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Gate potentialSamuel Dechamps02612021/12/07 00:23
by Samuel Dechamps
Two questions about PDOS calculation of CoO.K.Usami32952021/12/05 00:21
by K.Usami
problem in OpenMX interface with BoltzTraP zeinab moradi96322021/11/26 10:58
by Masanobu Miyata
Openmx - BoltzTrap2Alejandro Leon12812021/11/26 10:52
by Masanobu Miyata
STM by WSxMVipin Kumar43202021/11/22 18:48
by Naoya Yamaguchi
Error Message from the Installation of OpenMXKieran93752021/11/20 13:49
by Naoya Yamaguchi
A trouble with generation of restart fileTakuma Takeda23292021/11/15 23:01
by Takuma Takeda
undefined reference to `Set_XC_NL1_Grid'Luca 23482021/11/15 22:53
by Luca
There is an error in the electron transport calculationZhipeng Huang74802021/11/09 17:03
by Zhipeng Huang
deb packages of OpenMXNaoya Yamaguchi23022021/11/08 17:36
by Naoya Yamaguchi
Linking fails with gcc 11.2.1 - multiple definition of many variablesPavel Ondracka025282021/11/08 16:31
by Pavel Ondracka
gcube2oned for a cube file including spaces in comment linesNaoya Yamaguchi02502021/11/08 00:11
by Naoya Yamaguchi
About obtaining PDOS by hybridized orbitalsTakuma Takeda23542021/11/07 20:10
by Takuma Takeda
openmx3.9 mpi errordavidshisui13472021/11/07 14:37
by Naoya Yamaguchi
Thermostat issues when simulating surface bombardmentPavel Ondračka02242021/11/04 23:26
by Pavel Ondračka
openmx on Debian BullseyeH.Ueda53382021/11/04 17:59
by H.Ueda
OpenMx3.9.9 install problem TSUTOMU HOSHINO13392021/11/04 01:20
by Naoya Yamaguchi
Some questions about MD.TimeStepZ22812021/10/30 18:59
by Z
calculation of hoppingmaedeh53882021/10/29 19:32
by maedeh
mpirun hangs indefinetly on multiple nodesP02222021/10/29 12:53
by P
The magnitude of the crystal field splittingK.Usami02492021/10/24 18:26
by K.Usami
On the model with shear strainS.Sato02372021/10/21 14:56
by S.Sato
Patch 3.9.3 to OpenMX Ver. 3.9T. Ozaki75682021/10/20 12:40
by Atsushi M. Ito
Energy decompositionJingyang Wang13152021/10/17 21:50
by T. Ozaki
How to put strain on a materialS.Sato13012021/10/15 11:53
by Naoya Yamaguchi
How to calculate eigenstates from HS.outPES217i64502021/10/06 14:44
by Naoya Yamaguchi
Able to make VPS with adpack (no segmentation fault)Malone03022021/09/23 22:52
by Malone
Restarting NEB calculation changes coordinate unitHisashi Higuchi32762021/09/23 12:31
by Hisashi Higuchi
Installation error openmx 3.9Vipin Kumar137872021/09/22 21:07
by Naoya Yamaguchi
How to calculate the melting point of a compound using the MD simulations?Xuemei Zhang13072021/09/18 11:12
by T. Ozaki
Installation of OpenMX Ver. 3.9 on Ubuntu 18.04.4 LTS on WSL on Windows 10 (64bit)T. Ozaki121042021/08/29 10:52
by T. Ozaki
The result of runtestK. Yamaguchi44392021/08/23 09:12
by K. Yamaguchi
OpenMx-3.9 : segmentation fault at runtime with gcc-9Deepali Rai35852021/08/18 20:20
by Deepali Rai
Compilation advice on 5950x AMD RyzenZsolt15352021/08/15 10:44
by T. Ozaki
bug in patch3.9.4Jhon González34242021/08/15 10:39
by T. Ozaki
orbital order in HS.outRK14082021/08/12 19:40
by Naoya Yamaguchi
Problems with NH MD and multiple continuation runsPavel Ondracka33392021/08/08 06:40
by T. Ozaki
Instability of a function Band_DFT_NonCol in the case of GCCNaoya Yamaguchi13532021/08/07 12:06
by T. Ozaki
Problems with MD restart and rmm-diisvPavel Ondracka33202021/08/04 21:44
by T. Ozaki
Can we calculate only overlap matrix without SCF calculation?RK33522021/08/02 20:22
by Naoya Yamaguchi
Spi-orbit couplingArtem Pulkin16712021/08/01 11:48
by T. Ozaki
Bug in OpenMXArtem Pulkin27562021/08/01 11:11
by T. Ozaki
ScalingSamuel Dechamps15112021/08/01 10:32
by T. Ozaki
Error with gcc v10 +Samuel Dechamps24072021/07/30 12:41
by T. Ozaki
Error occurs when NEB calculation runs Ninomiya74822021/07/21 10:42
by Ninomiya
convegence problems with corehole calculationsPavel Ondračka86312021/07/20 18:41
by T. Ozaki
Temperature fluctations in NVT Nose Hoover MD calculationsLovleen Kaur44422021/07/20 17:27
by Lovleen Kaur
basic question about DFT-NEGFRK13682021/07/20 11:00
by T. Ozaki
Charge density distribution from the bottom conduction band and top valence bandZ53722021/07/20 10:51
by T. Ozaki
Absolute core electron binding energies with surface slabPavel Ondracka195242021/07/12 23:01
by Pavel Ondracka

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