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From AdministratorTaisuke Ozaki02412021/04/07 21:20
by Taisuke Ozaki
Parameters for running large systemsMChen1232021/09/18 11:17
by T. Ozaki
How to calculate the melting point of a compound using the MD simulations?Xuemei Zhang1272021/09/18 11:12
by T. Ozaki
Patch 3.9.3 to OpenMX Ver. 3.9T. Ozaki41342021/09/15 09:41
by T. Ozaki
Installation error openmx 3.9Vipin Kumar111092021/09/14 20:53
by Naoya Yamaguchi
Installation of OpenMX Ver. 3.9 on Ubuntu 18.04.4 LTS on WSL on Windows 10 (64bit)T. Ozaki13502021/08/29 10:49
by T. Ozaki
The result of runtestK. Yamaguchi41242021/08/23 09:12
by K. Yamaguchi
OpenMx-3.9 : segmentation fault at runtime with gcc-9Deepali Rai31342021/08/18 20:20
by Deepali Rai
Compilation advice on 5950x AMD RyzenZsolt11262021/08/15 10:44
by T. Ozaki
bug in patch3.9.4Jhon González3962021/08/15 10:39
by T. Ozaki
orbital order in HS.outRK1492021/08/12 19:40
by Naoya Yamaguchi
Problems with NH MD and multiple continuation runsPavel Ondracka3812021/08/08 06:40
by T. Ozaki
Instability of a function Band_DFT_NonCol in the case of GCCNaoya Yamaguchi1912021/08/07 12:06
by T. Ozaki
Problems with MD restart and rmm-diisvPavel Ondracka3722021/08/04 21:44
by T. Ozaki
Can we calculate only overlap matrix without SCF calculation?RK3772021/08/02 20:22
by Naoya Yamaguchi
Spi-orbit couplingArtem Pulkin13342021/08/01 11:48
by T. Ozaki
Bug in OpenMXArtem Pulkin23912021/08/01 11:11
by T. Ozaki
ScalingSamuel Dechamps12262021/08/01 10:32
by T. Ozaki
Error with gcc v10 +Samuel Dechamps2942021/07/30 12:41
by T. Ozaki
There is an error in the electron transport calculationZhipeng Huang61032021/07/28 22:23
by T. Ozaki
problem in OpenMX interface with BoltzTraP zeinab moradi72002021/07/28 15:49
by Masanobu Miyata
memory increasing as MD steps increase and the version issue on itKunihiro Yananose31202021/07/27 15:11
by Kunihiro Yananose
Error occurs when NEB calculation runs Ninomiya71332021/07/21 10:42
by Ninomiya
convegence problems with corehole calculationsPavel Ondračka82992021/07/20 18:41
by T. Ozaki
Temperature fluctations in NVT Nose Hoover MD calculationsLovleen Kaur4842021/07/20 17:27
by Lovleen Kaur
basic question about DFT-NEGFRK1732021/07/20 11:00
by T. Ozaki
Charge density distribution from the bottom conduction band and top valence bandZ51162021/07/20 10:51
by T. Ozaki
Absolute core electron binding energies with surface slabPavel Ondracka192172021/07/12 23:01
by Pavel Ondracka
Kgird dependence of HS.out valuePES217i31122021/07/02 09:10
by T. Ozaki
How to calculate eigenstates from HS.outPES217i1712021/07/02 01:36
by Naoya Yamaguchi
Mass of Heat Bath for Nose-Hoover thermostatMauro Sgroi33242021/06/25 16:52
by Lovleen Kaur
Memory problem in supercomputersNinomiya101962021/06/19 20:55
by Ninomiya
My Workstation restart just when the calculation start runing L.Bechohra21112021/06/17 04:37
by L.Bechohra
kSpin Error: No Bands are FoundSimba161422021/06/15 01:07
by Naoya Yamaguchi
Wrong band structure of BaSnO3 from OpenMXZuzhang Lin53262021/06/13 22:16
by T. Ozaki
Unit of x-axis (k-points) in BANDDAT1 file?Simba51072021/06/13 18:59
by Naoya Yamaguchi
How to Resume the calculations after it crashedSimba3932021/06/13 03:59
by Naoya Yamaguchi
Different Z2 Invariants with and without Band.dispersion 'on'Simba41642021/06/09 22:48
by T. Ozaki
Non-Integer Chern Number (CN)?Simba61662021/06/04 14:21
by Naoya Yamaguchi
SCF setting about geometry optimization or variable cell optimizationZ21162021/06/01 16:56
by Z
Computing Z2 invariant for 1D graphene nanoribbons (GNRs) by Z2FHYubin74062021/05/25 22:52
by Simba
stress tensor and band energyPavel Ondracka11322021/05/25 17:29
by Naoya Yamaguchi
spin spiral calculation not convergemani01322021/05/25 05:53
by mani
Chern numberwlliu71922021/05/24 22:39
by Simba
The meaning of Rn in HS.outMao21422021/05/17 17:14
by Mao
A problem about band generating by gnuplotZ21382021/05/12 21:17
by Z
PAO visulizationXin31382021/05/11 02:43
by Naoya Yamaguchi
ERROR: Lapack routine DSTEQR failedmani61852021/05/03 23:10
by Naoya Yamaguchi
Segmentation faultmani21562021/05/03 10:03
by mani
installatin openmx3.9 errorAdam243962021/04/23 01:35
by Naoya Yamaguchi

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