User contributions for Vaspmaster
25 August 2016
- 12:2912:29, 25 August 2016 diff hist −8 Bandgap of Si in GW →Download
- 12:2812:28, 25 August 2016 diff hist +211 ICAMM Rennes 2016 →Dielectric properties and RPA
- 12:1612:16, 25 August 2016 diff hist +40 ICAMM Rennes 2016 →Exercises
- 12:1212:12, 25 August 2016 diff hist +15,333 N Si HSE bandstructure Created page with "Description: Bandstructure for Si within DFT+HF Bandstructure in VASP can be obtained following three different procedures. The standard procedure (procedure 1), applicabl..."
- 12:1212:12, 25 August 2016 diff hist −19 ICAMM Rennes 2016 →Hybrid functionals
- 12:1112:11, 25 August 2016 diff hist +95 ICAMM Rennes 2016 →Hybrid functionals
- 12:0812:08, 25 August 2016 diff hist +862 N Fcc Ni DOS with hybrid functional Created page with "Description: fcc Ni DOS using HSE and PBE0 (comparison with PBE) ---- *INCAR <pre> ## Plot the spin-polarized DOS of fcc Ni ## at HSE and PBE0 level, and compare with ## sta..."
- 12:0712:07, 25 August 2016 diff hist +38 ICAMM Rennes 2016 →Hybrid functionals
- 12:0412:04, 25 August 2016 diff hist 0 Bandgap of Si using different DFT+HF methods →Download
- 11:5211:52, 25 August 2016 diff hist +28 ICAMM Rennes 2016 No edit summary
24 August 2016
- 18:5618:56, 24 August 2016 diff hist −104 ICAMM Rennes 2016 →Lectures
- 18:5618:56, 24 August 2016 diff hist +104 ICAMM Rennes 2016 →Lectures
- 18:5318:53, 24 August 2016 diff hist +119 ICAMM Rennes 2016 →Lectures
- 11:1611:16, 24 August 2016 diff hist +10 ICAMM Rennes 2016 →Lectures
- 11:1511:15, 24 August 2016 diff hist +125 ICAMM Rennes 2016 →Lectures
- 11:1111:11, 24 August 2016 diff hist +140 ICAMM Rennes 2016 No edit summary
23 August 2016
- 20:0720:07, 23 August 2016 diff hist +1 Si bandstructure →Procedure 2: 0-weight (Fake) SC procedure (PBE & Hybrids)
- 19:4919:49, 23 August 2016 diff hist 0 ICAMM Rennes 2016 HOWTO No edit summary
- 19:4819:48, 23 August 2016 diff hist +352 ICAMM Rennes 2016 →Exercises
- 19:4719:47, 23 August 2016 diff hist +280 N STM of graphene Created page with "Description: generate and STM image of a graphene surface ---- == Download == [http://www.vasp.at/vasp-workshop/examples/Graphene_STM.tgz Graphene_STM.tgz] ---- VASP_exam..."
- 19:4619:46, 23 August 2016 diff hist +280 N STM of graphite Created page with "Description: generate and STM image of a graphite surface ---- == Download == [http://www.vasp.at/vasp-workshop/examples/Graphite_STM.tgz Graphite_STM.tgz] ---- VASP_exam..."
- 19:4419:44, 23 August 2016 diff hist −8 Vibrational frequencies of CO on Ni 111 surface →Download
- 19:4419:44, 23 August 2016 diff hist −8 Partial DOS of CO on Ni 111 surface →Download
- 19:4319:43, 23 August 2016 diff hist −8 Ni 111 surface high precision →Download
- 19:4319:43, 23 August 2016 diff hist −8 CO on Ni 111 surface →Download
- 19:4219:42, 23 August 2016 diff hist −8 Ni 111 surface relaxation →Download
- 19:4219:42, 23 August 2016 diff hist −8 Ni 100 surface bandstructure →Download
- 19:4119:41, 23 August 2016 diff hist −8 Ni 100 surface DOS →Download
- 19:4119:41, 23 August 2016 diff hist −8 Ni 100 surface relaxation →Download
- 19:3919:39, 23 August 2016 diff hist +129 ICAMM Rennes 2016 →Tutorials
- 17:3717:37, 23 August 2016 diff hist +168 ICAMM Rennes 2016 →Exercises
- 17:2717:27, 23 August 2016 diff hist −1 ICAMM Rennes 2016 →Exercises
- 17:2617:26, 23 August 2016 diff hist +257 ICAMM Rennes 2016 →Exercises
- 17:2517:25, 23 August 2016 diff hist +9 Graphite interlayer distance No edit summary
- 17:2517:25, 23 August 2016 diff hist +1 Graphite interlayer distance No edit summary
- 17:2517:25, 23 August 2016 diff hist +1,540 N Graphite interlayer distance Created page with "Description: determine the interlayer distance of graphite in the stacking direction using the method of Tchatchenko and Scheffler to account for van der Waals interactions...."
- 17:2217:22, 23 August 2016 diff hist +1,568 N Graphite MBD binding energy Created page with "Description: determine the interlayer binding energy of graphite in its experimental structure using the MBD@rsSCS method of Tchatchenko ''et al.'' to account for van der Waal..."
- 17:2017:20, 23 August 2016 diff hist +1,642 N Graphite TS binding energy Created page with "Description: determine the interlayer binding energy of graphite in its experimental structure using the method of Tchatchenko and Scheffler to account for van der Waals inte..."
- 17:1417:14, 23 August 2016 diff hist +118 Fcc Ni No edit summary
- 17:1217:12, 23 August 2016 diff hist −8 Fcc Ni →Download
- 17:1017:10, 23 August 2016 diff hist −12 Cd Si volume relaxation →Download
- 17:0917:09, 23 August 2016 diff hist −16 Cd Si relaxation →Download
- 17:0817:08, 23 August 2016 diff hist −8 Cd Si →Download
- 17:0817:08, 23 August 2016 diff hist −10 Fcc Si bandstructure →Download
- 17:0717:07, 23 August 2016 diff hist −10 Fcc Si DOS →Download
- 17:0717:07, 23 August 2016 diff hist −8 Fcc Si →Download
- 15:1815:18, 23 August 2016 diff hist −2 ICAMM Rennes 2016 No edit summary
- 14:5914:59, 23 August 2016 diff hist +220 ICAMM Rennes 2016 →Exercises
- 14:5614:56, 23 August 2016 diff hist −82 H2O molecular dynamics No edit summary
- 14:5614:56, 23 August 2016 diff hist −82 H2O vibration No edit summary