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The result of runtestK. Yamaguchi43852021/08/23 09:12
by K. Yamaguchi
OpenMx-3.9 : segmentation fault at runtime with gcc-9Deepali Rai34852021/08/18 20:20
by Deepali Rai
Compilation advice on 5950x AMD RyzenZsolt14582021/08/15 10:44
by T. Ozaki
bug in patch3.9.4Jhon González33652021/08/15 10:39
by T. Ozaki
orbital order in HS.outRK13462021/08/12 19:40
by Naoya Yamaguchi
Problems with NH MD and multiple continuation runsPavel Ondracka32922021/08/08 06:40
by T. Ozaki
Instability of a function Band_DFT_NonCol in the case of GCCNaoya Yamaguchi13032021/08/07 12:06
by T. Ozaki
Problems with MD restart and rmm-diisvPavel Ondracka32792021/08/04 21:44
by T. Ozaki
Can we calculate only overlap matrix without SCF calculation?RK32932021/08/02 20:22
by Naoya Yamaguchi
Spi-orbit couplingArtem Pulkin16112021/08/01 11:48
by T. Ozaki
Bug in OpenMXArtem Pulkin27022021/08/01 11:11
by T. Ozaki
ScalingSamuel Dechamps14612021/08/01 10:32
by T. Ozaki
Error with gcc v10 +Samuel Dechamps23482021/07/30 12:41
by T. Ozaki
Error occurs when NEB calculation runs Ninomiya74042021/07/21 10:42
by Ninomiya
convegence problems with corehole calculationsPavel Ondračka85662021/07/20 18:41
by T. Ozaki
Temperature fluctations in NVT Nose Hoover MD calculationsLovleen Kaur43612021/07/20 17:27
by Lovleen Kaur
basic question about DFT-NEGFRK13182021/07/20 11:00
by T. Ozaki
Charge density distribution from the bottom conduction band and top valence bandZ53202021/07/20 10:51
by T. Ozaki
Absolute core electron binding energies with surface slabPavel Ondracka194722021/07/12 23:01
by Pavel Ondracka
Kgird dependence of HS.out valuePES217i33192021/07/02 09:10
by T. Ozaki
Mass of Heat Bath for Nose-Hoover thermostatMauro Sgroi38052021/06/25 16:52
by Lovleen Kaur
Memory problem in supercomputersNinomiya105142021/06/19 20:55
by Ninomiya
My Workstation restart just when the calculation start runing L.Bechohra23282021/06/17 04:37
by L.Bechohra
kSpin Error: No Bands are FoundSimba163722021/06/15 01:07
by Naoya Yamaguchi
Wrong band structure of BaSnO3 from OpenMXZuzhang Lin56112021/06/13 22:16
by T. Ozaki
Unit of x-axis (k-points) in BANDDAT1 file?Simba52892021/06/13 18:59
by Naoya Yamaguchi
How to Resume the calculations after it crashedSimba32642021/06/13 03:59
by Naoya Yamaguchi
Different Z2 Invariants with and without Band.dispersion 'on'Simba43672021/06/09 22:48
by T. Ozaki
Non-Integer Chern Number (CN)?Simba63922021/06/04 14:21
by Naoya Yamaguchi
SCF setting about geometry optimization or variable cell optimizationZ23002021/06/01 16:56
by Z
Computing Z2 invariant for 1D graphene nanoribbons (GNRs) by Z2FHYubin76682021/05/25 22:52
by Simba
stress tensor and band energyPavel Ondracka13582021/05/25 17:29
by Naoya Yamaguchi
spin spiral calculation not convergemani03592021/05/25 05:53
by mani
Chern numberwlliu74182021/05/24 22:39
by Simba
The meaning of Rn in HS.outMao24102021/05/17 17:14
by Mao
A problem about band generating by gnuplotZ23182021/05/12 21:17
by Z
PAO visulizationXin33202021/05/11 02:43
by Naoya Yamaguchi
ERROR: Lapack routine DSTEQR failedmani64852021/05/03 23:10
by Naoya Yamaguchi
Segmentation faultmani24282021/05/03 10:03
by mani
installatin openmx3.9 errorAdam248312021/04/23 01:35
by Naoya Yamaguchi
An error : "Num. of grids overlapping with atom" after mpirun openmx3.9Adam13992021/04/17 20:51
by Naoya Yamaguchi
input file for the restart calculationreza94602021/04/15 02:17
by Naoya Yamaguchi
Crys-MnO example from workSergey56272021/04/11 18:42
by Mehdi
about "Automatic running test with large-scale systems" (openmx3.9)Hiromi Hayashi03762021/03/30 17:34
by Hiromi Hayashi
Compilation Error: openmx 3.9 Renato26902021/03/04 11:47
by Renato
installatin openmx3.9 with intel-fortran compilersmani109992021/03/02 23:07
by mehdi
Negative charge Nd ions within DFT+U calculationAleksey16382021/02/19 15:00
by Jhon W. Gonzalez
NEB: how to decide the MD.Opt.criterion valueBorong65282021/02/05 10:27
by Borong
No rule to make target `Cluster_DFT.c', needed by `Cluster_DFT.o'. Stop.Riemann Dearakhshan14342020/12/31 18:56
by Naoya Yamaguchi
STM Simulation doesn't work when solver is ClusterKelvin14952020/12/28 02:42
by Naoya Yamaguchi

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