User contributions for Karsai
23 March 2020
- 10:1510:15, 23 March 2020 diff hist −14 VCAIMAGES No edit summary
- 09:2609:26, 23 March 2020 diff hist +17 CH NEDOS No edit summary
- 09:2609:26, 23 March 2020 diff hist +68 CH NEDOS No edit summary
- 09:2609:26, 23 March 2020 diff hist +85 CH SIGMA No edit summary
- 09:2509:25, 23 March 2020 diff hist −4 CH LSPEC No edit summary
- 09:2509:25, 23 March 2020 diff hist −29 CH LSPEC No edit summary
- 09:2509:25, 23 March 2020 diff hist +88 CH LSPEC No edit summary
- 07:5207:52, 23 March 2020 diff hist +321 VCAIMAGES No edit summary
- 07:4807:48, 23 March 2020 diff hist −127 VCAIMAGES No edit summary
- 07:4207:42, 23 March 2020 diff hist +334 VCAIMAGES No edit summary
- 07:3707:37, 23 March 2020 diff hist +411 VCAIMAGES No edit summary
20 March 2020
- 17:1417:14, 20 March 2020 diff hist +146 NCORE IN IMAGE1 No edit summary
- 17:1217:12, 20 March 2020 diff hist +120 VCAIMAGES No edit summary
- 17:0817:08, 20 March 2020 diff hist +26 VCAIMAGES No edit summary
- 17:0617:06, 20 March 2020 diff hist +84 VCAIMAGES No edit summary
- 17:0517:05, 20 March 2020 diff hist −1 VCAIMAGES No edit summary
- 17:0517:05, 20 March 2020 diff hist +83 VCAIMAGES No edit summary
- 17:0417:04, 20 March 2020 diff hist +160 NCORE IN IMAGE1 No edit summary
- 16:5716:57, 20 March 2020 diff hist +198 N NCORE IN IMAGE1 Created page with "{{TAGDEF|NCORE_IN_IMAGE1|[integer]|0}} Description: == Related Tags and Sections == {{TAG|VCAIMAGES}} ---- Category:INCARCategory:Molecular DynamicsCategory:Ther..."
- 16:5416:54, 20 March 2020 diff hist 0 Category:Thermodynamic integration No edit summary
- 16:5416:54, 20 March 2020 diff hist +82 Category:Thermodynamic integration No edit summary
- 16:5216:52, 20 March 2020 diff hist +69 N Category:Thermodynamic integration Created page with "This category contains all tags related to thermodynamic integration."
- 16:5116:51, 20 March 2020 diff hist +10 Category:Molecular Dynamics No edit summary current
- 16:5116:51, 20 March 2020 diff hist +58 VCAIMAGES No edit summary
- 16:4916:49, 20 March 2020 diff hist +150 VCAIMAGES No edit summary
- 16:4516:45, 20 March 2020 diff hist +93 N VCAIMAGES Created page with "---- Category:INCARCategory:Molecular DynamicsCategory:Thermodynamic integration"
12 March 2020
- 15:4115:41, 12 March 2020 diff hist +84 Category:Molecular Dynamics →How to
2 March 2020
- 07:5307:53, 2 March 2020 diff hist +445 Category:XAS No edit summary
- 07:4407:44, 2 March 2020 diff hist −29 Category:XAS No edit summary
- 07:4307:43, 2 March 2020 diff hist 0 Template:Cite No edit summary
29 February 2020
- 15:2815:28, 29 February 2020 diff hist +41 Template:Cite No edit summary
- 15:2215:22, 29 February 2020 diff hist +19 ML WTSIF No edit summary
- 15:2215:22, 29 February 2020 diff hist +19 ML WTOTEN No edit summary
- 15:2215:22, 29 February 2020 diff hist +19 ML WTIFOR No edit summary
- 15:2215:22, 29 February 2020 diff hist +19 ML W1 No edit summary
- 15:2215:22, 29 February 2020 diff hist +19 ML SION2 No edit summary
- 15:2215:22, 29 February 2020 diff hist +19 ML SION1 No edit summary
- 15:2215:22, 29 February 2020 diff hist +19 ML SIGW0 No edit summary
- 15:2215:22, 29 February 2020 diff hist +19 ML SIGV0 No edit summary
- 15:2115:21, 29 February 2020 diff hist +19 ML RCUT2 No edit summary
- 15:2115:21, 29 February 2020 diff hist +19 ML RCUT1 No edit summary
- 15:2115:21, 29 February 2020 diff hist +19 ML RCOUPLE No edit summary
- 15:2015:20, 29 February 2020 diff hist +19 ML NMDINT No edit summary
- 15:2015:20, 29 February 2020 diff hist +19 ML NHYP No edit summary
- 15:2015:20, 29 February 2020 diff hist +19 ML NATOM COUPLED No edit summary
- 15:1915:19, 29 February 2020 diff hist +19 ML MRB2 No edit summary
- 15:1915:19, 29 February 2020 diff hist +19 ML MRB1 No edit summary
- 15:1915:19, 29 February 2020 diff hist +19 ML MHIS No edit summary
- 15:1915:19, 29 February 2020 diff hist +19 ML MCONF NEW No edit summary
- 15:1915:19, 29 February 2020 diff hist +19 ML MCONF No edit summary
- 15:1915:19, 29 February 2020 diff hist +19 ML MB No edit summary
- 15:1815:18, 29 February 2020 diff hist +19 ML LMAX2 No edit summary
- 15:1815:18, 29 February 2020 diff hist +19 ML LHEAT No edit summary
- 15:1815:18, 29 February 2020 diff hist +19 ML LEATOM No edit summary
- 15:1815:18, 29 February 2020 diff hist +19 ML ICRITERIA No edit summary
- 15:1815:18, 29 February 2020 diff hist +19 ML LCOUPLE No edit summary
- 15:1715:17, 29 February 2020 diff hist +19 ML LAFILT2 No edit summary
- 15:1715:17, 29 February 2020 diff hist +19 ML IWEIGHT No edit summary
- 15:1715:17, 29 February 2020 diff hist +19 ML ISTART No edit summary
- 15:1715:17, 29 February 2020 diff hist +19 ML ISCALE TOTEN No edit summary
- 15:1615:16, 29 February 2020 diff hist +19 ML IREG No edit summary
- 15:1615:16, 29 February 2020 diff hist +19 ML ICOUPLE No edit summary
- 15:1515:15, 29 February 2020 diff hist +19 ML IAFILT2 No edit summary
- 15:1515:15, 29 February 2020 diff hist +19 ML EATOM REF No edit summary
- 15:1515:15, 29 February 2020 diff hist +19 ML CTIFOR No edit summary
- 15:1515:15, 29 February 2020 diff hist +19 ML CSLOPE No edit summary
- 15:1515:15, 29 February 2020 diff hist +19 ML CSIG No edit summary
- 15:1415:14, 29 February 2020 diff hist +19 ML CDOUB No edit summary
