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Topics Author Replies Views Last Modified
Off-diagonal part of the Kohn-Sham potentialHiroaki Tanaka22532023/03/30 09:41
by Hiroaki Tanaka
kSpin state populationMalone52932023/03/08 13:21
by Naoya Yamaguchi
PDOSNima54292023/02/21 18:51
by Nima
Problems in band calculationXinliang Huang43232023/02/20 21:20
by Xinliang Huang
Calculation of accurate band gapVipin Kumar44822023/02/16 18:00
by Pavel Ondračka
Hubbard U determinationMehdi Vejdanihemmat32902023/02/14 22:48
by Mehdi Vejdanihemmat
convergence in electric fieldmaedeh53252023/02/13 23:33
by maedeh
Band structure for SnS2 including HubbardZiba Torkashvand22302023/02/06 16:08
by Ziba Torkashvand
OpenMX viewerMehdi Vejdanihemmat22842023/02/02 21:10
by Mehdi Vejdanihemmat
rashba effectmaedeh12282023/02/02 12:39
by Naoya Yamaguchi
error in OpenMX3.9 installationMehdi Vejdanihemmat13132023/01/27 19:48
by Mehdi Vejdanihemmat
cubic-diamond Ge band structure issueMarc Tunica22502023/01/12 23:01
by Marc Tunica
error:mpirun noticed that process rank 11 with PID 0 on node node01 exited on signal 8 LinTzuChing43332022/12/31 22:49
by LinTzuChing
Sum_PDOSLina22912022/12/23 22:26
by Lina
Empty ".unfold_orb" fileShishir Kumar Pandey32912022/12/22 14:00
by Shishir Kumar Pandey
Activation energy of electrolyteMehdi Vejdanihemmat22652022/12/21 06:18
by Mehdi Vejdanihemmat
Numerical errors of the total energy Naoki Uemura12262022/12/16 13:53
by Naoki Uemura
about the optical calculations in OpenMX3.9Jian Zhou23362022/12/16 10:55
by Jian Zhou
Problem with NEGF calculation Hemant Arora02412022/12/14 02:40
by Hemant Arora
Error comes up when compiling openmx3.9Cosmo143152022/12/12 20:59
by Xinliang Huang
Non convergence in SOC calculationXinliang Huang52832022/12/12 19:25
by Xinliang Huang
formation energymaedeh12622022/12/11 22:20
by T. Ozaki
LSDA-PBE and SOC calculationsmaedeh32782022/12/09 17:43
by T. Ozaki
Band gap and DFT-D3Vicky23142022/12/07 10:49
by Vicky
magnetic fieldmaedeh23122022/12/05 23:19
by maedeh
Description of keywords in DFT-D3Masanobu Miyata63342022/12/02 22:09
by Masanobu Miyata
NEB convergenceMehdi Vejdanihemmat22492022/12/01 23:15
by Mehdi Vejdanihemmat
About calculating bulk system with coulomb cutoff methodTsubasa Hase33752022/12/01 18:10
by T. Ozaki
NEB restartMehdi Vejdanihemmat32382022/12/01 17:50
by T. Ozaki
What does the values of first couple of lines of band structure file represent?MD NILOY KHAN12532022/11/21 04:11
by Naoya Yamaguchi
Compile OpenMX v3.9.9 in windows using Msys2 or Mingw-w64Kylin02202022/11/18 12:26
by Kylin
Change direction of transmission in negf fileZeinab.mrd52712022/11/12 21:59
by zeinab.mrd
NEGF runtestMehdi Vejdanihemmat33252022/11/12 00:03
by Mehdi Vejdanihemmat
Interface with BoltzTraPWiwik127772022/11/11 15:22
by Wiwik
kSpin in 3.9.9Naoya Yamaguchi13192022/11/11 11:42
by T. Ozaki
Ghost states_band structureAmina124512022/11/11 11:14
by T. Ozaki
Installation openmx3.9 error: with Ubuntu 22 + ifort 2020Shahram 44442022/11/10 03:04
by Shahram
shift in Kohn-Sham potential while calculating work functionRishabh Sharma22962022/11/08 21:43
by Rishabh Sharma
Band unfolding of heterojunctionXinliang Huang12932022/11/08 13:25
by Chi-Cheng Lee
core dumped in the exchange coupling calculation (Jx) for cluster systemHEMANT ARORA32932022/11/01 23:42
by T. Ozaki
Bandstructure within energy rangeAnshu Gaur12612022/11/01 23:37
by T. Ozaki
Finished: Mentainance of the OpenMX websiteT. Ozaki02362022/10/31 01:15
by T. Ozaki
Error in MLWF calculated :rejectedAdantion24172022/10/21 13:54
by Adantion
About Fermi level and magnetic moment in MnBi2Te4ooteki43972022/10/21 13:04
by Oo Teki
How can I calculate the whole band dispersion in the Brillouin zone?Junyoung83122022/10/20 16:45
by Junyoung
Point group of a k-pointAlireza Baradaran12742022/10/20 14:59
by T. Ozaki
How to find interaction energy in result with using DFT-D3 methodAdantion12792022/10/20 14:57
by T. Ozaki
Z2 invariant calculationAlireza Baradaran53662022/10/19 15:10
by Naoya Yamaguchi
DOS Gaussian smearing Michele Amato23112022/10/13 01:00
by Michele Amato
Survey on the use of simulation codesT. Ozaki02952022/09/27 09:23
by T. Ozaki

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