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Topics Author Replies Views Last Modified
gcube2oned for a cube file including spaces in comment linesNaoya Yamaguchi04082021/11/08 00:11
by Naoya Yamaguchi
About obtaining PDOS by hybridized orbitalsTakuma Takeda25652021/11/07 20:10
by Takuma Takeda
openmx3.9 mpi errordavidshisui15142021/11/07 14:37
by Naoya Yamaguchi
Thermostat issues when simulating surface bombardmentPavel Ondračka03712021/11/04 23:26
by Pavel Ondračka
openmx on Debian BullseyeH.Ueda55232021/11/04 17:59
by H.Ueda
OpenMx3.9.9 install problem TSUTOMU HOSHINO15582021/11/04 01:20
by Naoya Yamaguchi
Some questions about MD.TimeStepZ24352021/10/30 18:59
by Z
calculation of hoppingmaedeh55582021/10/29 19:32
by maedeh
mpirun hangs indefinetly on multiple nodesP03522021/10/29 12:53
by P
The magnitude of the crystal field splittingK.Usami03842021/10/24 18:26
by K.Usami
On the model with shear strainS.Sato03602021/10/21 14:56
by S.Sato
Patch 3.9.3 to OpenMX Ver. 3.9T. Ozaki77492021/10/20 12:40
by Atsushi M. Ito
Energy decompositionJingyang Wang16762021/10/17 21:50
by T. Ozaki
How to put strain on a materialS.Sato14622021/10/15 11:53
by Naoya Yamaguchi
How to calculate eigenstates from HS.outPES217i66692021/10/06 14:44
by Naoya Yamaguchi
Able to make VPS with adpack (no segmentation fault)Malone04542021/09/23 22:52
by Malone
Restarting NEB calculation changes coordinate unitHisashi Higuchi34092021/09/23 12:31
by Hisashi Higuchi
Installation error openmx 3.9Vipin Kumar1313062021/09/22 21:07
by Naoya Yamaguchi
How to calculate the melting point of a compound using the MD simulations?Xuemei Zhang14992021/09/18 11:12
by T. Ozaki
Installation of OpenMX Ver. 3.9 on Ubuntu 18.04.4 LTS on WSL on Windows 10 (64bit)T. Ozaki130312021/08/29 10:52
by T. Ozaki
The result of runtestK. Yamaguchi46252021/08/23 09:12
by K. Yamaguchi
OpenMx-3.9 : segmentation fault at runtime with gcc-9Deepali Rai310252021/08/18 20:20
by Deepali Rai
Compilation advice on 5950x AMD RyzenZsolt17392021/08/15 10:44
by T. Ozaki
bug in patch3.9.4Jhon González36062021/08/15 10:39
by T. Ozaki
orbital order in HS.outRK16052021/08/12 19:40
by Naoya Yamaguchi
Problems with NH MD and multiple continuation runsPavel Ondracka36072021/08/08 06:40
by T. Ozaki
Instability of a function Band_DFT_NonCol in the case of GCCNaoya Yamaguchi15052021/08/07 12:06
by T. Ozaki
Problems with MD restart and rmm-diisvPavel Ondracka35182021/08/04 21:44
by T. Ozaki
Can we calculate only overlap matrix without SCF calculation?RK35022021/08/02 20:22
by Naoya Yamaguchi
Spi-orbit couplingArtem Pulkin18652021/08/01 11:48
by T. Ozaki
Bug in OpenMXArtem Pulkin29742021/08/01 11:11
by T. Ozaki
ScalingSamuel Dechamps16782021/08/01 10:32
by T. Ozaki
Error with gcc v10 +Samuel Dechamps25642021/07/30 12:41
by T. Ozaki
Error occurs when NEB calculation runs Ninomiya76922021/07/21 10:42
by Ninomiya
convegence problems with corehole calculationsPavel Ondračka89112021/07/20 18:41
by T. Ozaki
Temperature fluctations in NVT Nose Hoover MD calculationsLovleen Kaur46512021/07/20 17:27
by Lovleen Kaur
basic question about DFT-NEGFRK15492021/07/20 11:00
by T. Ozaki
Charge density distribution from the bottom conduction band and top valence bandZ55512021/07/20 10:51
by T. Ozaki
Absolute core electron binding energies with surface slabPavel Ondracka197322021/07/12 23:01
by Pavel Ondracka
Kgird dependence of HS.out valuePES217i35322021/07/02 09:10
by T. Ozaki
Mass of Heat Bath for Nose-Hoover thermostatMauro Sgroi312212021/06/25 16:52
by Lovleen Kaur
Memory problem in supercomputersNinomiya109612021/06/19 20:55
by Ninomiya
My Workstation restart just when the calculation start runing L.Bechohra25182021/06/17 04:37
by L.Bechohra
kSpin Error: No Bands are FoundSimba165952021/06/15 01:07
by Naoya Yamaguchi
Wrong band structure of BaSnO3 from OpenMXZuzhang Lin59252021/06/13 22:16
by T. Ozaki
Unit of x-axis (k-points) in BANDDAT1 file?Simba54962021/06/13 18:59
by Naoya Yamaguchi
How to Resume the calculations after it crashedSimba34442021/06/13 03:59
by Naoya Yamaguchi
Different Z2 Invariants with and without Band.dispersion 'on'Simba45702021/06/09 22:48
by T. Ozaki
Non-Integer Chern Number (CN)?Simba66472021/06/04 14:21
by Naoya Yamaguchi
SCF setting about geometry optimization or variable cell optimizationZ25092021/06/01 16:56
by Z

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