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From AdministratorTaisuke Ozaki08602021/04/07 21:20
by Taisuke Ozaki
cheap cialis canada  - seldgdtphqttaletquxj002023/06/09 19:09
by ttaletquxj
Why openMX need wannierpierre0132023/06/07 20:32
by pierre
rashba maedeh0122023/06/06 17:26
by maedeh
Second variational method and effective screening mediumKirou Sankaran0202023/06/02 22:58
by Kirou Sankaran
Calculation of the electronegativity of a periodic systemMasanobu Miyata4372023/05/31 17:37
by Masanobu Miyata
Importance of scf.fixed.grid in phonon calculationsMasanobu Miyata2292023/05/30 14:39
by Masanobu Miyata
Inverse Matrix of the HamiltonianKieran2572023/05/24 01:37
by Kieran
How does openMX decide the number of eigenvalues on a Kpoint (number of bands) and valance bandsTao Zhang3542023/05/18 17:44
by Tao Zhang
cation molecule interactionYong-Hong Zhao1562023/05/18 08:25
by T. Ozaki
New paperMehdi Vejdanihemmat1832023/05/18 08:19
by T. Ozaki
Questions on optB88-vdW correctionsXinlu Li1642023/05/18 08:18
by T. Ozaki
Hopping zero in Kohn Sham HamiltonianRik1532023/05/18 08:16
by T. Ozaki
how to simulate the spin disorderd materialszhou chao1332023/05/18 08:12
by T. Ozaki
Basis SetsZiba Torkashvand2332023/05/17 20:43
by Ziba Torkashvand
Electron Localization FunctionTomoya Naito2492023/05/14 04:25
by Tomoya Naito
Formation energy of charged defects in 2DRoozbeh Anvari2742023/05/13 06:00
by Roozbeh Anvari
Berry Phase (two dimensional system)ghina2472023/05/10 09:29
by ghina
question on the optimization of twisted graphene 3.84°Tao Zhang1512023/05/09 16:10
by Tao Zhang
jx_configImran Khan 2492023/05/09 11:34
by Imran Khan
An error occurred when the fedora linux system installed openmx:In file included from openmx.c:67: oC1422023/04/28 11:47
by Naoya Yamaguchi
Questions on vdW correctionsXinlu Li0612023/04/21 16:20
by Xinlu Li
Too many output of the cube files by mpiLingzhi Zhang2692023/04/14 23:35
by Lingzhi Zhang
Berry CurvatureMitra1892023/04/13 19:37
by Hikaru Sawahata
negative electric fieldmaedeh1462023/04/12 13:37
by T. Ozaki
Direction of magnetic field different from magnetic orderXiaoyu Liu1532023/04/12 13:35
by T. Ozaki
Inconsistency between band structure and DOS of pure and doped caseVipin Kumar1702023/04/12 13:16
by T. Ozaki
Spin splitting with DFT+U methodVipin Kumar1962023/04/12 13:02
by T. Ozaki
DFT+U convergence problemVipin Kumar11092023/04/12 12:53
by T. Ozaki
How to calculate  the bands only near the Fermi level?wxkao1872023/04/12 09:30
by T. Ozaki
The value of "NormRD" in the calculation is "non"Xinliang Huang1952023/04/12 09:22
by T. Ozaki
Error reported in the slab model of the large systemXinliang Huang1912023/04/12 09:19
by T. Ozaki
how to calculate the fermi energymaedeh1902023/04/12 09:15
by T. Ozaki
Error in constraint non-collinear DFT calculationsYi-Feng Zhao3912023/04/07 21:28
by Yi-Feng Zhao
Off-diagonal part of the Kohn-Sham potentialHiroaki Tanaka2852023/03/30 09:41
by Hiroaki Tanaka
kSpin state populationMalone51192023/03/08 13:21
by Naoya Yamaguchi
PDOSNima51442023/02/21 18:51
by Nima
Problems in band calculationXinliang Huang41382023/02/20 21:20
by Xinliang Huang
Calculation of accurate band gapVipin Kumar41862023/02/16 18:00
by Pavel Ondračka
Hubbard U determinationMehdi Vejdanihemmat31182023/02/14 22:48
by Mehdi Vejdanihemmat
convergence in electric fieldmaedeh51342023/02/13 23:33
by maedeh
Band structure for SnS2 including HubbardZiba Torkashvand21052023/02/06 16:08
by Ziba Torkashvand
OpenMX viewerMehdi Vejdanihemmat2932023/02/02 21:10
by Mehdi Vejdanihemmat
rashba effectmaedeh11042023/02/02 12:39
by Naoya Yamaguchi
error in OpenMX3.9 installationMehdi Vejdanihemmat1862023/01/27 19:48
by Mehdi Vejdanihemmat
Phonon calculationsMehdi Vejdanihemmat113092023/01/27 01:12
by Mehdi Vejdanihemmat
cubic-diamond Ge band structure issueMarc Tunica21192023/01/12 23:01
by Marc Tunica
error:mpirun noticed that process rank 11 with PID 0 on node node01 exited on signal 8 LinTzuChing41442022/12/31 22:49
by LinTzuChing
Sum_PDOSLina21302022/12/23 22:26
by Lina
Empty ".unfold_orb" fileShishir Kumar Pandey31202022/12/22 14:00
by Shishir Kumar Pandey

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