User contributions for Karsai

14:3014:30, 20 March 2019 diff hist −33‎ Category:Van der Waals functionals ‎No edit summary
14:2914:29, 20 March 2019 diff hist +125‎ Category:Van der Waals functionals ‎No edit summary
14:2914:29, 20 March 2019 diff hist +6‎ Category:Van der Waals functionals ‎No edit summary
09:1709:17, 20 March 2019 diff hist +190‎ MP2 calculations ‎No edit summary
08:5108:51, 20 March 2019 diff hist +10‎ The VASP Manual ‎ →‎Featured topics
08:4808:48, 20 March 2019 diff hist +151‎ N Category:MP2 ‎ Created page with "== How to == *MP2 method: {{TAG|MP2 calculations}}. ---- MP2 Many-Body Perturbation Theory"
08:4708:47, 20 March 2019 diff hist +1,650‎ N MP2 calculations ‎ Created page with "By specifying {{TAG|ALGO}}=''MP2'' in the {{TAG|INCAR}} file VASP calculates MP2 correlation energies. It is strongly recommended to calculate all virtual states spanned by th..."
08:4708:47, 20 March 2019 diff hist −1‎ Practical guide to GW calculations ‎ →‎References
06:5106:51, 20 March 2019 diff hist +966‎ ACFDT/RPA calculations ‎No edit summary
06:4506:45, 20 March 2019 diff hist +1‎ LADDER ‎No edit summary

15:1715:17, 19 March 2019 diff hist +92‎ Category:GW ‎No edit summary
15:1715:17, 19 March 2019 diff hist +3,140‎ N GW and dielectric matrix ‎ Created page with "The GW routine also determines the frequency dependent dielectric matrix without local field effects and with local field effects in the random phase approximation (RPA, {{TAG..."
15:1715:17, 19 March 2019 diff hist −29‎ Practical guide to GW calculations ‎No edit summary
14:2114:21, 19 March 2019 diff hist +15‎ ODDONLY ‎No edit summary
14:2014:20, 19 March 2019 diff hist 0‎ ODDONLY ‎No edit summary
14:2014:20, 19 March 2019 diff hist +42‎ ODDONLY ‎No edit summary
14:1614:16, 19 March 2019 diff hist +2,420‎ N Hellmann-Feynman forces ‎ Created page with "Within the finite temperature LDA forces are defined as the derivative of the generalized ''free energy''. This quantity can be evaluated easily. The functional <math>F</math>..."
12:0312:03, 19 March 2019 diff hist +1‎ K-point integration ‎ →‎Improved functional form by Methfessel and Paxton
12:0112:01, 19 March 2019 diff hist −481‎ K-point integration ‎ →‎Improved functional form by Methfessel and Paxton
11:5911:59, 19 March 2019 diff hist +403‎ K-point integration ‎ →‎Improved functional form by Methfessel and Paxton
11:5811:58, 19 March 2019 diff hist +12‎ K-point integration ‎ →‎Improved functional form by Methfessel and Paxton
11:5811:58, 19 March 2019 diff hist −256‎ K-point integration ‎ →‎Improved functional form by Methfessel and Paxton
11:5711:57, 19 March 2019 diff hist +103‎ K-point integration ‎ →‎Improved functional form by Methfessel and Paxton
11:5511:55, 19 March 2019 diff hist −46‎ K-point integration ‎ →‎Improved functional form by Methfessel and Paxton
11:5411:54, 19 March 2019 diff hist +157‎ K-point integration ‎ →‎Improved functional form by Methfessel and Paxton
11:5211:52, 19 March 2019 diff hist −185‎ K-point integration ‎ →‎Linear tetrahedron methods
11:5211:52, 19 March 2019 diff hist +23‎ K-point integration ‎ →‎Linear tetrahedron methods
11:5111:51, 19 March 2019 diff hist +162‎ K-point integration ‎ →‎Linear tetrahedron methods
11:4711:47, 19 March 2019 diff hist +2,102‎ K-point integration ‎No edit summary
11:4411:44, 19 March 2019 diff hist +190‎ Template:Cite ‎No edit summary
11:2011:20, 19 March 2019 diff hist −13‎ K-point integration ‎ →‎Improved functional form by Methfessel and Paxton
11:2011:20, 19 March 2019 diff hist +59‎ K-point integration ‎ →‎Improved functional form by Methfessel and Paxton
11:1811:18, 19 March 2019 diff hist −334‎ K-point integration ‎ →‎Improved functional form by Methfessel and Paxton
11:1711:17, 19 March 2019 diff hist +514‎ K-point integration ‎ →‎Improved functional form by Methfessel and Paxton
11:1611:16, 19 March 2019 diff hist +628‎ K-point integration ‎No edit summary
11:0311:03, 19 March 2019 diff hist +1,734‎ K-point integration ‎No edit summary
11:0011:00, 19 March 2019 diff hist +159‎ Template:Cite ‎No edit summary
10:5810:58, 19 March 2019 diff hist +166‎ Template:Cite ‎No edit summary
10:5510:55, 19 March 2019 diff hist +58‎ K-point integration ‎ →‎Linear tetrahedron methods
10:5410:54, 19 March 2019 diff hist +199‎ Template:Cite ‎No edit summary
10:5210:52, 19 March 2019 diff hist +167‎ K-point integration ‎No edit summary
10:5110:51, 19 March 2019 diff hist +535‎ Template:Cite ‎No edit summary
10:5110:51, 19 March 2019 diff hist +919‎ K-point integration ‎No edit summary
10:4010:40, 19 March 2019 diff hist +324‎ K-point integration ‎No edit summary
10:3910:39, 19 March 2019 diff hist +16‎ K-point integration ‎No edit summary
10:3910:39, 19 March 2019 diff hist +1,315‎ N K-point integration ‎ Created page with "In this section we discuss partial occupancies. A must for all readers. First there is the question why to use partial occupancies at all. The answer is: partial occupancies..."
10:3310:33, 19 March 2019 diff hist +55‎ Category:Electronic minimization ‎ →‎Theory
10:2710:27, 19 March 2019 diff hist +61‎ Energy vs volume Volume relaxations and Pulay stress ‎No edit summary

16:2816:28, 18 March 2019 diff hist +36‎ Harris-Foulkes functional ‎No edit summary
16:2116:21, 18 March 2019 diff hist +1‎ Harris-Foulkes functional ‎No edit summary

20 March 2019

19 March 2019

18 March 2019