- 15:1415:14, 29 February 2020 diff hist +19 ML AFILT2 No edit summary
26 February 2020
- 15:1315:13, 26 February 2020 diff hist +18 Construction:Machine learning force field calculations: Intermediate No edit summary
- 15:1315:13, 26 February 2020 diff hist +18 ML HEAT No edit summary
- 15:1315:13, 26 February 2020 diff hist +144 ML HEAT No edit summary
- 15:1015:10, 26 February 2020 diff hist +118 ML EATOM No edit summary
- 15:0815:08, 26 February 2020 diff hist +146 ML EATOM No edit summary
- 15:0615:06, 26 February 2020 diff hist +18 ML FFN No edit summary
- 15:0615:06, 26 February 2020 diff hist +18 ML HIS No edit summary
- 15:0615:06, 26 February 2020 diff hist +133 ML HIS No edit summary
- 14:5914:59, 26 February 2020 diff hist +122 ML REG No edit summary
- 14:5814:58, 26 February 2020 diff hist +18 ML REG No edit summary
- 14:5814:58, 26 February 2020 diff hist +18 ML ABN No edit summary
- 14:5814:58, 26 February 2020 diff hist +18 ML LOGFILE No edit summary
- 14:5714:57, 26 February 2020 diff hist +18 ML FF No edit summary
- 14:5714:57, 26 February 2020 diff hist +18 ML AB No edit summary
- 14:5214:52, 26 February 2020 diff hist +19 ML LMLFF No edit summary
17 February 2020
- 14:1814:18, 17 February 2020 diff hist 0 ML MB No edit summary
30 January 2020
- 17:5517:55, 30 January 2020 diff hist −18 Molecular dynamics calculations No edit summary
- 17:5117:51, 30 January 2020 diff hist +31 Biased molecular dynamics →Nose-Hoover thermostat
- 17:5117:51, 30 January 2020 diff hist +31 Biased molecular dynamics →Andersen thermostat
- 17:4917:49, 30 January 2020 diff hist +31 Metadynamics →Nose-Hoover thermostat
- 17:4917:49, 30 January 2020 diff hist +31 Metadynamics →Anderson thermostat
- 11:0611:06, 30 January 2020 diff hist −18 ML LOGFILE No edit summary
- 11:0611:06, 30 January 2020 diff hist −18 ML HEAT No edit summary
- 11:0611:06, 30 January 2020 diff hist −18 ML WTOTEN No edit summary
- 11:0611:06, 30 January 2020 diff hist −18 ML WTIFOR No edit summary
- 11:0511:05, 30 January 2020 diff hist −18 ML W1 No edit summary
- 11:0511:05, 30 January 2020 diff hist −18 ML SION2 No edit summary
- 11:0511:05, 30 January 2020 diff hist −18 ML SION1 No edit summary
- 11:0411:04, 30 January 2020 diff hist −18 ML SIGW0 No edit summary
- 11:0411:04, 30 January 2020 diff hist −18 ML SIGV0 No edit summary
- 11:0311:03, 30 January 2020 diff hist −18 ML RCUT2 No edit summary
- 11:0311:03, 30 January 2020 diff hist −18 ML RCUT1 No edit summary
- 11:0311:03, 30 January 2020 diff hist −18 ML RCOUPLE No edit summary
- 11:0211:02, 30 January 2020 diff hist −18 ML NMDINT No edit summary
- 11:0111:01, 30 January 2020 diff hist −18 ML NATOM COUPLED No edit summary
- 11:0011:00, 30 January 2020 diff hist −18 ML MRB2 No edit summary
- 11:0011:00, 30 January 2020 diff hist −18 ML MRB1 No edit summary
- 11:0011:00, 30 January 2020 diff hist +1 ML MHIS No edit summary
- 10:5910:59, 30 January 2020 diff hist −18 ML MHIS No edit summary
- 10:5910:59, 30 January 2020 diff hist −18 ML MCONF NEW No edit summary
- 10:5910:59, 30 January 2020 diff hist −24 ML MCONF No edit summary
- 10:5810:58, 30 January 2020 diff hist −18 ML MB No edit summary
- 10:5710:57, 30 January 2020 diff hist −18 ML LMAX2 No edit summary
- 10:5710:57, 30 January 2020 diff hist −18 ML LHEAT No edit summary
- 10:5610:56, 30 January 2020 diff hist −18 ML LEATOM No edit summary
- 10:5610:56, 30 January 2020 diff hist −18 ML ICRITERIA No edit summary
- 10:5610:56, 30 January 2020 diff hist −18 ML LCOUPLE No edit summary
- 10:5510:55, 30 January 2020 diff hist −18 ML LAFILT2 No edit summary
- 10:5410:54, 30 January 2020 diff hist −18 ML IWEIGHT No edit summary
- 10:5410:54, 30 January 2020 diff hist −27 ML ISTART No edit summary
- 10:5310:53, 30 January 2020 diff hist −18 ML ISCALE TOTEN No edit summary
- 10:5210:52, 30 January 2020 diff hist −18 ML IREG No edit summary
- 10:5110:51, 30 January 2020 diff hist −18 ML ICOUPLE No edit summary
- 10:5010:50, 30 January 2020 diff hist −18 ML IAFILT2 No edit summary
- 10:4910:49, 30 January 2020 diff hist −18 ML EATOM REF No edit summary
- 10:4910:49, 30 January 2020 diff hist +1 ML CTIFOR No edit summary
- 10:4910:49, 30 January 2020 diff hist −18 ML CSLOPE No edit summary
- 10:4910:49, 30 January 2020 diff hist −18 ML CSIG No edit summary
- 10:4810:48, 30 January 2020 diff hist −18 ML CDOUB No edit summary
- 10:4710:47, 30 January 2020 diff hist −18 ML AFILT2 No edit summary
- 10:4710:47, 30 January 2020 diff hist −18 ML EATOM No edit summary
- 10:4610:46, 30 January 2020 diff hist −18 Construction:Machine learning force field calculations: Intermediate →References
- 10:4510:45, 30 January 2020 diff hist −6 Construction:Machine learning force field calculations: Intermediate No edit summary
- 10:3910:39, 30 January 2020 diff hist −6 ML FFN No edit summary
- 10:3910:39, 30 January 2020 diff hist −3 ML FFN No edit summary
- 10:3810:38, 30 January 2020 diff hist −21 ML FF No edit summary
- 10:3810:38, 30 January 2020 diff hist +19 N ML FFCAR Karsai moved page ML FFCAR to ML FF current Tag: New redirect
- 10:3810:38, 30 January 2020 diff hist 0 m ML FF Karsai moved page ML FFCAR to ML FF
- 10:3810:38, 30 January 2020 diff hist −18 ML FFN No edit summary
- 10:3710:37, 30 January 2020 diff hist +20 N ML FFNCAR Karsai moved page ML FFNCAR to ML FFN current Tag: New redirect
