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Topics Author Replies Views Last Modified
Exchange coupling parameter program (jx)Joao Amaral63962016/09/06 16:58
by Hongkee Yoon
Error points in Band Structure of SrVO3Priya Dey11722016/09/04 21:05
by T. Ozaki
MBJLDASehoon Oh11802016/09/02 12:06
by T. Ozaki
Can openMX simulate few layer grapheneJohn Chen12102016/08/30 18:15
by Artem Pulkin
the question of bandgap and covalent bond John Chen42162016/08/30 17:18
by John Chen
Question about setting up angles in non-collinear DFTHung-Yu Yang11482016/08/30 16:30
by T. Ozaki
scf band calculations for different number of layersRohit31572016/08/29 14:39
by T. Ozaki
openmx3.7 errorzahra11802016/08/25 23:10
by Riemann
openmx3.8 errorzahra01532016/08/25 21:38
by zahra
There is a rigid shift toward negative energy in the band structure of MoS2 monolayerNadia Salami12082016/08/22 12:50
by T. Ozaki
Release of OpenMX Viewer Ver. 1.0T. Ozaki02302016/08/20 01:34
by T. Ozaki
Projected band structureRiemann63042016/08/19 15:45
by Riemann
Projected Bandstructure with Unfolding MethodRiemann62822016/08/17 03:44
by Riemann
Error in making DosMainsaeid amjadian01672016/08/12 21:42
by saeid amjadian
question regarding to plot up-spin and down-spin bands in noncollinear DFT calculationsNadia Salami11982016/08/12 18:36
by T. Ozaki
STM by WSXMLida34192016/08/11 22:01
by T. Ozaki
Software for Density of state files ?Rohit11802016/08/10 16:01
by T. Ozaki
OpenMX3.8 installation problemYohei Ibe22332016/08/05 11:24
by Yohei Ibe
converting band file to GNUBAND,BANDDAT1 fileRG31632016/08/03 15:08
by T. Ozaki
version of intel compilerSung12162016/08/03 13:31
by T. Ozaki
Reduce timing of NEGF for AlHiroya Nakata11692016/08/02 17:15
by Artem Pulkin
problems with plotting the band structure.Rohit Goel12012016/07/29 16:23
by Rohit Goel
Band unfolding for supercells with additional atomsNikolai Zaitsev22252016/07/28 21:25
by Nikolai Zaitsev
Error in NEGFKeshav Raheja21932016/07/28 02:00
by Keshav Raheja
Incomplete NEGF run with correct transmission vs energy resultVipin Kumar32152016/07/26 19:42
by Artem Pulkin
Band Structure of Black phosphorousRohit Goel22302016/07/22 11:59
by Rohit Goel
PAOs of lead atoms can overlap only to the next nearest regionVipin Kumar102612016/07/18 20:18
by Vipin Kumar
Do the molecular orbitals obtained by openmx include the factor exp(ikr)?Xiangyang Peng22032016/07/14 18:25
by Xiangyang Peng
Phosphorene Real Space HmiltonianRiemann33262016/07/11 22:11
by Artem Pulkin
openmx 3.8 -runtest vs. openmx 3.7.10 -runtestPR22452016/07/07 23:34
by PR
runtest errorKazume NISHIDATE22412016/07/04 10:04
by T. Ozaki
Memory control in OpenMXArtem Pulkin11952016/07/04 09:58
by T. Ozaki
About MD.Fixed.XYZGuilherme Maia22242016/06/26 05:35
by Guilherme Maia
MP vs regular k-mesh - difference in band structureEike F. Schwier22192016/06/23 14:21
by Eike F. Schwier
How to deal with this errorLinus.Xing11822016/06/23 13:44
by T. Ozaki
is this Natural bond orbital (NBO) analysis for large-scale DFT calculation implemented in OpenMX3.8Linus.Xing12102016/06/23 13:39
by T. Ozaki
Exchange fieldRiemann11872016/06/23 13:37
by T. Ozaki
Different values for the Polarization for the same system!!Guilherme Maia12192016/06/23 13:21
by T. Ozaki
graphenSmart37062016/06/13 11:47
by Jane
The question about the output file of System.Name.mdXiangyang Peng42272016/06/08 01:10
by Xiangyang Peng
Openmx and mobilities and effective massesMosahhar12092016/06/05 11:25
by T. Ozaki
units in the band plotsPR12082016/06/05 11:22
by T. Ozaki
Using openmx with external pseudopotentialsDaniil134132016/06/05 00:11
by Daniil
Errors in installation of OpenMx3.7 and OpenMx3.8Hawson55072016/05/19 14:52
by T. Ozaki
How to calculate LaMnO3?Hiroya Nakata52862016/05/17 23:12
by hiroya
Question about Geometry Optimization Eike F. Schwier58692016/05/16 19:35
by Eike F. Schwier
gcc: errorAsadolla23012016/05/11 14:32
by asad
Release of OpenMX Ver. 3.8T. Ozaki55082016/05/06 10:56
by Mitsuaki Kawamura
Include spin orbit coupling but turn off magnetismHung-Yu Yang43342016/04/27 21:51
by Hung-Yu Yang
NPT molecular dynamicsWei Lai12322016/04/20 19:06
by T. Ozaki

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