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Topics Author Replies Views Last Modified
deb packages of OpenMXNaoya Yamaguchi25122021/11/08 17:36
by Naoya Yamaguchi
Linking fails with gcc 11.2.1 - multiple definition of many variablesPavel Ondracka055332021/11/08 16:31
by Pavel Ondracka
gcube2oned for a cube file including spaces in comment linesNaoya Yamaguchi04722021/11/08 00:11
by Naoya Yamaguchi
About obtaining PDOS by hybridized orbitalsTakuma Takeda26762021/11/07 20:10
by Takuma Takeda
openmx3.9 mpi errordavidshisui15842021/11/07 14:37
by Naoya Yamaguchi
Thermostat issues when simulating surface bombardmentPavel Ondračka04222021/11/04 23:26
by Pavel Ondračka
openmx on Debian BullseyeH.Ueda56242021/11/04 17:59
by H.Ueda
OpenMx3.9.9 install problem TSUTOMU HOSHINO16742021/11/04 01:20
by Naoya Yamaguchi
Some questions about MD.TimeStepZ25042021/10/30 18:59
by Z
calculation of hoppingmaedeh56302021/10/29 19:32
by maedeh
mpirun hangs indefinetly on multiple nodesP04192021/10/29 12:53
by P
The magnitude of the crystal field splittingK.Usami04502021/10/24 18:26
by K.Usami
On the model with shear strainS.Sato04252021/10/21 14:56
by S.Sato
Patch 3.9.3 to OpenMX Ver. 3.9T. Ozaki78342021/10/20 12:40
by Atsushi M. Ito
Energy decompositionJingyang Wang110662021/10/17 21:50
by T. Ozaki
How to put strain on a materialS.Sato15292021/10/15 11:53
by Naoya Yamaguchi
How to calculate eigenstates from HS.outPES217i67652021/10/06 14:44
by Naoya Yamaguchi
Able to make VPS with adpack (no segmentation fault)Malone05212021/09/23 22:52
by Malone
Restarting NEB calculation changes coordinate unitHisashi Higuchi34812021/09/23 12:31
by Hisashi Higuchi
Installation error openmx 3.9Vipin Kumar1315562021/09/22 21:07
by Naoya Yamaguchi
How to calculate the melting point of a compound using the MD simulations?Xuemei Zhang15842021/09/18 11:12
by T. Ozaki
Installation of OpenMX Ver. 3.9 on Ubuntu 18.04.4 LTS on WSL on Windows 10 (64bit)T. Ozaki136312021/08/29 10:52
by T. Ozaki
The result of runtestK. Yamaguchi47212021/08/23 09:12
by K. Yamaguchi
OpenMx-3.9 : segmentation fault at runtime with gcc-9Deepali Rai311612021/08/18 20:20
by Deepali Rai
Compilation advice on 5950x AMD RyzenZsolt18882021/08/15 10:44
by T. Ozaki
bug in patch3.9.4Jhon González36842021/08/15 10:39
by T. Ozaki
orbital order in HS.outRK16852021/08/12 19:40
by Naoya Yamaguchi
Problems with NH MD and multiple continuation runsPavel Ondracka36842021/08/08 06:40
by T. Ozaki
Instability of a function Band_DFT_NonCol in the case of GCCNaoya Yamaguchi15832021/08/07 12:06
by T. Ozaki
Problems with MD restart and rmm-diisvPavel Ondracka35892021/08/04 21:44
by T. Ozaki
Can we calculate only overlap matrix without SCF calculation?RK35772021/08/02 20:22
by Naoya Yamaguchi
Spi-orbit couplingArtem Pulkin19392021/08/01 11:48
by T. Ozaki
Bug in OpenMXArtem Pulkin210512021/08/01 11:11
by T. Ozaki
ScalingSamuel Dechamps17482021/08/01 10:32
by T. Ozaki
Error with gcc v10 +Samuel Dechamps26472021/07/30 12:41
by T. Ozaki
Error occurs when NEB calculation runs Ninomiya78532021/07/21 10:42
by Ninomiya
convegence problems with corehole calculationsPavel Ondračka810042021/07/20 18:41
by T. Ozaki
Temperature fluctations in NVT Nose Hoover MD calculationsLovleen Kaur47582021/07/20 17:27
by Lovleen Kaur
basic question about DFT-NEGFRK16422021/07/20 11:00
by T. Ozaki
Charge density distribution from the bottom conduction band and top valence bandZ56302021/07/20 10:51
by T. Ozaki
Absolute core electron binding energies with surface slabPavel Ondracka198502021/07/12 23:01
by Pavel Ondracka
Kgird dependence of HS.out valuePES217i35992021/07/02 09:10
by T. Ozaki
Mass of Heat Bath for Nose-Hoover thermostatMauro Sgroi313912021/06/25 16:52
by Lovleen Kaur
Memory problem in supercomputersNinomiya1011232021/06/19 20:55
by Ninomiya
My Workstation restart just when the calculation start runing L.Bechohra25952021/06/17 04:37
by L.Bechohra
kSpin Error: No Bands are FoundSimba166842021/06/15 01:07
by Naoya Yamaguchi
Wrong band structure of BaSnO3 from OpenMXZuzhang Lin510702021/06/13 22:16
by T. Ozaki
Unit of x-axis (k-points) in BANDDAT1 file?Simba55712021/06/13 18:59
by Naoya Yamaguchi
How to Resume the calculations after it crashedSimba35232021/06/13 03:59
by Naoya Yamaguchi
Different Z2 Invariants with and without Band.dispersion 'on'Simba46382021/06/09 22:48
by T. Ozaki

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