- 10:3710:37, 30 January 2020 diff hist 0 m ML FFN Karsai moved page ML FFNCAR to ML FFN
- 10:3710:37, 30 January 2020 diff hist +20 N ML HISCAR Karsai moved page ML HISCAR to ML HIS current Tag: New redirect
- 10:3710:37, 30 January 2020 diff hist 0 m ML HIS Karsai moved page ML HISCAR to ML HIS
- 10:3710:37, 30 January 2020 diff hist −18 ML HIS No edit summary
- 10:3610:36, 30 January 2020 diff hist −18 ML REG No edit summary
- 10:3610:36, 30 January 2020 diff hist +20 N ML REGCAR Karsai moved page ML REGCAR to ML REG current Tag: New redirect
- 10:3610:36, 30 January 2020 diff hist 0 m ML REG Karsai moved page ML REGCAR to ML REG
- 10:3510:35, 30 January 2020 diff hist −36 ML AB No edit summary
- 10:3410:34, 30 January 2020 diff hist −30 ML ABN No edit summary
- 10:3310:33, 30 January 2020 diff hist +20 N ML ABNCAR Karsai moved page ML ABNCAR to ML ABN current Tag: New redirect
- 10:3310:33, 30 January 2020 diff hist 0 m ML ABN Karsai moved page ML ABNCAR to ML ABN
- 10:3310:33, 30 January 2020 diff hist −225 ML AB No edit summary
- 10:3210:32, 30 January 2020 diff hist +19 N ML ABCAR Karsai moved page ML ABCAR to ML AB current Tag: New redirect
- 10:3210:32, 30 January 2020 diff hist 0 m ML AB Karsai moved page ML ABCAR to ML AB
- 10:3110:31, 30 January 2020 diff hist +13 ML AB No edit summary
- 10:3010:30, 30 January 2020 diff hist −18 ML LMLFF No edit summary
- 10:2910:29, 30 January 2020 diff hist −2 MDALGO →Stochastic boundary conditions
- 07:3307:33, 30 January 2020 diff hist −4,253 MDALGO No edit summary
- 07:3107:31, 30 January 2020 diff hist +1,971 MDALGO →{{TAG|MDALGO}}=2: Nose-Hoover thermostat
- 07:2707:27, 30 January 2020 diff hist +1,996 MDALGO →{{TAG|MDALGO}}=1: Andersen thermostat
21 January 2020
- 13:0213:02, 21 January 2020 diff hist −5 Nuclephile Substitution CH3Cl - BM →{{TAG|INCAR}}
- 13:0113:01, 21 January 2020 diff hist −5 Nuclephile Substitution CH3Cl - BM →{{TAG|INCAR}}
- 13:0113:01, 21 January 2020 diff hist +11 Nuclephile Substitution CH3Cl - BM →{{TAG|INCAR}}
- 13:0113:01, 21 January 2020 diff hist −13 Nuclephile Substitution CH3Cl - BM No edit summary
- 13:0013:00, 21 January 2020 diff hist −9 Nuclephile Substitution CH3Cl - BM →{{TAG|KPOINTS}}
- 13:0013:00, 21 January 2020 diff hist +3 Nuclephile Substitution CH3Cl - BM →{{TAG|KPOINTS}}
- 12:5812:58, 21 January 2020 diff hist +2 Nuclephile Substitution CH3Cl - BM →{{TAG|KPOINTS}}
- 12:5712:57, 21 January 2020 diff hist +17 Nuclephile Substitution CH3Cl - BM →{{TAG|KPOINTS}}
- 12:5012:50, 21 January 2020 diff hist −1,196 Nuclephile Substitution CH3Cl - BM No edit summary
- 12:4812:48, 21 January 2020 diff hist +1,095 Nuclephile Substitution CH3Cl - BM No edit summary
- 12:4712:47, 21 January 2020 diff hist +21 Nuclephile Substitution CH3Cl - BM →{{TAG|INCAR}}
- 12:4612:46, 21 January 2020 diff hist +10 Nuclephile Substitution CH3Cl - BM →{{TAG|INCAR}}
20 January 2020
- 14:3714:37, 20 January 2020 diff hist +24 PENALTYPOT No edit summary
15 January 2020
- 07:4807:48, 15 January 2020 diff hist −46 ML IREG No edit summary
3 January 2020
- 12:2312:23, 3 January 2020 diff hist 0 ML ISCALE TOTEN No edit summary
- 12:1812:18, 3 January 2020 diff hist +235 ML LOGFILE No edit summary
- 11:5611:56, 3 January 2020 diff hist +41 ML LOGFILE No edit summary
- 11:5511:55, 3 January 2020 diff hist −3 ML AB No edit summary
- 11:5511:55, 3 January 2020 diff hist 0 ML AB No edit summary
- 11:5511:55, 3 January 2020 diff hist +331 ML AB No edit summary
2 January 2020
- 15:3715:37, 2 January 2020 diff hist +377 ML FFN No edit summary
- 15:3315:33, 2 January 2020 diff hist 0 ML FF No edit summary
- 15:3115:31, 2 January 2020 diff hist +352 ML FF No edit summary
13 December 2019
- 08:4108:41, 13 December 2019 diff hist +1 ML NHYP No edit summary
- 08:4008:40, 13 December 2019 diff hist +70 ML NHYP No edit summary
- 08:3708:37, 13 December 2019 diff hist +6 ML MCONF No edit summary
- 08:3708:37, 13 December 2019 diff hist +97 ML MB No edit summary
- 08:3608:36, 13 December 2019 diff hist +23 ML MB No edit summary
- 08:2908:29, 13 December 2019 diff hist +9 ML ISTART No edit summary
2 December 2019
- 13:1613:16, 2 December 2019 diff hist +21 ML SIGW0 No edit summary
- 13:1613:16, 2 December 2019 diff hist +78 ML SIGW0 No edit summary
- 13:1513:15, 2 December 2019 diff hist +25 ML SIGV0 No edit summary
- 13:1513:15, 2 December 2019 diff hist +93 ML SIGV0 No edit summary
29 November 2019
- 17:5517:55, 29 November 2019 diff hist 0 ML ISCALE TOTEN No edit summary
18 November 2019
- 12:1912:19, 18 November 2019 diff hist −29 LNONCOLLINEAR →Related Tags and Sections
- 12:1812:18, 18 November 2019 diff hist −192 The VASP Manual →Support
14 November 2019
- 15:0115:01, 14 November 2019 diff hist −127 Constraining the local magnetic moments No edit summary
- 15:0115:01, 14 November 2019 diff hist 0 N File:Nio constr.tgz No edit summary current
- 14:3914:39, 14 November 2019 diff hist −29 Lectures and presentations No edit summary current
- 14:3814:38, 14 November 2019 diff hist 0 N File:VASP lecture RPA.pdf No edit summary current
- 14:3614:36, 14 November 2019 diff hist 0 N File:VASP lecture Basics2.pdf No edit summary current
- 14:3214:32, 14 November 2019 diff hist −297 Lectures and presentations No edit summary
- 14:3214:32, 14 November 2019 diff hist 0 N File:VASP lecture NMR.pdf No edit summary current
