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Topics Author Replies Views Last Modified
drPeter Brodnicki13512017/01/21 01:56
by Artem Pulkin
SCF not converged in Non-linear DFT calculationXiaoqing Liang03402017/01/19 07:25
by Xiaoqing Liang
convergenceamir03682017/01/18 04:48
by amir
found an overcomplete basis setJohn Sham03932017/01/10 12:06
by John Sham
Bulk TransmissionDavid24992017/01/07 10:49
by David
Convergence of NEGF in heterostructure S Dechamps64802017/01/05 20:16
by S Dechamps
What is the unit for Kohn-Sham potential in the output file *.vhart.cube and *.v0.cubechen13422017/01/03 18:01
by Artem Pulkin
charge,spin (current densities)Pavan choudary14912016/12/26 21:55
by Mitsuaki Kawamura
IV curve GrapheneMia 16242016/12/26 17:55
by T. Ozaki
crystallographic directionsJulio Aguiar14342016/12/26 17:32
by T. Ozaki
about MAELuca 13822016/12/26 17:26
by T. Ozaki
ErrorSaeid Amjadian03722016/11/20 12:37
by Saeid Amjadian
Non-equlibriumAdalicia14812016/11/18 18:30
by Artem Pulkin
Initial Charge DensitiesClarke95652016/11/15 15:29
by Clarke
Convergence of NEGF for defective GNRsS Dechamps67132016/11/10 20:07
by S Dechamps
how to match the DOS of NEGF with The transmission Pavan choudary34402016/11/09 17:28
by Pavan choudary
Patch 3.8.1 to OpenMX Ver. 3.8T. Ozaki04612016/10/21 15:50
by T. Ozaki
Manual setting of occupation numbersJan-Niclas85452016/10/20 17:22
by T. Ozaki
Implementation of EDM using the continued fraction representation of Fermi functionAri Ojanperä14502016/10/18 00:07
by T. Ozaki
Problem about Mulliken population analysisduan25382016/10/16 23:12
by T. Ozaki
Analysis of NEGF resultsRohit24332016/10/16 22:31
by TO
PAOs for anionsDaniil14622016/10/16 22:09
by T. Ozaki
DIIS geometry optimizationNikhil25442016/10/16 21:55
by T. Ozaki
Bychkov-Rashba effect is dependent on the relative position of the system in the cell Dubois S.25092016/10/16 21:45
by T. Ozaki
alignment of band structure with vaccum levelRenato Borges Pontes24532016/10/16 19:03
by T. Ozaki
magnetic anisotropy energy calculated seems wrong!Shekoufe Khosravi25062016/10/16 19:01
by T. Ozaki
error on make TranMain with Ubuntu 14.04 LTSDiego04782016/10/05 07:00
by Diego
error on make DosMain with Ubuntu 14.04 LTSDiego04632016/10/05 06:57
by Diego
How Generate TranMain and DosMain package on OpenMX on Ubuntu 14.04 LTS?Diego Castillo V.04162016/10/04 03:27
by Diego Castillo V.
NEGF Calculation HangingPeter24272016/10/03 20:21
by Peter
Installation Manual of OpenMX 3.7.6-1 on Linux (Ubuntu 14.04 LTS)Diego Castillo08052016/09/29 03:25
by Diego Castillo
Installation Problem OpenMX 3.7Diego Castillo25992016/09/29 02:59
by Diego Castillo
Convergence Issue: Very High Value of UeleNikhil26182016/09/22 13:40
by Nikhil
installation error 3.8pavan choudary03712016/09/20 16:58
by pavan choudary
Installation 3.8Krishna25012016/09/10 19:06
by Krishna
Exchange coupling parameter program (jx)Joao Amaral68452016/09/06 16:58
by Hongkee Yoon
Error points in Band Structure of SrVO3Priya Dey14972016/09/04 21:05
by T. Ozaki
MBJLDASehoon Oh14822016/09/02 12:06
by T. Ozaki
Can openMX simulate few layer grapheneJohn Chen15272016/08/30 18:15
by Artem Pulkin
the question of bandgap and covalent bond John Chen45372016/08/30 17:18
by John Chen
Question about setting up angles in non-collinear DFTHung-Yu Yang14212016/08/30 16:30
by T. Ozaki
scf band calculations for different number of layersRohit34652016/08/29 14:39
by T. Ozaki
openmx3.7 errorzahra15142016/08/25 23:10
by Riemann
openmx3.8 errorzahra04592016/08/25 21:38
by zahra
There is a rigid shift toward negative energy in the band structure of MoS2 monolayerNadia Salami15402016/08/22 12:50
by T. Ozaki
Release of OpenMX Viewer Ver. 1.0T. Ozaki05952016/08/20 01:34
by T. Ozaki
Projected band structureRiemann69222016/08/19 15:45
by Riemann
Projected Bandstructure with Unfolding MethodRiemann68072016/08/17 03:44
by Riemann
Error in making DosMainsaeid amjadian04372016/08/12 21:42
by saeid amjadian
question regarding to plot up-spin and down-spin bands in noncollinear DFT calculationsNadia Salami15452016/08/12 18:36
by T. Ozaki

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