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Topics Author Replies Views Last Modified
Node in Be 2s wavefunctionDario Mitnik011932012/11/22 23:48
by Dario Mitnik
problem with 'Automatic Running Test"Surender125882012/11/12 23:21
by 10412009
Input file creation for my moleculeskannan011242012/11/07 05:53
by kannan
Input file for BismuthMehmood011702012/11/06 21:54
by Mehmood
Error: TRAN_Calc_SurfGreen in NEGF calculationjahanbin011662012/11/05 15:52
by jahanbin
Force on the nucleus of an atom under the external electric fieldH214552012/10/29 01:41
by H
Problem with Copper hard pseudopotentialAlfonso216562012/10/20 00:52
by Alfonso
overlap probleme in negf calculationsJahanbin014332012/10/15 04:36
by Jahanbin
Installation problemNourdine 1276842012/09/27 11:31
by Anant
NEGF calculation using restartP013162012/09/25 01:59
by P
Pseudopotential vps fileKwangwoo213422012/09/24 16:47
by Kwangwoo
How to calculate <Sx>, <Sy> and <Sz> with Open-MxJos&#233; Eduardo Padilha147002012/09/23 18:33
by T.Ozaki
erro: NEGF calculation with different right and left lead wang118442012/09/23 17:00
by wang
band structure of YNIDRIS116282012/09/11 07:28
by T.Ozaki
GaAs DOS Dariusz Chrobak420832012/09/10 23:55
by T.Ozaki
Gate voltage reference for NEGF transport calculationsP 216692012/09/10 21:29
by P
same PAOsJulio Aguiar414802012/09/03 23:59
by Julio Aguiar
Silicon cd force calculationsDariusz Chrobak224272012/08/29 18:34
by Dariusz Chrobak
installation with openmpisanjeev112802012/08/28 17:44
by T. Ozaki
Unit using in exchange coupling parameter Pui-Wai Ma13212012/08/28 17:42
by T. Ozaki
scf.KgridVikas Sharma121642012/08/28 16:20
by T.Ozaki
Some question about small cluster calculationssanjeev116962012/08/28 16:16
by T.Ozaki
Ca lattice constantSang224532012/07/29 06:22
by Sang
Large Dipole MomentSomesh Bhattacharya217192012/07/25 13:55
by Somesh Bhattacharya
Post complilation problemMosahhar217282012/07/25 05:51
by Mosahhar
Calculation timeDmitry115792012/07/25 00:51
by T.Ozaki
The exact meaning of the natn arrayKonstantin Khromov112472012/07/21 09:40
by T.Ozaki
NEGFLida114642012/07/21 09:31
by T.Ozaki
Log. derivs fail to converge in ADPACKGrigory Shamov113692012/07/21 09:29
by T.Ozaki
Tips on Compilation of OpenMX in POWER7 machinesT.Ohwaki017522012/07/05 11:58
by T.Ohwaki
Murnaghan equation fit code questionRyan123132012/07/03 13:29
by Anita
openmx testrun resultsmarius528392012/07/02 15:37
by Somesh Bhattacharya
What states of the d-orbitals correspond to the numbers (d1〜5) in output files?Yasutaka Nishida225412012/06/06 13:07
by Yasutaka Nishida
Correction of manual (ESM method)T.Ohwaki013442012/05/24 16:56
by T.Ohwaki
About platform.mt218162012/05/19 20:35
by Mohamed Khalfallah
restart of NEGF stepmarius013582012/04/11 19:28
by marius
How to Write Wavefunction zhe118392012/04/03 21:26
by T. Ozaki
how to calculate the equilibrium lattice constants (New to OPENMX)Raf119772012/03/30 14:59
by JH Parq
Problems with Transport CalculationTamal Goswami627092012/03/28 22:28
by Tamal Goswami
ADPAC 2.2 vs 2.2 input differences?Grigory Shamov319762012/03/24 03:00
by Grigory Shamov
Calculation of magnetic anisotropyjlrch122192012/03/23 08:35
by T. Ozaki
A question about Restart filesKun Jiang113422012/03/23 08:30
by T. Ozaki
electrostatic PotentialDan113462012/03/23 08:27
by T. Ozaki
EXXJohnTse112512012/03/23 08:23
by T. Ozaki
GaAs test having discrepanciesGrigory Shamov113182012/03/23 03:19
by Grigory Shamov
problem with parallel runningDavid339432012/03/17 17:29
by Johny Tang
Size of basis setjlrch114802012/03/10 16:08
by Larry Fried
How to specify contracted basisLarry Fried120742012/03/10 09:18
by Larry Fried
is the example "MnO" in work folder of openmx 3.6 for fcc structure or rhombohedral? jam011092012/02/24 15:13
by jam
Installation procedure of openmx3.6 in CentOS 6.0 or 5.x: step by stepReda Boufatah 123032012/02/15 23:33
by Abdelouahab

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