- 14:3114:31, 14 November 2019 diff hist 0 N File:VASP lecture HPC.pdf No edit summary current
- 14:3014:30, 14 November 2019 diff hist 0 N File:VASP lecture BSE.pdf No edit summary
- 14:2914:29, 14 November 2019 diff hist 0 N File:VASP lecture Basics3.pdf No edit summary current
- 14:2714:27, 14 November 2019 diff hist −99 VASP workshop No edit summary current
- 14:2514:25, 14 November 2019 diff hist 0 N File:VASP lecture Dielectric.pdf No edit summary current
- 14:2514:25, 14 November 2019 diff hist 0 N File:VASP lecture Hybrids.pdf No edit summary current
- 14:2514:25, 14 November 2019 diff hist −33 VASP workshop No edit summary
- 14:2414:24, 14 November 2019 diff hist 0 N File:VASP lecture Basics.pdf No edit summary current
- 14:2114:21, 14 November 2019 diff hist −44 XANES in Diamond →References
- 14:2114:21, 14 November 2019 diff hist −33 XANES in Diamond →Download
- 14:2014:20, 14 November 2019 diff hist −44 Vibrational frequencies of CO on Ni 111 surface →Download current
- 14:2014:20, 14 November 2019 diff hist −33 Transition State Search of Ammonia No edit summary current
- 14:2014:20, 14 November 2019 diff hist 0 N File:Ammonia flipping.tgz No edit summary current
- 14:1914:19, 14 November 2019 diff hist −34 Transition State Search of Ammonia No edit summary
- 14:1914:19, 14 November 2019 diff hist 0 N File:Tutorial ammonia flipping.pdf No edit summary current
- 14:1914:19, 14 November 2019 diff hist −44 STM of graphite →Download current
- 14:1814:18, 14 November 2019 diff hist −44 STM of graphene →Download current
- 14:1814:18, 14 November 2019 diff hist −44 Spin-orbit coupling in a Ni monolayer →Download current
- 14:1814:18, 14 November 2019 diff hist −44 Spin-orbit coupling in a Fe monolayer →Download current
- 14:1814:18, 14 November 2019 diff hist −127 Si HSE bandstructure →Download current
- 14:1714:17, 14 November 2019 diff hist 0 N File:Si HSE band.tgz No edit summary
- 14:1714:17, 14 November 2019 diff hist −44 Si bandstructure →Download current
- 14:1714:17, 14 November 2019 diff hist −43 Plotting the BSE fatband structure of Si →References current
- 14:1614:16, 14 November 2019 diff hist −44 Partial DOS of CO on Ni 111 surface →Download current
- 14:1614:16, 14 November 2019 diff hist −44 O dimer →Download current
- 14:1614:16, 14 November 2019 diff hist −44 O atom spinpolarized low symmetry →Download current
- 14:1614:16, 14 November 2019 diff hist −44 O atom spinpolarized →Download current
- 14:1214:12, 14 November 2019 diff hist −127 NiO HSE06 →Download
- 14:1214:12, 14 November 2019 diff hist 0 N File:Nio hse06.tgz No edit summary current
- 14:1014:10, 14 November 2019 diff hist −127 NiO GGA+U →Download
- 14:1014:10, 14 November 2019 diff hist 0 N File:Nio gga+u.tgz No edit summary current
- 14:0914:09, 14 November 2019 diff hist −127 NiO GGA →Download current
- 14:0914:09, 14 November 2019 diff hist 0 N File:Nio gga.tgz No edit summary current
- 14:0814:08, 14 November 2019 diff hist −44 NiO →Download current
- 13:5613:56, 14 November 2019 diff hist −44 Ni 111 surface relaxation →Download current
- 13:5513:55, 14 November 2019 diff hist −44 Ni 111 surface high precision →Download current
- 13:5513:55, 14 November 2019 diff hist −44 Ni 100 surface relaxation →Download current
- 13:5513:55, 14 November 2019 diff hist −44 Ni 100 surface DOS →Download current
- 13:5513:55, 14 November 2019 diff hist −43 Ni 100 surface bandstructure →Download current
- 13:5513:55, 14 November 2019 diff hist −44 MgO optimum mixing →Download
- 13:4713:47, 14 November 2019 diff hist −127 Including the Spin-Orbit Coupling →Download
- 13:4713:47, 14 November 2019 diff hist 0 N File:Nio SOC.tgz No edit summary current
- 13:4713:47, 14 November 2019 diff hist −45 Improving the dielectric function →References current
- 13:4613:46, 14 November 2019 diff hist −44 H2O vibration →Download current
- 13:4613:46, 14 November 2019 diff hist −238 H2O molecular dynamics →Download current
- 13:4613:46, 14 November 2019 diff hist −44 H2O →Download current
- 13:2513:25, 14 November 2019 diff hist −44 Graphite TS binding energy →References current
- 13:2513:25, 14 November 2019 diff hist −44 Graphite MBD binding energy →References current
- 13:2513:25, 14 November 2019 diff hist −44 Graphite interlayer distance →Download current
- 13:2513:25, 14 November 2019 diff hist −44 Fcc Si bandstructure →Download
- 13:2413:24, 14 November 2019 diff hist −44 Fcc Si DOS →Download current
- 13:2413:24, 14 November 2019 diff hist −44 Fcc Si →Download current
- 13:2413:24, 14 November 2019 diff hist −44 Fcc Ni DOS with hybrid functional →Download
- 13:2313:23, 14 November 2019 diff hist −127 Fcc Ni DOS →Download current
- 13:2313:23, 14 November 2019 diff hist 0 N File:2 8 fccNi dos.tgz No edit summary current
- 13:2213:22, 14 November 2019 diff hist −44 Fcc Ni (revisited) →Download
- 13:2213:22, 14 November 2019 diff hist −44 Fcc Ni →Download current
- 13:2213:22, 14 November 2019 diff hist −127 Estimation of J magnetic coupling →Download
- 13:2113:21, 14 November 2019 diff hist 0 N File:Nio Jcoupl.tgz No edit summary current
- 13:2113:21, 14 November 2019 diff hist −44 Equilibrium volume of Si in the RPA →Download current
- 13:2113:21, 14 November 2019 diff hist −43 Dielectric properties of SiC →Download current
