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Thermostat issues when simulating surface bombardmentPavel Ondračka04682021/11/04 23:26
by Pavel Ondračka
openmx on Debian BullseyeH.Ueda57032021/11/04 17:59
by H.Ueda
OpenMx3.9.9 install problem TSUTOMU HOSHINO17902021/11/04 01:20
by Naoya Yamaguchi
Some questions about MD.TimeStepZ25752021/10/30 18:59
by Z
calculation of hoppingmaedeh57062021/10/29 19:32
by maedeh
mpirun hangs indefinetly on multiple nodesP05042021/10/29 12:53
by P
The magnitude of the crystal field splittingK.Usami05132021/10/24 18:26
by K.Usami
On the model with shear strainS.Sato04842021/10/21 14:56
by S.Sato
Patch 3.9.3 to OpenMX Ver. 3.9T. Ozaki79152021/10/20 12:40
by Atsushi M. Ito
Energy decompositionJingyang Wang111332021/10/17 21:50
by T. Ozaki
How to put strain on a materialS.Sato16052021/10/15 11:53
by Naoya Yamaguchi
How to calculate eigenstates from HS.outPES217i68692021/10/06 14:44
by Naoya Yamaguchi
Able to make VPS with adpack (no segmentation fault)Malone06072021/09/23 22:52
by Malone
Restarting NEB calculation changes coordinate unitHisashi Higuchi35442021/09/23 12:31
by Hisashi Higuchi
Installation error openmx 3.9Vipin Kumar1319042021/09/22 21:07
by Naoya Yamaguchi
How to calculate the melting point of a compound using the MD simulations?Xuemei Zhang16692021/09/18 11:12
by T. Ozaki
Installation of OpenMX Ver. 3.9 on Ubuntu 18.04.4 LTS on WSL on Windows 10 (64bit)T. Ozaki142372021/08/29 10:52
by T. Ozaki
The result of runtestK. Yamaguchi48112021/08/23 09:12
by K. Yamaguchi
OpenMx-3.9 : segmentation fault at runtime with gcc-9Deepali Rai312912021/08/18 20:20
by Deepali Rai
Compilation advice on 5950x AMD RyzenZsolt110452021/08/15 10:44
by T. Ozaki
bug in patch3.9.4Jhon González37582021/08/15 10:39
by T. Ozaki
orbital order in HS.outRK17802021/08/12 19:40
by Naoya Yamaguchi
Problems with NH MD and multiple continuation runsPavel Ondracka37502021/08/08 06:40
by T. Ozaki
Instability of a function Band_DFT_NonCol in the case of GCCNaoya Yamaguchi16682021/08/07 12:06
by T. Ozaki
Problems with MD restart and rmm-diisvPavel Ondracka36562021/08/04 21:44
by T. Ozaki
Can we calculate only overlap matrix without SCF calculation?RK37382021/08/02 20:22
by Naoya Yamaguchi
Spi-orbit couplingArtem Pulkin110072021/08/01 11:48
by T. Ozaki
Bug in OpenMXArtem Pulkin211302021/08/01 11:11
by T. Ozaki
ScalingSamuel Dechamps18242021/08/01 10:32
by T. Ozaki
Error with gcc v10 +Samuel Dechamps27252021/07/30 12:41
by T. Ozaki
Error occurs when NEB calculation runs Ninomiya79982021/07/21 10:42
by Ninomiya
convegence problems with corehole calculationsPavel Ondračka811172021/07/20 18:41
by T. Ozaki
Temperature fluctations in NVT Nose Hoover MD calculationsLovleen Kaur48712021/07/20 17:27
by Lovleen Kaur
basic question about DFT-NEGFRK17242021/07/20 11:00
by T. Ozaki
Charge density distribution from the bottom conduction band and top valence bandZ57002021/07/20 10:51
by T. Ozaki
Absolute core electron binding energies with surface slabPavel Ondracka199672021/07/12 23:01
by Pavel Ondracka
Kgird dependence of HS.out valuePES217i36882021/07/02 09:10
by T. Ozaki
Mass of Heat Bath for Nose-Hoover thermostatMauro Sgroi315562021/06/25 16:52
by Lovleen Kaur
Memory problem in supercomputersNinomiya1012562021/06/19 20:55
by Ninomiya
My Workstation restart just when the calculation start runing L.Bechohra26582021/06/17 04:37
by L.Bechohra
kSpin Error: No Bands are FoundSimba167622021/06/15 01:07
by Naoya Yamaguchi
Wrong band structure of BaSnO3 from OpenMXZuzhang Lin512002021/06/13 22:16
by T. Ozaki
Unit of x-axis (k-points) in BANDDAT1 file?Simba56342021/06/13 18:59
by Naoya Yamaguchi
How to Resume the calculations after it crashedSimba36032021/06/13 03:59
by Naoya Yamaguchi
Different Z2 Invariants with and without Band.dispersion 'on'Simba46992021/06/09 22:48
by T. Ozaki
Non-Integer Chern Number (CN)?Simba68122021/06/04 14:21
by Naoya Yamaguchi
SCF setting about geometry optimization or variable cell optimizationZ26602021/06/01 16:56
by Z
Computing Z2 invariant for 1D graphene nanoribbons (GNRs) by Z2FHYubin712872021/05/25 22:52
by Simba
stress tensor and band energyPavel Ondracka16692021/05/25 17:29
by Naoya Yamaguchi
spin spiral calculation not convergemani07052021/05/25 05:53
by mani

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