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Openmx - BoltzTrap2Alejandro Leon13502021/11/26 10:52
by Masanobu Miyata
STM by WSxMVipin Kumar44482021/11/22 18:48
by Naoya Yamaguchi
Error Message from the Installation of OpenMXKieran95242021/11/20 13:49
by Naoya Yamaguchi
A trouble with generation of restart fileTakuma Takeda24182021/11/15 23:01
by Takuma Takeda
undefined reference to `Set_XC_NL1_Grid'Luca 24402021/11/15 22:53
by Luca
There is an error in the electron transport calculationZhipeng Huang75622021/11/09 17:03
by Zhipeng Huang
deb packages of OpenMXNaoya Yamaguchi23622021/11/08 17:36
by Naoya Yamaguchi
Linking fails with gcc 11.2.1 - multiple definition of many variablesPavel Ondracka037582021/11/08 16:31
by Pavel Ondracka
gcube2oned for a cube file including spaces in comment linesNaoya Yamaguchi03202021/11/08 00:11
by Naoya Yamaguchi
About obtaining PDOS by hybridized orbitalsTakuma Takeda24532021/11/07 20:10
by Takuma Takeda
openmx3.9 mpi errordavidshisui14312021/11/07 14:37
by Naoya Yamaguchi
Thermostat issues when simulating surface bombardmentPavel Ondračka02882021/11/04 23:26
by Pavel Ondračka
openmx on Debian BullseyeH.Ueda54262021/11/04 17:59
by H.Ueda
OpenMx3.9.9 install problem TSUTOMU HOSHINO14582021/11/04 01:20
by Naoya Yamaguchi
Some questions about MD.TimeStepZ23612021/10/30 18:59
by Z
calculation of hoppingmaedeh54642021/10/29 19:32
by maedeh
mpirun hangs indefinetly on multiple nodesP02812021/10/29 12:53
by P
The magnitude of the crystal field splittingK.Usami03132021/10/24 18:26
by K.Usami
On the model with shear strainS.Sato02982021/10/21 14:56
by S.Sato
Patch 3.9.3 to OpenMX Ver. 3.9T. Ozaki76492021/10/20 12:40
by Atsushi M. Ito
Energy decompositionJingyang Wang13962021/10/17 21:50
by T. Ozaki
How to put strain on a materialS.Sato13742021/10/15 11:53
by Naoya Yamaguchi
How to calculate eigenstates from HS.outPES217i65522021/10/06 14:44
by Naoya Yamaguchi
Able to make VPS with adpack (no segmentation fault)Malone03712021/09/23 22:52
by Malone
Restarting NEB calculation changes coordinate unitHisashi Higuchi33342021/09/23 12:31
by Hisashi Higuchi
Installation error openmx 3.9Vipin Kumar1310142021/09/22 21:07
by Naoya Yamaguchi
How to calculate the melting point of a compound using the MD simulations?Xuemei Zhang13822021/09/18 11:12
by T. Ozaki
Installation of OpenMX Ver. 3.9 on Ubuntu 18.04.4 LTS on WSL on Windows 10 (64bit)T. Ozaki125412021/08/29 10:52
by T. Ozaki
The result of runtestK. Yamaguchi45232021/08/23 09:12
by K. Yamaguchi
OpenMx-3.9 : segmentation fault at runtime with gcc-9Deepali Rai37282021/08/18 20:20
by Deepali Rai
Compilation advice on 5950x AMD RyzenZsolt16442021/08/15 10:44
by T. Ozaki
bug in patch3.9.4Jhon González35162021/08/15 10:39
by T. Ozaki
orbital order in HS.outRK14912021/08/12 19:40
by Naoya Yamaguchi
Problems with NH MD and multiple continuation runsPavel Ondracka34642021/08/08 06:40
by T. Ozaki
Instability of a function Band_DFT_NonCol in the case of GCCNaoya Yamaguchi14172021/08/07 12:06
by T. Ozaki
Problems with MD restart and rmm-diisvPavel Ondracka34292021/08/04 21:44
by T. Ozaki
Can we calculate only overlap matrix without SCF calculation?RK34232021/08/02 20:22
by Naoya Yamaguchi
Spi-orbit couplingArtem Pulkin17602021/08/01 11:48
by T. Ozaki
Bug in OpenMXArtem Pulkin28772021/08/01 11:11
by T. Ozaki
ScalingSamuel Dechamps15882021/08/01 10:32
by T. Ozaki
Error with gcc v10 +Samuel Dechamps24782021/07/30 12:41
by T. Ozaki
Error occurs when NEB calculation runs Ninomiya75782021/07/21 10:42
by Ninomiya
convegence problems with corehole calculationsPavel Ondračka87652021/07/20 18:41
by T. Ozaki
Temperature fluctations in NVT Nose Hoover MD calculationsLovleen Kaur45412021/07/20 17:27
by Lovleen Kaur
basic question about DFT-NEGFRK14472021/07/20 11:00
by T. Ozaki
Charge density distribution from the bottom conduction band and top valence bandZ54552021/07/20 10:51
by T. Ozaki
Absolute core electron binding energies with surface slabPavel Ondracka196092021/07/12 23:01
by Pavel Ondracka
Kgird dependence of HS.out valuePES217i34422021/07/02 09:10
by T. Ozaki
Mass of Heat Bath for Nose-Hoover thermostatMauro Sgroi310722021/06/25 16:52
by Lovleen Kaur
Memory problem in supercomputersNinomiya107892021/06/19 20:55
by Ninomiya

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