- 13:2013:20, 14 November 2019 diff hist −42 Dielectric properties of Si using BSE →Download current
- 13:2013:20, 14 November 2019 diff hist −44 Dielectric properties of Si →Download current
- 13:2013:20, 14 November 2019 diff hist −127 Determining the Magnetic Anisotropy →Download
- 13:2013:20, 14 November 2019 diff hist 0 N File:Nio noSOC.tgz No edit summary current
- 13:1913:19, 14 November 2019 diff hist −43 CO partial DOS →Download current
- 13:1813:18, 14 November 2019 diff hist −44 CO →Download current
- 13:1813:18, 14 November 2019 diff hist −33 Calculate U for LSDA+U →Download
- 13:1713:17, 14 November 2019 diff hist 0 N File:NiO calcU.tgz No edit summary current
- 13:1713:17, 14 November 2019 diff hist −43 Calculate U for LSDA+U →References
- 13:1613:16, 14 November 2019 diff hist −43 At and mol further No edit summary current
- 13:1613:16, 14 November 2019 diff hist −127 Alpha-SiO2 →Download current
- 13:1513:15, 14 November 2019 diff hist 0 N File:SiO2 NMR.tgz No edit summary current
- 13:1513:15, 14 November 2019 diff hist −33 Alpha-AlF3 →Download current
- 13:1413:14, 14 November 2019 diff hist 0 N File:AlF3 NMR.tgz No edit summary current
- 13:1413:14, 14 November 2019 diff hist −94 Alpha-AlF3 →Download
- 13:1313:13, 14 November 2019 diff hist −34 Adsorption of H2O on TiO2 No edit summary current
- 13:1313:13, 14 November 2019 diff hist 0 N File:Tutorial h2o on tio2.pdf No edit summary current
- 13:0713:07, 14 November 2019 diff hist −33 Adsorption of H2O on TiO2 No edit summary
- 13:0613:06, 14 November 2019 diff hist 0 N File:H2o on tio2.tgz No edit summary current
- 10:0010:00, 14 November 2019 diff hist −66 Collective jumps of a Pt adatom on fcc-Pt (001): Nudged Elastic Band Calculation →Downloads current
- 10:0010:00, 14 November 2019 diff hist 0 N File:Pt NEB fast.tgz No edit summary current
- 09:5909:59, 14 November 2019 diff hist 0 N File:Pt NEB.tgz No edit summary current
- 09:5909:59, 14 November 2019 diff hist −33 STM of graphene →Download
- 09:5909:59, 14 November 2019 diff hist −33 STM of graphite →Download
- 09:5809:58, 14 November 2019 diff hist 0 N File:Graphene STM.tgz No edit summary current
- 09:5809:58, 14 November 2019 diff hist 0 N File:Graphite STM.tgz No edit summary current
- 09:5809:58, 14 November 2019 diff hist −33 Vibrational frequencies of CO on Ni 111 surface →Download
- 09:5709:57, 14 November 2019 diff hist 0 N File:COonNi111 freq.tgz No edit summary current
- 09:5709:57, 14 November 2019 diff hist −33 Partial DOS of CO on Ni 111 surface →Download
- 09:5709:57, 14 November 2019 diff hist 0 N File:COonNi111 LDOS.tgz No edit summary current
- 09:5609:56, 14 November 2019 diff hist −33 Ni 111 surface high precision →Download
- 09:5609:56, 14 November 2019 diff hist 0 N File:Ni111clean 400eV.tgz No edit summary current
- 09:5509:55, 14 November 2019 diff hist −33 CO on Ni 111 surface →Download current
- 09:5509:55, 14 November 2019 diff hist 0 N File:COonNi111 rel.tgz No edit summary current
- 09:5409:54, 14 November 2019 diff hist −33 Ni 111 surface relaxation →Download
- 09:5409:54, 14 November 2019 diff hist 0 N File:Ni111clean rel.tgz No edit summary current
- 09:5309:53, 14 November 2019 diff hist −33 Ni 100 surface bandstructure →Download
- 09:5309:53, 14 November 2019 diff hist 0 N File:Ni100clean band.tgz No edit summary current
- 09:5309:53, 14 November 2019 diff hist −33 Ni 100 surface DOS →Download
- 09:5209:52, 14 November 2019 diff hist 0 N File:Ni100clean LDOS.tgz No edit summary current
- 09:5209:52, 14 November 2019 diff hist −33 Ni 100 surface relaxation →Download
- 09:5109:51, 14 November 2019 diff hist 0 N File:Ni100clean rel.tgz No edit summary current
- 09:5109:51, 14 November 2019 diff hist −33 Ionic contributions to the frequency dependent dielectric function of NaCl →Download
- 09:5009:50, 14 November 2019 diff hist 0 N File:NaCl dielectric.tgz No edit summary current
- 09:5009:50, 14 November 2019 diff hist −33 Dielectric properties of Si →Download
- 09:5009:50, 14 November 2019 diff hist 0 N File:Si dielectric.tgz No edit summary current
- 09:4909:49, 14 November 2019 diff hist −33 Dielectric properties of SiC →Download
- 09:4909:49, 14 November 2019 diff hist 0 N File:SiC dielectric.tgz No edit summary current
- 09:4609:46, 14 November 2019 diff hist −33 Nuclephile Substitution CH3Cl - BM →Download
- 09:4609:46, 14 November 2019 diff hist −33 Nuclephile Substitution CH3Cl - SG →Download
- 09:4509:45, 14 November 2019 diff hist −33 Nuclephile Substitution CH3Cl - mMD3 →Download
- 09:4509:45, 14 November 2019 diff hist −33 Nuclephile Substitution CH3Cl - mMD2 →Download current
- 09:4509:45, 14 November 2019 diff hist −33 Nuclephile Substitution CH3Cl - mMD1 →Download current
- 09:4409:44, 14 November 2019 diff hist −33 Nucleophile Substitution CH3Cl - Standard MD →Download current
- 09:4409:44, 14 November 2019 diff hist −33 Liquid Si - Freezing →Download
- 09:4309:43, 14 November 2019 diff hist −33 Liquid Si - Standard MD →Download current
- 09:4309:43, 14 November 2019 diff hist 0 N File:Si Liquid Melting.tgz No edit summary current
- 09:4309:43, 14 November 2019 diff hist 0 N File:Si Liquid Freezing.tgz No edit summary current
- 09:4309:43, 14 November 2019 diff hist 0 N File:CH3Cl standard Molecular Dynamics.tgz No edit summary current
- 09:4309:43, 14 November 2019 diff hist 0 N File:CH3Cl SG.tgz No edit summary current
