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Topics Author Replies Views Last Modified
Problem about Mulliken population analysisduan25052016/10/16 23:12
by T. Ozaki
Analysis of NEGF resultsRohit24172016/10/16 22:31
by TO
PAOs for anionsDaniil14462016/10/16 22:09
by T. Ozaki
DIIS geometry optimizationNikhil25092016/10/16 21:55
by T. Ozaki
Bychkov-Rashba effect is dependent on the relative position of the system in the cell Dubois S.24862016/10/16 21:45
by T. Ozaki
alignment of band structure with vaccum levelRenato Borges Pontes24332016/10/16 19:03
by T. Ozaki
magnetic anisotropy energy calculated seems wrong!Shekoufe Khosravi24842016/10/16 19:01
by T. Ozaki
error on make TranMain with Ubuntu 14.04 LTSDiego04442016/10/05 07:00
by Diego
error on make DosMain with Ubuntu 14.04 LTSDiego04352016/10/05 06:57
by Diego
How Generate TranMain and DosMain package on OpenMX on Ubuntu 14.04 LTS?Diego Castillo V.03962016/10/04 03:27
by Diego Castillo V.
NEGF Calculation HangingPeter24092016/10/03 20:21
by Peter
Installation Manual of OpenMX 3.7.6-1 on Linux (Ubuntu 14.04 LTS)Diego Castillo07232016/09/29 03:25
by Diego Castillo
Installation Problem OpenMX 3.7Diego Castillo25722016/09/29 02:59
by Diego Castillo
Convergence Issue: Very High Value of UeleNikhil25832016/09/22 13:40
by Nikhil
installation error 3.8pavan choudary03542016/09/20 16:58
by pavan choudary
Installation 3.8Krishna24752016/09/10 19:06
by Krishna
Exchange coupling parameter program (jx)Joao Amaral68042016/09/06 16:58
by Hongkee Yoon
Error points in Band Structure of SrVO3Priya Dey14762016/09/04 21:05
by T. Ozaki
MBJLDASehoon Oh14662016/09/02 12:06
by T. Ozaki
Can openMX simulate few layer grapheneJohn Chen15092016/08/30 18:15
by Artem Pulkin
the question of bandgap and covalent bond John Chen45132016/08/30 17:18
by John Chen
Question about setting up angles in non-collinear DFTHung-Yu Yang14052016/08/30 16:30
by T. Ozaki
scf band calculations for different number of layersRohit34452016/08/29 14:39
by T. Ozaki
openmx3.7 errorzahra14972016/08/25 23:10
by Riemann
openmx3.8 errorzahra04362016/08/25 21:38
by zahra
There is a rigid shift toward negative energy in the band structure of MoS2 monolayerNadia Salami15212016/08/22 12:50
by T. Ozaki
Release of OpenMX Viewer Ver. 1.0T. Ozaki05652016/08/20 01:34
by T. Ozaki
Projected band structureRiemann68562016/08/19 15:45
by Riemann
Projected Bandstructure with Unfolding MethodRiemann67442016/08/17 03:44
by Riemann
Error in making DosMainsaeid amjadian04232016/08/12 21:42
by saeid amjadian
question regarding to plot up-spin and down-spin bands in noncollinear DFT calculationsNadia Salami15172016/08/12 18:36
by T. Ozaki
STM by WSXMLida38712016/08/11 22:01
by T. Ozaki
Software for Density of state files ?Rohit14342016/08/10 16:01
by T. Ozaki
OpenMX3.8 installation problemYohei Ibe26102016/08/05 11:24
by Yohei Ibe
converting band file to GNUBAND,BANDDAT1 fileRG34982016/08/03 15:08
by T. Ozaki
version of intel compilerSung15172016/08/03 13:31
by T. Ozaki
Reduce timing of NEGF for AlHiroya Nakata15312016/08/02 17:15
by Artem Pulkin
problems with plotting the band structure.Rohit Goel15632016/07/29 16:23
by Rohit Goel
Band unfolding for supercells with additional atomsNikolai Zaitsev25962016/07/28 21:25
by Nikolai Zaitsev
Error in NEGFKeshav Raheja25482016/07/28 02:00
by Keshav Raheja
Incomplete NEGF run with correct transmission vs energy resultVipin Kumar35982016/07/26 19:42
by Artem Pulkin
Band Structure of Black phosphorousRohit Goel25782016/07/22 11:59
by Rohit Goel
PAOs of lead atoms can overlap only to the next nearest regionVipin Kumar106432016/07/18 20:18
by Vipin Kumar
Do the molecular orbitals obtained by openmx include the factor exp(ikr)?Xiangyang Peng25352016/07/14 18:25
by Xiangyang Peng
Phosphorene Real Space HmiltonianRiemann37092016/07/11 22:11
by Artem Pulkin
openmx 3.8 -runtest vs. openmx 3.7.10 -runtestPR25992016/07/07 23:34
by PR
runtest errorKazume NISHIDATE25762016/07/04 10:04
by T. Ozaki
Memory control in OpenMXArtem Pulkin15022016/07/04 09:58
by T. Ozaki
About MD.Fixed.XYZGuilherme Maia24982016/06/26 05:35
by Guilherme Maia
MP vs regular k-mesh - difference in band structureEike F. Schwier25232016/06/23 14:21
by Eike F. Schwier

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