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Topics Author Replies Views Last Modified
Electron Localization FunctionTomoya Naito26072023/05/14 04:25
by Tomoya Naito
Formation energy of charged defects in 2DRoozbeh Anvari25932023/05/13 06:00
by Roozbeh Anvari
Berry Phase (two dimensional system)ghina25012023/05/10 09:29
by ghina
question on the optimization of twisted graphene 3.84°Tao Zhang15092023/05/09 16:10
by Tao Zhang
jx_configImran Khan 25402023/05/09 11:34
by Imran Khan
An error occurred when the fedora linux system installed openmx:In file included from openmx.c:67: oC14722023/04/28 11:47
by Naoya Yamaguchi
Questions on vdW correctionsXinlu Li05352023/04/21 16:20
by Xinlu Li
Too many output of the cube files by mpiLingzhi Zhang25872023/04/14 23:35
by Lingzhi Zhang
Berry CurvatureMitra17482023/04/13 19:37
by Hikaru Sawahata
negative electric fieldmaedeh15662023/04/12 13:37
by T. Ozaki
Direction of magnetic field different from magnetic orderXiaoyu Liu14972023/04/12 13:35
by T. Ozaki
Inconsistency between band structure and DOS of pure and doped caseVipin Kumar15102023/04/12 13:16
by T. Ozaki
Spin splitting with DFT+U methodVipin Kumar15612023/04/12 13:02
by T. Ozaki
DFT+U convergence problemVipin Kumar16082023/04/12 12:53
by T. Ozaki
How to calculate  the bands only near the Fermi level?wxkao16492023/04/12 09:30
by T. Ozaki
The value of "NormRD" in the calculation is "non"Xinliang Huang16642023/04/12 09:22
by T. Ozaki
Error reported in the slab model of the large systemXinliang Huang15472023/04/12 09:19
by T. Ozaki
how to calculate the fermi energymaedeh17352023/04/12 09:15
by T. Ozaki
Error in constraint non-collinear DFT calculationsYi-Feng Zhao35122023/04/07 21:28
by Yi-Feng Zhao
Off-diagonal part of the Kohn-Sham potentialHiroaki Tanaka25322023/03/30 09:41
by Hiroaki Tanaka
kSpin state populationMalone55932023/03/08 13:21
by Naoya Yamaguchi
PDOSNima511192023/02/21 18:51
by Nima
Problems in band calculationXinliang Huang47052023/02/20 21:20
by Xinliang Huang
Calculation of accurate band gapVipin Kumar411442023/02/16 18:00
by Pavel Ondračka
Hubbard U determinationMehdi Vejdanihemmat35492023/02/14 22:48
by Mehdi Vejdanihemmat
convergence in electric fieldmaedeh56802023/02/13 23:33
by maedeh
Band structure for SnS2 including HubbardZiba Torkashvand25962023/02/06 16:08
by Ziba Torkashvand
OpenMX viewerMehdi Vejdanihemmat25652023/02/02 21:10
by Mehdi Vejdanihemmat
rashba effectmaedeh15072023/02/02 12:39
by Naoya Yamaguchi
error in OpenMX3.9 installationMehdi Vejdanihemmat15892023/01/27 19:48
by Mehdi Vejdanihemmat
cubic-diamond Ge band structure issueMarc Tunica25482023/01/12 23:01
by Marc Tunica
error:mpirun noticed that process rank 11 with PID 0 on node node01 exited on signal 8 LinTzuChing47532022/12/31 22:49
by LinTzuChing
Sum_PDOSLina26062022/12/23 22:26
by Lina
Empty ".unfold_orb" fileShishir Kumar Pandey35852022/12/22 14:00
by Shishir Kumar Pandey
Activation energy of electrolyteMehdi Vejdanihemmat25172022/12/21 06:18
by Mehdi Vejdanihemmat
Numerical errors of the total energy Naoki Uemura14602022/12/16 13:53
by Naoki Uemura
about the optical calculations in OpenMX3.9Jian Zhou27132022/12/16 10:55
by Jian Zhou
Problem with NEGF calculation Hemant Arora04982022/12/14 02:40
by Hemant Arora
Error comes up when compiling openmx3.9Cosmo148152022/12/12 20:59
by Xinliang Huang
Non convergence in SOC calculationXinliang Huang57432022/12/12 19:25
by Xinliang Huang
formation energymaedeh15662022/12/11 22:20
by T. Ozaki
LSDA-PBE and SOC calculationsmaedeh35342022/12/09 17:43
by T. Ozaki
Band gap and DFT-D3Vicky27862022/12/07 10:49
by Vicky
magnetic fieldmaedeh25712022/12/05 23:19
by maedeh
Description of keywords in DFT-D3Masanobu Miyata67062022/12/02 22:09
by Masanobu Miyata
NEB convergenceMehdi Vejdanihemmat25212022/12/01 23:15
by Mehdi Vejdanihemmat
About calculating bulk system with coulomb cutoff methodTsubasa Hase37082022/12/01 18:10
by T. Ozaki
NEB restartMehdi Vejdanihemmat34922022/12/01 17:50
by T. Ozaki
What does the values of first couple of lines of band structure file represent?MD NILOY KHAN15112022/11/21 04:11
by Naoya Yamaguchi
Compile OpenMX v3.9.9 in windows using Msys2 or Mingw-w64Kylin04872022/11/18 12:26
by Kylin

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