- 09:4309:43, 14 November 2019 diff hist 0 N File:CH3Cl mMD3.tgz No edit summary current
- 09:4209:42, 14 November 2019 diff hist 0 N File:CH3Cl mMD2.tgz No edit summary current
- 09:4209:42, 14 November 2019 diff hist 0 N File:CH3Cl mMD1.tgz No edit summary current
- 09:4209:42, 14 November 2019 diff hist 0 N File:CH3Cl BM.tgz No edit summary current
- 09:0709:07, 14 November 2019 diff hist −33 Liquid Si - MLFF →Download
- 09:0109:01, 14 November 2019 diff hist −33 Constraining local magnetic moments →Download current
- 09:0109:01, 14 November 2019 diff hist 0 N File:4 5 Fe dimer.tgz No edit summary current
- 09:0009:00, 14 November 2019 diff hist −33 Spin-orbit coupling in a Fe monolayer →Download
- 08:5908:59, 14 November 2019 diff hist 0 N File:4 4 SOI Fe.tgz No edit summary current
- 08:5908:59, 14 November 2019 diff hist −33 Spin-orbit coupling in a Ni monolayer →Download
- 08:5908:59, 14 November 2019 diff hist 0 N File:4 4 SOI Ni.tgz No edit summary current
- 08:5808:58, 14 November 2019 diff hist −33 NiO LSDA+U →Download
- 08:5808:58, 14 November 2019 diff hist 0 N File:4 3 NiO LSDA+U.tgz No edit summary current
- 08:5708:57, 14 November 2019 diff hist −33 NiO →Download
- 08:5708:57, 14 November 2019 diff hist 0 N File:4 2 NiO.tgz No edit summary current
- 08:5608:56, 14 November 2019 diff hist −33 Fcc Ni (revisited) →Download
- 08:5608:56, 14 November 2019 diff hist 0 N File:4 1 Ni.tgz No edit summary current
- 08:5508:55, 14 November 2019 diff hist −33 Si bandstructure →Download
- 08:5508:55, 14 November 2019 diff hist 0 N File:5 4 Si bandstructure.tgz No edit summary current
- 08:5408:54, 14 November 2019 diff hist −33 Fcc Ni DOS with hybrid functional →Download
- 08:5408:54, 14 November 2019 diff hist 0 N File:FccNi hybrid DOS.tgz No edit summary current
- 08:5308:53, 14 November 2019 diff hist −33 MgO optimum mixing →Download
- 08:5308:53, 14 November 2019 diff hist 0 N File:5 2 MgO mixing.tgz No edit summary current
- 08:5208:52, 14 November 2019 diff hist −33 Bandgap of Si using different DFT+HF methods →Download
- 08:5208:52, 14 November 2019 diff hist 0 N File:Si hybrids gap.tgz No edit summary current
- 08:4808:48, 14 November 2019 diff hist −33 Equilibrium volume of Si in the RPA →Download
- 08:4808:48, 14 November 2019 diff hist 0 N File:Si ACFDT vol.tgz No edit summary current
- 08:4708:47, 14 November 2019 diff hist −33 CRPA of SrVO3 →Downloads
- 08:4708:47, 14 November 2019 diff hist 0 N File:CRPA of SrVO3.tgz No edit summary current
- 08:4708:47, 14 November 2019 diff hist −33 Bandstructure of SrVO3 in GW →Download
- 08:4608:46, 14 November 2019 diff hist 0 N File:SrVO3 GW band.tgz No edit summary current
- 08:4508:45, 14 November 2019 diff hist −33 Bandstructure of Si in GW (VASP2WANNIER90) →Download current
- 08:4508:45, 14 November 2019 diff hist 0 N File:Si bandstructure GW.tgz No edit summary current
- 08:4308:43, 14 November 2019 diff hist −33 Bandgap of Si in GW →Download current
- 08:4308:43, 14 November 2019 diff hist 0 N File:Si GW gap.tgz No edit summary current
- 08:4208:42, 14 November 2019 diff hist −33 Graphite interlayer distance →Download
- 08:4208:42, 14 November 2019 diff hist 0 N File:GraphiteDistance ts.tgz No edit summary current
- 08:3908:39, 14 November 2019 diff hist 0 Graphite MBD binding energy →Download
- 08:3808:38, 14 November 2019 diff hist −33 Graphite MBD binding energy →Download
- 08:3808:38, 14 November 2019 diff hist 0 N File:GraphiteBinding mbd.tgz No edit summary current
- 08:3708:37, 14 November 2019 diff hist −33 Graphite TS binding energy →Download
- 08:3508:35, 14 November 2019 diff hist 0 N File:GraphiteBinding ts.tgz No edit summary current
- 08:3408:34, 14 November 2019 diff hist −33 Fcc Ni →Download
- 08:3408:34, 14 November 2019 diff hist 0 N File:FccNi.tgz No edit summary current
- 08:3408:34, 14 November 2019 diff hist −33 Beta-tin Si →Download current
- 08:3308:33, 14 November 2019 diff hist 0 N File:2 5 beta-tinSi.tgz No edit summary current
- 08:3308:33, 14 November 2019 diff hist −33 Cd Si relaxation →Download current
- 08:3308:33, 14 November 2019 diff hist 0 N File:DiamondSirel.tgz No edit summary current
- 08:3208:32, 14 November 2019 diff hist −33 Cd Si volume relaxation →Download current
- 08:3208:32, 14 November 2019 diff hist 0 N File:DiamondSivolrel.tgz No edit summary current
- 08:3108:31, 14 November 2019 diff hist −33 Cd Si →Download current
- 08:3108:31, 14 November 2019 diff hist 0 N File:DiamondSi.tgz No edit summary current
- 08:3008:30, 14 November 2019 diff hist −33 Fcc Si bandstructure →Download
- 08:2808:28, 14 November 2019 diff hist 0 N File:FccSiband.tgz No edit summary current
- 08:2808:28, 14 November 2019 diff hist −33 Fcc Si DOS →Download
- 08:2708:27, 14 November 2019 diff hist 0 N File:FccSidos.tgz No edit summary current
- 08:2608:26, 14 November 2019 diff hist −33 Fcc Si →Download
- 08:2608:26, 14 November 2019 diff hist 0 N File:FccSi.tgz No edit summary current
- 08:0208:02, 14 November 2019 diff hist −33 Plotting the BSE fatband structure of Si →Download
- 08:0208:02, 14 November 2019 diff hist 0 N File:Si BSEfatbands.tgz No edit summary current
- 08:0208:02, 14 November 2019 diff hist −33 Improving the dielectric function →Download
- 08:0108:01, 14 November 2019 diff hist 0 N File:Si improve eps.tgz No edit summary current
