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From AdministratorTaisuke Ozaki03322021/04/07 21:20
by Taisuke Ozaki
Gate potentialSamuel Dechamps052021/12/07 00:23
by Samuel Dechamps
Two questions about PDOS calculation of CoO.K.Usami3542021/12/05 00:21
by K.Usami
problem in OpenMX interface with BoltzTraP zeinab moradi93242021/11/26 10:58
by Masanobu Miyata
Openmx - BoltzTrap2Alejandro Leon1412021/11/26 10:52
by Masanobu Miyata
STM by WSxMVipin Kumar4412021/11/22 18:48
by Naoya Yamaguchi
Error Message from the Installation of OpenMXKieran9682021/11/20 13:49
by Naoya Yamaguchi
A trouble with generation of restart fileTakuma Takeda2462021/11/15 23:01
by Takuma Takeda
undefined reference to `Set_XC_NL1_Grid'Luca 2382021/11/15 22:53
by Luca
There is an error in the electron transport calculationZhipeng Huang71872021/11/09 17:03
by Zhipeng Huang
deb packages of OpenMXNaoya Yamaguchi2552021/11/08 17:36
by Naoya Yamaguchi
Linking fails with gcc 11.2.1 - multiple definition of many variablesPavel Ondracka0342021/11/08 16:31
by Pavel Ondracka
gcube2oned for a cube file including spaces in comment linesNaoya Yamaguchi0292021/11/08 00:11
by Naoya Yamaguchi
About obtaining PDOS by hybridized orbitalsTakuma Takeda2452021/11/07 20:10
by Takuma Takeda
openmx3.9 mpi errordavidshisui1472021/11/07 14:37
by Naoya Yamaguchi
Thermostat issues when simulating surface bombardmentPavel Ondračka0352021/11/04 23:26
by Pavel Ondračka
openmx on Debian BullseyeH.Ueda5572021/11/04 17:59
by H.Ueda
OpenMx3.9.9 install problem TSUTOMU HOSHINO1602021/11/04 01:20
by Naoya Yamaguchi
Some questions about MD.TimeStepZ2562021/10/30 18:59
by Z
calculation of hoppingmaedeh51072021/10/29 19:32
by maedeh
mpirun hangs indefinetly on multiple nodesP0392021/10/29 12:53
by P
The magnitude of the crystal field splittingK.Usami0602021/10/24 18:26
by K.Usami
On the model with shear strainS.Sato0552021/10/21 14:56
by S.Sato
Patch 3.9.3 to OpenMX Ver. 3.9T. Ozaki73012021/10/20 12:40
by Atsushi M. Ito
Energy decompositionJingyang Wang1742021/10/17 21:50
by T. Ozaki
How to put strain on a materialS.Sato1732021/10/15 11:53
by Naoya Yamaguchi
How to calculate eigenstates from HS.outPES217i62052021/10/06 14:44
by Naoya Yamaguchi
Able to make VPS with adpack (no segmentation fault)Malone0792021/09/23 22:52
by Malone
Parameters for running large systemsMChen31102021/09/23 20:36
by T. Ozaki
Restarting NEB calculation changes coordinate unitHisashi Higuchi3802021/09/23 12:31
by Hisashi Higuchi
Installation error openmx 3.9Vipin Kumar132382021/09/22 21:07
by Naoya Yamaguchi
How to calculate the melting point of a compound using the MD simulations?Xuemei Zhang1932021/09/18 11:12
by T. Ozaki
Installation of OpenMX Ver. 3.9 on Ubuntu 18.04.4 LTS on WSL on Windows 10 (64bit)T. Ozaki16732021/08/29 10:52
by T. Ozaki
The result of runtestK. Yamaguchi41922021/08/23 09:12
by K. Yamaguchi
OpenMx-3.9 : segmentation fault at runtime with gcc-9Deepali Rai32102021/08/18 20:20
by Deepali Rai
Compilation advice on 5950x AMD RyzenZsolt12272021/08/15 10:44
by T. Ozaki
bug in patch3.9.4Jhon González31822021/08/15 10:39
by T. Ozaki
orbital order in HS.outRK11202021/08/12 19:40
by Naoya Yamaguchi
Problems with NH MD and multiple continuation runsPavel Ondracka31242021/08/08 06:40
by T. Ozaki
Instability of a function Band_DFT_NonCol in the case of GCCNaoya Yamaguchi11402021/08/07 12:06
by T. Ozaki
Problems with MD restart and rmm-diisvPavel Ondracka31312021/08/04 21:44
by T. Ozaki
Can we calculate only overlap matrix without SCF calculation?RK31302021/08/02 20:22
by Naoya Yamaguchi
Spi-orbit couplingArtem Pulkin14152021/08/01 11:48
by T. Ozaki
Bug in OpenMXArtem Pulkin24722021/08/01 11:11
by T. Ozaki
ScalingSamuel Dechamps12842021/08/01 10:32
by T. Ozaki
Error with gcc v10 +Samuel Dechamps21642021/07/30 12:41
by T. Ozaki
memory increasing as MD steps increase and the version issue on itKunihiro Yananose31832021/07/27 15:11
by Kunihiro Yananose
Error occurs when NEB calculation runs Ninomiya71962021/07/21 10:42
by Ninomiya
convegence problems with corehole calculationsPavel Ondračka83612021/07/20 18:41
by T. Ozaki
Temperature fluctations in NVT Nose Hoover MD calculationsLovleen Kaur41402021/07/20 17:27
by Lovleen Kaur

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