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From AdministratorTaisuke Ozaki07522021/04/07 21:20
by Taisuke Ozaki
convergence in electric fieldmaedeh1152023/01/30 20:34
by Yung-Ting Lee
error in OpenMX3.9 installationMehdi Vejdanihemmat1162023/01/27 19:48
by Mehdi Vejdanihemmat
Phonon calculationsMehdi Vejdanihemmat111802023/01/27 01:12
by Mehdi Vejdanihemmat
rashba effectmaedeh0142023/01/22 23:15
by maedeh
cubic-diamond Ge band structure issueMarc Tunica2572023/01/12 23:01
by Marc Tunica
error:mpirun noticed that process rank 11 with PID 0 on node node01 exited on signal 8 LinTzuChing4812022/12/31 22:49
by LinTzuChing
Sum_PDOSLina2562022/12/23 22:26
by Lina
Empty ".unfold_orb" fileShishir Kumar Pandey3492022/12/22 14:00
by Shishir Kumar Pandey
Activation energy of electrolyteMehdi Vejdanihemmat2632022/12/21 06:18
by Mehdi Vejdanihemmat
Numerical errors of the total energy Naoki Uemura1452022/12/16 13:53
by Naoki Uemura
about the optical calculations in OpenMX3.9Jian Zhou2752022/12/16 10:55
by Jian Zhou
Problem with NEGF calculation Hemant Arora0432022/12/14 02:40
by Hemant Arora
Error comes up when compiling openmx3.9Cosmo141152022/12/12 20:59
by Xinliang Huang
Non convergence in SOC calculationXinliang Huang5792022/12/12 19:25
by Xinliang Huang
formation energymaedeh1452022/12/11 22:20
by T. Ozaki
LSDA-PBE and SOC calculationsmaedeh3622022/12/09 17:43
by T. Ozaki
Band gap and DFT-D3Vicky2662022/12/07 10:49
by Vicky
magnetic fieldmaedeh2752022/12/05 23:19
by maedeh
Description of keywords in DFT-D3Masanobu Miyata6922022/12/02 22:09
by Masanobu Miyata
NEB convergenceMehdi Vejdanihemmat2552022/12/01 23:15
by Mehdi Vejdanihemmat
About calculating bulk system with coulomb cutoff methodTsubasa Hase31632022/12/01 18:10
by T. Ozaki
NEB restartMehdi Vejdanihemmat3762022/12/01 17:50
by T. Ozaki
What does the values of first couple of lines of band structure file represent?MD NILOY KHAN1672022/11/21 04:11
by Naoya Yamaguchi
Compile OpenMX v3.9.9 in windows using Msys2 or Mingw-w64Kylin0542022/11/18 12:26
by Kylin
Change direction of transmission in negf fileZeinab.mrd5962022/11/12 21:59
by zeinab.mrd
NEGF runtestMehdi Vejdanihemmat31132022/11/12 00:03
by Mehdi Vejdanihemmat
Interface with BoltzTraPWiwik121802022/11/11 15:22
by Wiwik
kSpin in 3.9.9Naoya Yamaguchi11012022/11/11 11:42
by T. Ozaki
Ghost states_band structureAmina122302022/11/11 11:14
by T. Ozaki
Installation openmx3.9 error: with Ubuntu 22 + ifort 2020Shahram 41052022/11/10 03:04
by Shahram
shift in Kohn-Sham potential while calculating work functionRishabh Sharma21092022/11/08 21:43
by Rishabh Sharma
Band unfolding of heterojunctionXinliang Huang1842022/11/08 13:25
by Chi-Cheng Lee
core dumped in the exchange coupling calculation (Jx) for cluster systemHEMANT ARORA31102022/11/01 23:42
by T. Ozaki
Bandstructure within energy rangeAnshu Gaur1862022/11/01 23:37
by T. Ozaki
Finished: Mentainance of the OpenMX websiteT. Ozaki0862022/10/31 01:15
by T. Ozaki
Error in MLWF calculated :rejectedAdantion21732022/10/21 13:54
by Adantion
About Fermi level and magnetic moment in MnBi2Te4ooteki41332022/10/21 13:04
by Oo Teki
How can I calculate the whole band dispersion in the Brillouin zone?Junyoung81212022/10/20 16:45
by Junyoung
Point group of a k-pointAlireza Baradaran11012022/10/20 14:59
by T. Ozaki
How to find interaction energy in result with using DFT-D3 methodAdantion1942022/10/20 14:57
by T. Ozaki
Z2 invariant calculationAlireza Baradaran51422022/10/19 15:10
by Naoya Yamaguchi
DOS Gaussian smearing Michele Amato21062022/10/13 01:00
by Michele Amato
error in visualize the STM image by WSxM 4.0 Beta 9.3 and WSxM 5.0 Develop 10.2zeinab.mrd22232022/10/06 15:32
by Rishabh Sharma
Survey on the use of simulation codesT. Ozaki01192022/09/27 09:23
by T. Ozaki
Any plans on OpenMX 4.0?Weixiao Ji22012022/09/21 09:59
by Weixiao Ji
Type mismatch error at line 985 while installing 'makefile' of openmx3.8 with Kali linux terminalMD NILOY KHAN51072022/09/20 16:37
by Naoya Yamaguchi
Sizes of Hamiltonian and Overlap matrices in OpenMXWenfei51892022/09/15 18:38
by T. Ozaki
Non-Collinear DFT Euler AnglesMax Fusté Costa21182022/09/14 22:51
by T. Ozaki
How to calculate Local DOS (not PDOS)IK21612022/09/14 22:47
by T. Ozaki

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