- 08:0108:01, 14 November 2019 diff hist +6 Dielectric properties of Si using BSE →Download
- 08:0008:00, 14 November 2019 diff hist −39 Dielectric properties of Si using BSE →Download
- 08:0008:00, 14 November 2019 diff hist 0 N File:Si BSE.tgz No edit summary current
13 November 2019
- 11:0511:05, 13 November 2019 diff hist −33 H2O molecular dynamics →Download
- 11:0411:04, 13 November 2019 diff hist 0 N File:H2Omd.tgz No edit summary current
- 11:0411:04, 13 November 2019 diff hist −33 H2O vibration →Download
- 11:0311:03, 13 November 2019 diff hist 0 N File:H2Ovib.tgz No edit summary current
- 11:0311:03, 13 November 2019 diff hist −33 H2O →Download
- 11:0211:02, 13 November 2019 diff hist 0 N File:H2O.tgz No edit summary current
- 11:0111:01, 13 November 2019 diff hist −33 CO partial DOS →Download
- 11:0111:01, 13 November 2019 diff hist 0 N File:COstates.tgz No edit summary current
- 11:0011:00, 13 November 2019 diff hist +1 CO vibration →Download current
- 11:0011:00, 13 November 2019 diff hist −34 CO vibration →Download
- 10:5910:59, 13 November 2019 diff hist 0 N File:COvib.tgz No edit summary current
- 10:5910:59, 13 November 2019 diff hist −33 CO →Download
- 10:5810:58, 13 November 2019 diff hist 0 N File:CO.tgz No edit summary current
- 10:5710:57, 13 November 2019 diff hist −33 O dimer →Download
- 10:5710:57, 13 November 2019 diff hist 0 N File:Odimer.tgz No edit summary current
- 10:5610:56, 13 November 2019 diff hist +1 O atom spinpolarized low symmetry →Download
- 10:5610:56, 13 November 2019 diff hist 0 O atom spinpolarized low symmetry →Download
- 10:5610:56, 13 November 2019 diff hist −35 O atom spinpolarized low symmetry →Download
- 10:5510:55, 13 November 2019 diff hist 0 N File:Oatomspinlowsym.tgz No edit summary current
- 10:5310:53, 13 November 2019 diff hist +1 O atom spinpolarized →Download
- 10:5310:53, 13 November 2019 diff hist −35 O atom spinpolarized →Download
- 10:5210:52, 13 November 2019 diff hist 0 N File:Oatomspin.tgz No edit summary current
- 10:1010:10, 13 November 2019 diff hist +1 O atom →Download
- 10:0110:01, 13 November 2019 diff hist −35 O atom →Download
- 09:4509:45, 13 November 2019 diff hist 0 N File:Oatom.tgz No edit summary current
12 November 2019
- 14:0614:06, 12 November 2019 diff hist +54 LVDW ONECELL No edit summary
- 14:0414:04, 12 November 2019 diff hist +15 LVDW ONECELL No edit summary
8 October 2019
- 09:3109:31, 8 October 2019 diff hist −131 POTCAR No edit summary
- 09:1509:15, 8 October 2019 diff hist −4 ML MCONF No edit summary
- 08:3508:35, 8 October 2019 diff hist −9 Template:MDCOMBINATIONS No edit summary
4 October 2019
- 13:3013:30, 4 October 2019 diff hist −5 ICONST No edit summary
- 13:2813:28, 4 October 2019 diff hist 0 Category:Tutorials No edit summary current
- 11:1011:10, 4 October 2019 diff hist 0 Ionic contributions to the frequency dependent dielectric function of NaCl No edit summary
- 11:0911:09, 4 October 2019 diff hist −1 Dielectric properties of SiC No edit summary
- 11:0611:06, 4 October 2019 diff hist +17 Liquid Si - Freezing No edit summary
- 11:0511:05, 4 October 2019 diff hist −385 Liquid Si - Freezing No edit summary
- 11:0511:05, 4 October 2019 diff hist +547 Liquid Si - Freezing No edit summary
- 10:5010:50, 4 October 2019 diff hist −22 XANES in Diamond No edit summary
- 10:3110:31, 4 October 2019 diff hist +3 Category:Tutorials No edit summary
- 10:3110:31, 4 October 2019 diff hist −36 Category:Tutorials No edit summary
- 10:3110:31, 4 October 2019 diff hist +42 Category:Tutorials No edit summary
- 10:3010:30, 4 October 2019 diff hist +198 Category:Tutorials No edit summary
- 10:0010:00, 4 October 2019 diff hist −944 Nuclephile Substitution CH3Cl - BM →Free-energy profile
- 10:0010:00, 4 October 2019 diff hist −3 Nuclephile Substitution CH3Cl - BM →Free-energy profile
- 09:5909:59, 4 October 2019 diff hist +2 Nuclephile Substitution CH3Cl - BM →Free-energy profile
- 09:5909:59, 4 October 2019 diff hist +188 Nuclephile Substitution CH3Cl - BM →Free-energy profile
- 09:5809:58, 4 October 2019 diff hist −177 Nuclephile Substitution CH3Cl - BM No edit summary
- 09:5709:57, 4 October 2019 diff hist +71 Nuclephile Substitution CH3Cl - BM No edit summary
- 09:5409:54, 4 October 2019 diff hist +351 Nuclephile Substitution CH3Cl - BM →Free-energy profile
- 09:5209:52, 4 October 2019 diff hist +1,060 Nuclephile Substitution CH3Cl - BM →Free-energy profile
- 09:5109:51, 4 October 2019 diff hist 0 N File:Free energy CH3Cl BM.jpg No edit summary current
- 09:4609:46, 4 October 2019 diff hist +1,555 Nuclephile Substitution CH3Cl - BM →Calculation
3 October 2019
- 13:3713:37, 3 October 2019 diff hist 0 N File:Free energy CH3Cl SG.jpg No edit summary current
- 09:1809:18, 3 October 2019 diff hist 0 Nuclephile Substitution CH3Cl - BM →Calculation
- 09:1709:17, 3 October 2019 diff hist −38 Nuclephile Substitution CH3Cl - BM →Running the calculation
- 09:1709:17, 3 October 2019 diff hist +1,795 Nuclephile Substitution CH3Cl - BM No edit summary
- 09:0109:01, 3 October 2019 diff hist +127 Nuclephile Substitution CH3Cl - BM →{{TAG|INCAR}}
- 09:0009:00, 3 October 2019 diff hist +4 Nuclephile Substitution CH3Cl - BM →{{TAG|INCAR}}
- 09:0009:00, 3 October 2019 diff hist −10 Nuclephile Substitution CH3Cl - BM →{{TAG|INCAR}}
