OpenMX Forum
New Thread | Return Home | Mailing List | Points of Concern | Search | Past Log | Administration    

List of Threads

Topics Author Replies Views Last Modified
From AdministratorTaisuke Ozaki07952021/04/07 21:20
by Taisuke Ozaki
Off-diagonal part of the Kohn-Sham potentialHiroaki Tanaka192023/03/26 05:03
by Naoya Yamaguchi
kSpin state populationMalone5652023/03/08 13:21
by Naoya Yamaguchi
Inconsistency between band structure and DOS of pure and doped caseVipin Kumar0242023/03/05 09:57
by Vipin Kumar
Spin splitting with DFT+U methodVipin Kumar0312023/03/04 08:36
by Vipin Kumar
DFT+U convergence problemVipin Kumar0462023/03/01 09:53
by Vipin Kumar
How to calculate  the bands only near the Fermi level?wxkao0302023/02/27 23:56
by wxkao
The value of "NormRD" in the calculation is "non"Xinliang Huang0382023/02/23 02:17
by Xinliang Huang
PDOSNima5842023/02/21 18:51
by Nima
Problems in band calculationXinliang Huang4702023/02/20 21:20
by Xinliang Huang
Calculation of accurate band gapVipin Kumar4902023/02/16 18:00
by Pavel Ondračka
Hubbard U determinationMehdi Vejdanihemmat3742023/02/14 22:48
by Mehdi Vejdanihemmat
Error reported in the slab model of the large systemXinliang Huang0482023/02/14 05:02
by Xinliang Huang
how to calculate the fermi energymaedeh0392023/02/14 00:00
by maedeh
convergence in electric fieldmaedeh5922023/02/13 23:33
by maedeh
Band structure for SnS2 including HubbardZiba Torkashvand2662023/02/06 16:08
by Ziba Torkashvand
OpenMX viewerMehdi Vejdanihemmat2512023/02/02 21:10
by Mehdi Vejdanihemmat
rashba effectmaedeh1602023/02/02 12:39
by Naoya Yamaguchi
error in OpenMX3.9 installationMehdi Vejdanihemmat1452023/01/27 19:48
by Mehdi Vejdanihemmat
Phonon calculationsMehdi Vejdanihemmat112312023/01/27 01:12
by Mehdi Vejdanihemmat
cubic-diamond Ge band structure issueMarc Tunica2852023/01/12 23:01
by Marc Tunica
error:mpirun noticed that process rank 11 with PID 0 on node node01 exited on signal 8 LinTzuChing41092022/12/31 22:49
by LinTzuChing
Sum_PDOSLina2922022/12/23 22:26
by Lina
Empty ".unfold_orb" fileShishir Kumar Pandey3732022/12/22 14:00
by Shishir Kumar Pandey
Activation energy of electrolyteMehdi Vejdanihemmat2882022/12/21 06:18
by Mehdi Vejdanihemmat
Numerical errors of the total energy Naoki Uemura1682022/12/16 13:53
by Naoki Uemura
about the optical calculations in OpenMX3.9Jian Zhou21072022/12/16 10:55
by Jian Zhou
Problem with NEGF calculation Hemant Arora0802022/12/14 02:40
by Hemant Arora
Error comes up when compiling openmx3.9Cosmo141482022/12/12 20:59
by Xinliang Huang
Non convergence in SOC calculationXinliang Huang51062022/12/12 19:25
by Xinliang Huang
formation energymaedeh1792022/12/11 22:20
by T. Ozaki
LSDA-PBE and SOC calculationsmaedeh3932022/12/09 17:43
by T. Ozaki
Band gap and DFT-D3Vicky2982022/12/07 10:49
by Vicky
magnetic fieldmaedeh2982022/12/05 23:19
by maedeh
Description of keywords in DFT-D3Masanobu Miyata61212022/12/02 22:09
by Masanobu Miyata
NEB convergenceMehdi Vejdanihemmat2802022/12/01 23:15
by Mehdi Vejdanihemmat
About calculating bulk system with coulomb cutoff methodTsubasa Hase31942022/12/01 18:10
by T. Ozaki
NEB restartMehdi Vejdanihemmat3972022/12/01 17:50
by T. Ozaki
What does the values of first couple of lines of band structure file represent?MD NILOY KHAN1902022/11/21 04:11
by Naoya Yamaguchi
Compile OpenMX v3.9.9 in windows using Msys2 or Mingw-w64Kylin0762022/11/18 12:26
by Kylin
Change direction of transmission in negf fileZeinab.mrd51202022/11/12 21:59
by zeinab.mrd
NEGF runtestMehdi Vejdanihemmat31382022/11/12 00:03
by Mehdi Vejdanihemmat
Interface with BoltzTraPWiwik122262022/11/11 15:22
by Wiwik
kSpin in 3.9.9Naoya Yamaguchi11412022/11/11 11:42
by T. Ozaki
Ghost states_band structureAmina122672022/11/11 11:14
by T. Ozaki
Installation openmx3.9 error: with Ubuntu 22 + ifort 2020Shahram 41792022/11/10 03:04
by Shahram
shift in Kohn-Sham potential while calculating work functionRishabh Sharma21362022/11/08 21:43
by Rishabh Sharma
Band unfolding of heterojunctionXinliang Huang11132022/11/08 13:25
by Chi-Cheng Lee
core dumped in the exchange coupling calculation (Jx) for cluster systemHEMANT ARORA31332022/11/01 23:42
by T. Ozaki
Bandstructure within energy rangeAnshu Gaur11092022/11/01 23:37
by T. Ozaki

Page: [1] [2] [3] [4] [5] [6] [7] [8] [9] [10] [11] [12] [13] [14] [15] [16] [17] [18] [19] [20] [21] [22] [23] [24] [25] [26] [27] [28]

Open Thread    Locked Thread    Alarm(More than 900 replies)   Message from Administrator

- Web Patio -