Fermi level and magnetic moment in MnBi2Te4ooteki43872022/10/21 13:04
by Oo Teki
How can I calculate the whole band dispersion in the Brillouin zone?Junyoung83032022/10/20 16:45
by Junyoung
Point group of a k-pointAlireza Baradaran12662022/10/20 14:59
by T. Ozaki
How to find interaction energy in result with using DFT-D3 methodAdantion12722022/10/20 14:57
by T. Ozaki
Z2 invariant calculationAlireza Baradaran53542022/10/19 15:10
by Naoya Yamaguchi
DOS Gaussian smearing Michele Amato23022022/10/13 01:00
by Michele Amato
Survey on the use of simulation codesT. Ozaki02832022/09/27 09:23
by T. Ozaki
Any plans on OpenMX 4.0?Weixiao Ji24602022/09/21 09:59
by Weixiao Ji

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