- 09:0009:00, 3 October 2019 diff hist −4 Nuclephile Substitution CH3Cl - BM →{{TAG|INCAR}}
- 08:5908:59, 3 October 2019 diff hist −3 Nuclephile Substitution CH3Cl - BM No edit summary
- 08:5508:55, 3 October 2019 diff hist +2 Nuclephile Substitution CH3Cl - BM →{{TAG|POSCAR}}
- 08:5508:55, 3 October 2019 diff hist +304 Nuclephile Substitution CH3Cl - BM →{{TAG|POSCAR}}
- 08:5008:50, 3 October 2019 diff hist +66 Nuclephile Substitution CH3Cl - SG →Running the calculation
- 08:5008:50, 3 October 2019 diff hist +66 Nuclephile Substitution CH3Cl - mMD3 No edit summary
- 08:4908:49, 3 October 2019 diff hist +66 Nuclephile Substitution CH3Cl - mMD2 →Calculation
- 08:3608:36, 3 October 2019 diff hist +71 Nuclephile Substitution CH3Cl - SG →Download
- 08:3208:32, 3 October 2019 diff hist −2 Nuclephile Substitution CH3Cl - SG No edit summary
- 08:3108:31, 3 October 2019 diff hist +201 Nuclephile Substitution CH3Cl - SG →Free energy profile
- 08:2708:27, 3 October 2019 diff hist +573 Nuclephile Substitution CH3Cl - SG →Free energy profile
- 08:0408:04, 3 October 2019 diff hist −582 Nuclephile Substitution CH3Cl - SG →Free energy profile
- 08:0408:04, 3 October 2019 diff hist −1 Nuclephile Substitution CH3Cl - SG →Free energy profile
- 08:0208:02, 3 October 2019 diff hist +2 Nuclephile Substitution CH3Cl - SG →Free energy profile
- 08:0208:02, 3 October 2019 diff hist +205 Nuclephile Substitution CH3Cl - SG →Free energy profile
2 October 2019
- 14:1514:15, 2 October 2019 diff hist +686 Nuclephile Substitution CH3Cl - SG →Free energy profile
- 14:0014:00, 2 October 2019 diff hist +629 Nuclephile Substitution CH3Cl - SG No edit summary
- 13:5413:54, 2 October 2019 diff hist +156 Nuclephile Substitution CH3Cl - SG No edit summary
- 10:2510:25, 2 October 2019 diff hist +1,651 N Nuclephile Substitution CH3Cl - BM Created page with "{{Template:Molecular dynamics - Tutorial}} == Task == In this example the nucleophile substitution of a Cl<sup>-</sup> by another Cl<sup>-</sup> in CH<sub>3</sub>Cl is simula..."
- 10:2210:22, 2 October 2019 diff hist +22 Nuclephile Substitution CH3Cl - SG No edit summary
- 10:2010:20, 2 October 2019 diff hist +120 Template:Molecular dynamics - Tutorial No edit summary current
- 10:1910:19, 2 October 2019 diff hist +76 Molecular dynamics - Tutorial No edit summary current
- 10:1810:18, 2 October 2019 diff hist +76 Molecular dynamics - Tutorial No edit summary
1 October 2019
- 17:1117:11, 1 October 2019 diff hist +692 Nuclephile Substitution CH3Cl - SG No edit summary
- 17:1017:10, 1 October 2019 diff hist +6 Template:Cite No edit summary
- 17:0917:09, 1 October 2019 diff hist +171 Template:Cite No edit summary
- 17:0317:03, 1 October 2019 diff hist +150 Nuclephile Substitution CH3Cl - SG →Running the calculation
- 17:0317:03, 1 October 2019 diff hist +1,543 Nuclephile Substitution CH3Cl - SG →Calculation
- 16:5816:58, 1 October 2019 diff hist +155 Nuclephile Substitution CH3Cl - SG No edit summary
- 16:5616:56, 1 October 2019 diff hist +2,035 N Nuclephile Substitution CH3Cl - SG Created page with "{{Template:Molecular dynamics - Tutorial}} == Task == In this example the nucleophile substitution of a Cl<sup>-</sup> by another Cl<sup>-</sup> in CH<sub>3</sub>Cl is simula..."
- 16:5216:52, 1 October 2019 diff hist +120 Template:Molecular dynamics - Tutorial No edit summary
- 12:0412:04, 1 October 2019 diff hist −1,012 Liquid Si - Freezing →Diffusion
- 12:0312:03, 1 October 2019 diff hist +2 Liquid Si - Freezing No edit summary
- 12:0312:03, 1 October 2019 diff hist +1,172 Liquid Si - Freezing →Diffusion
- 12:0112:01, 1 October 2019 diff hist −2 Liquid Si - Freezing No edit summary
- 12:0012:00, 1 October 2019 diff hist −1 Liquid Si - Standard MD No edit summary
- 11:5911:59, 1 October 2019 diff hist −5 Projector-augmented-wave formalism No edit summary
- 11:5311:53, 1 October 2019 diff hist −3,393 Liquid Si - Freezing →Diffusion
- 11:5311:53, 1 October 2019 diff hist −3 Liquid Si - Freezing →Diffusion
- 11:5211:52, 1 October 2019 diff hist +19 Liquid Si - Freezing →Diffusion
- 11:5211:52, 1 October 2019 diff hist +210 Liquid Si - Freezing →Diffusion
- 11:4611:46, 1 October 2019 diff hist +2 Nuclephile Substitution CH3Cl - mMD3 →2D free-energy profile
- 11:4611:46, 1 October 2019 diff hist −1,104 Nuclephile Substitution CH3Cl - mMD3 →2D free-energy profile
- 11:4311:43, 1 October 2019 diff hist −3 Nuclephile Substitution CH3Cl - mMD3 →2D free-energy profile
- 11:4211:42, 1 October 2019 diff hist +195 Nuclephile Substitution CH3Cl - mMD3 →2D free-energy profile
- 10:2610:26, 1 October 2019 diff hist +75 Nuclephile Substitution CH3Cl - mMD3 No edit summary
- 10:1510:15, 1 October 2019 diff hist +114 Nuclephile Substitution CH3Cl - mMD3 →2D free-energy profile
- 10:0610:06, 1 October 2019 diff hist 0 N File:PENALTYPOT mMD3 2D profile.jpg No edit summary current
- 09:4809:48, 1 October 2019 diff hist +1 Nuclephile Substitution CH3Cl - mMD3 →2D free-energy profile
- 09:4809:48, 1 October 2019 diff hist +456 Nuclephile Substitution CH3Cl - mMD3 →2D free-energy profile
- 09:2109:21, 1 October 2019 diff hist +5 Nuclephile Substitution CH3Cl - mMD3 →2D free-energy profile
- 09:2009:20, 1 October 2019 diff hist +924 Nuclephile Substitution CH3Cl - mMD3 →2D free-energy profile
- 09:1609:16, 1 October 2019 diff hist +3 Nuclephile Substitution CH3Cl - mMD2 →Free-energy profile
