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Topics Author Replies Views Last Modified
Electron Localization FunctionTomoya Naito26092023/05/14 04:25
by Tomoya Naito
Formation energy of charged defects in 2DRoozbeh Anvari25952023/05/13 06:00
by Roozbeh Anvari
Berry Phase (two dimensional system)ghina25022023/05/10 09:29
by ghina
question on the optimization of twisted graphene 3.84°Tao Zhang15132023/05/09 16:10
by Tao Zhang
jx_configImran Khan 25432023/05/09 11:34
by Imran Khan
An error occurred when the fedora linux system installed openmx:In file included from openmx.c:67: oC14732023/04/28 11:47
by Naoya Yamaguchi
Questions on vdW correctionsXinlu Li05372023/04/21 16:20
by Xinlu Li
Too many output of the cube files by mpiLingzhi Zhang25902023/04/14 23:35
by Lingzhi Zhang
Berry CurvatureMitra17492023/04/13 19:37
by Hikaru Sawahata
negative electric fieldmaedeh15682023/04/12 13:37
by T. Ozaki
Direction of magnetic field different from magnetic orderXiaoyu Liu15002023/04/12 13:35
by T. Ozaki
Inconsistency between band structure and DOS of pure and doped caseVipin Kumar15122023/04/12 13:16
by T. Ozaki
Spin splitting with DFT+U methodVipin Kumar15652023/04/12 13:02
by T. Ozaki
DFT+U convergence problemVipin Kumar16102023/04/12 12:53
by T. Ozaki
How to calculate  the bands only near the Fermi level?wxkao16502023/04/12 09:30
by T. Ozaki
The value of "NormRD" in the calculation is "non"Xinliang Huang16662023/04/12 09:22
by T. Ozaki
Error reported in the slab model of the large systemXinliang Huang15492023/04/12 09:19
by T. Ozaki
how to calculate the fermi energymaedeh17362023/04/12 09:15
by T. Ozaki
Error in constraint non-collinear DFT calculationsYi-Feng Zhao35152023/04/07 21:28
by Yi-Feng Zhao
Off-diagonal part of the Kohn-Sham potentialHiroaki Tanaka25332023/03/30 09:41
by Hiroaki Tanaka
kSpin state populationMalone55942023/03/08 13:21
by Naoya Yamaguchi
PDOSNima511252023/02/21 18:51
by Nima
Problems in band calculationXinliang Huang47102023/02/20 21:20
by Xinliang Huang
Calculation of accurate band gapVipin Kumar411452023/02/16 18:00
by Pavel Ondračka
Hubbard U determinationMehdi Vejdanihemmat35502023/02/14 22:48
by Mehdi Vejdanihemmat
convergence in electric fieldmaedeh56822023/02/13 23:33
by maedeh
Band structure for SnS2 including HubbardZiba Torkashvand25972023/02/06 16:08
by Ziba Torkashvand
OpenMX viewerMehdi Vejdanihemmat25662023/02/02 21:10
by Mehdi Vejdanihemmat
rashba effectmaedeh15082023/02/02 12:39
by Naoya Yamaguchi
error in OpenMX3.9 installationMehdi Vejdanihemmat15932023/01/27 19:48
by Mehdi Vejdanihemmat
cubic-diamond Ge band structure issueMarc Tunica25512023/01/12 23:01
by Marc Tunica
error:mpirun noticed that process rank 11 with PID 0 on node node01 exited on signal 8 LinTzuChing47552022/12/31 22:49
by LinTzuChing
Sum_PDOSLina26082022/12/23 22:26
by Lina
Empty ".unfold_orb" fileShishir Kumar Pandey35872022/12/22 14:00
by Shishir Kumar Pandey
Activation energy of electrolyteMehdi Vejdanihemmat25182022/12/21 06:18
by Mehdi Vejdanihemmat
Numerical errors of the total energy Naoki Uemura14622022/12/16 13:53
by Naoki Uemura
about the optical calculations in OpenMX3.9Jian Zhou27162022/12/16 10:55
by Jian Zhou
Problem with NEGF calculation Hemant Arora05012022/12/14 02:40
by Hemant Arora
Error comes up when compiling openmx3.9Cosmo148172022/12/12 20:59
by Xinliang Huang
Non convergence in SOC calculationXinliang Huang57452022/12/12 19:25
by Xinliang Huang
formation energymaedeh15702022/12/11 22:20
by T. Ozaki
LSDA-PBE and SOC calculationsmaedeh35372022/12/09 17:43
by T. Ozaki
Band gap and DFT-D3Vicky27882022/12/07 10:49
by Vicky
magnetic fieldmaedeh25732022/12/05 23:19
by maedeh
Description of keywords in DFT-D3Masanobu Miyata67092022/12/02 22:09
by Masanobu Miyata
NEB convergenceMehdi Vejdanihemmat25232022/12/01 23:15
by Mehdi Vejdanihemmat
About calculating bulk system with coulomb cutoff methodTsubasa Hase37122022/12/01 18:10
by T. Ozaki
NEB restartMehdi Vejdanihemmat34932022/12/01 17:50
by T. Ozaki
What does the values of first couple of lines of band structure file represent?MD NILOY KHAN15132022/11/21 04:11
by Naoya Yamaguchi
Compile OpenMX v3.9.9 in windows using Msys2 or Mingw-w64Kylin04892022/11/18 12:26
by Kylin

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