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Topics Author Replies Views Last Modified
Force on the nucleus of an atom under the external electric fieldH213162012/10/29 01:41
by H
Problem with Copper hard pseudopotentialAlfonso215212012/10/20 00:52
by Alfonso
overlap probleme in negf calculationsJahanbin012822012/10/15 04:36
by Jahanbin
Installation problemNourdine 1272042012/09/27 11:31
by Anant
NEGF calculation using restartP011732012/09/25 01:59
by P
Pseudopotential vps fileKwangwoo212032012/09/24 16:47
by Kwangwoo
How to calculate <Sx>, <Sy> and <Sz> with Open-MxJos&#233; Eduardo Padilha139752012/09/23 18:33
by T.Ozaki
erro: NEGF calculation with different right and left lead wang116642012/09/23 17:00
by wang
band structure of YNIDRIS115062012/09/11 07:28
by T.Ozaki
GaAs DOS Dariusz Chrobak418922012/09/10 23:55
by T.Ozaki
Gate voltage reference for NEGF transport calculationsP 215272012/09/10 21:29
by P
same PAOsJulio Aguiar413452012/09/03 23:59
by Julio Aguiar
Silicon cd force calculationsDariusz Chrobak223012012/08/29 18:34
by Dariusz Chrobak
installation with openmpisanjeev111562012/08/28 17:44
by T. Ozaki
Unit using in exchange coupling parameter Pui-Wai Ma1902012/08/28 17:42
by T. Ozaki
scf.KgridVikas Sharma119812012/08/28 16:20
by T.Ozaki
Some question about small cluster calculationssanjeev115632012/08/28 16:16
by T.Ozaki
Ca lattice constantSang223002012/07/29 06:22
by Sang
Large Dipole MomentSomesh Bhattacharya215592012/07/25 13:55
by Somesh Bhattacharya
Post complilation problemMosahhar215932012/07/25 05:51
by Mosahhar
Calculation timeDmitry114542012/07/25 00:51
by T.Ozaki
The exact meaning of the natn arrayKonstantin Khromov111282012/07/21 09:40
by T.Ozaki
NEGFLida113092012/07/21 09:31
by T.Ozaki
Log. derivs fail to converge in ADPACKGrigory Shamov112542012/07/21 09:29
by T.Ozaki
Tips on Compilation of OpenMX in POWER7 machinesT.Ohwaki016392012/07/05 11:58
by T.Ohwaki
Murnaghan equation fit code questionRyan121742012/07/03 13:29
by Anita
openmx testrun resultsmarius526572012/07/02 15:37
by Somesh Bhattacharya
What states of the d-orbitals correspond to the numbers (d1〜5) in output files?Yasutaka Nishida223402012/06/06 13:07
by Yasutaka Nishida
Correction of manual (ESM method)T.Ohwaki012132012/05/24 16:56
by T.Ohwaki
About platform.mt216812012/05/19 20:35
by Mohamed Khalfallah
restart of NEGF stepmarius012282012/04/11 19:28
by marius
How to Write Wavefunction zhe117002012/04/03 21:26
by T. Ozaki
how to calculate the equilibrium lattice constants (New to OPENMX)Raf118282012/03/30 14:59
by JH Parq
Problems with Transport CalculationTamal Goswami625192012/03/28 22:28
by Tamal Goswami
ADPAC 2.2 vs 2.2 input differences?Grigory Shamov318552012/03/24 03:00
by Grigory Shamov
Calculation of magnetic anisotropyjlrch120702012/03/23 08:35
by T. Ozaki
A question about Restart filesKun Jiang112202012/03/23 08:30
by T. Ozaki
electrostatic PotentialDan112072012/03/23 08:27
by T. Ozaki
EXXJohnTse111172012/03/23 08:23
by T. Ozaki
GaAs test having discrepanciesGrigory Shamov111932012/03/23 03:19
by Grigory Shamov
problem with parallel runningDavid331932012/03/17 17:29
by Johny Tang
Size of basis setjlrch113272012/03/10 16:08
by Larry Fried
How to specify contracted basisLarry Fried118962012/03/10 09:18
by Larry Fried
is the example "MnO" in work folder of openmx 3.6 for fcc structure or rhombohedral? jam09992012/02/24 15:13
by jam
Installation procedure of openmx3.6 in CentOS 6.0 or 5.x: step by stepReda Boufatah 121532012/02/15 23:33
by Abdelouahab
Error when single atom system, scf.EigenvalueSolver is BandA. M. Ito142292012/01/21 04:15
by A. M. Ito
Errors after building OpenMX, illegal value info=-3 in dstevx_Grigory Shamov114072012/01/19 03:05
by Grigory Shamov
how to calculate and plot Projected Bulk Band StructureZhe022782012/01/16 19:12
by Zhe
A question about the momentum matrix elements calculationHung-Lung Huang362972012/01/04 18:31
by Sajad Ahmad
ask for VPS and PAO of Ce and Irchen011542012/01/04 06:37
by chen

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