# User contributions

### From NWChem

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- 07:23, 10 August 2010 (diff | hist) File:S2-md.png (uploaded a new version of "File:S2-md.png") (top)
- 18:27, 9 August 2010 (diff | hist) N File:Pw-lecture.pdf (top)
- 18:21, 9 August 2010 (diff | hist) N File:Cpmd-lecture.pdf (top)
- 18:20, 9 August 2010 (diff | hist) Plane-Wave Density Functional Theory (→Ab initio molecular dynamics simulation (Car-Parrinello) of S_2 dimer with LDA approximation)
- 18:15, 9 August 2010 (diff | hist) Plane-Wave Density Functional Theory (→Ab initio molecular dynamics simulation (Car-Parrinello) of S_2 dimer with LDA approximation)
- 18:11, 9 August 2010 (diff | hist) Plane-Wave Density Functional Theory (→Ab initio molecular dynamics simulation (Car-Parrinello) of S_2 dimer with LDA approximation)
- 18:10, 9 August 2010 (diff | hist) Plane-Wave Density Functional Theory (→Frequency calculation of S_2 dimer with LDA approximation)
- 18:07, 9 August 2010 (diff | hist) Plane-Wave Density Functional Theory (→Structural optimization of S_2 dimer with LDA approximation)
- 18:03, 9 August 2010 (diff | hist) Plane-Wave Density Functional Theory (→Total energy of S_2 dimer with LDA approximation)
- 17:57, 9 August 2010 (diff | hist) Plane-Wave Density Functional Theory (→Ab initio molecular dynamics simulation (Car-Parrinello) of S_2 dimer with LDA approximation)
- 17:52, 9 August 2010 (diff | hist) N File:S2-md.png
- 17:51, 9 August 2010 (diff | hist) Plane-Wave Density Functional Theory (→Ab initio molecular dynamics simulation (Car-Parrinello) of S_2 dimer with LDA approximation)
- 17:37, 9 August 2010 (diff | hist) Plane-Wave Density Functional Theory (→Ab initio molecular dynamics simulation (Car-Parrinello) of S_2 dimer with LDA approximation)
- 17:36, 9 August 2010 (diff | hist) Plane-Wave Density Functional Theory (→Ab initio molecular dynamics simulation (Car-Parrinello) of S_2 dimer with LDA approximation)
- 17:30, 9 August 2010 (diff | hist) N File:S2-md.xyz (top)
- 17:30, 9 August 2010 (diff | hist) Plane-Wave Density Functional Theory (→Ab initio molecular dynamics simulation (Car-Parrinello) of S_2 dimer with LDA approximation)
- 17:11, 9 August 2010 (diff | hist) Plane-Wave Density Functional Theory (→PSPW Tutorial 1: S_2 dimer examples)
- 17:11, 9 August 2010 (diff | hist) Plane-Wave Density Functional Theory (→PSPW Tutorial 1: S_2 dimer examples)
- 17:10, 9 August 2010 (diff | hist) N File:S2-example4.nwout (top)
- 17:09, 9 August 2010 (diff | hist) N File:S2-example4.nw (top)
- 17:09, 9 August 2010 (diff | hist) N File:S2-example3.nwout (top)
- 17:09, 9 August 2010 (diff | hist) N File:S2-example3.nw (top)
- 17:08, 9 August 2010 (diff | hist) N File:S2-example2.nwout (top)
- 17:07, 9 August 2010 (diff | hist) N File:S2-example2.nw (top)
- 17:07, 9 August 2010 (diff | hist) N File:S2-example1.nwout (top)
- 17:06, 9 August 2010 (diff | hist) File:S2-example1.nw (uploaded a new version of "File:S2-example1.nw") (top)
- 17:05, 9 August 2010 (diff | hist) N File:S2-example1.nw
- 17:05, 9 August 2010 (diff | hist) Plane-Wave Density Functional Theory (→Total energy of S_2 dimer with LDA approximation)
- 16:17, 9 August 2010 (diff | hist) Plane-Wave Density Functional Theory (→Total energy of S_2 dimer with LDA approximation)
- 16:15, 9 August 2010 (diff | hist) Plane-Wave Density Functional Theory (→PSPW Tutorial 1:)
- 16:14, 9 August 2010 (diff | hist) Plane-Wave Density Functional Theory (→PSPW Tutorial 1: S_2 dimer with LDA approximation)
- 16:12, 9 August 2010 (diff | hist) Plane-Wave Density Functional Theory (→PSPW Tutorial 1: Minimizing the geometry and calculate the frequecies for a CH_2Cl molecule)
- 15:58, 9 August 2010 (diff | hist) N File:Nwpwexample1.pdf (detailed explanation of nwpw example 1) (top)
- 14:55, 9 August 2010 (diff | hist) Plane-Wave Density Functional Theory (→PSPW Tutorial 1: Minimizing the geometry and calculate the frequecies for a CH_2Cl molecule)
- 14:50, 9 August 2010 (diff | hist) Plane-Wave Density Functional Theory (→PSPW Tutorial 1: Minimizing the geometry and calculate the frequecies for a CH_2Cl molecule)
- 14:46, 9 August 2010 (diff | hist) N File:Ch3cl.nw (NWPW example 1 input deck) (top)
- 14:41, 9 August 2010 (diff | hist) Main Page
- 14:39, 9 August 2010 (diff | hist) Main Page
- 14:36, 9 August 2010 (diff | hist) N NWPW (moved NWPW to Plane-Wave Density Functional Theory) (top)
- 14:36, 9 August 2010 (diff | hist) m Plane-Wave Density Functional Theory (moved NWPW to Plane-Wave Density Functional Theory)
- 14:36, 9 August 2010 (diff | hist) Main Page
- 14:34, 9 August 2010 (diff | hist) Plane-Wave Density Functional Theory (→PSPW Tutorial 1: Minimizing the geometry and calculate the frequecies for a CH_2Cl molecule)
- 14:32, 9 August 2010 (diff | hist) Plane-Wave Density Functional Theory (→PSPW Tutorial 1: Minimizing the geometry and calculate the frequecies for a CH_2Cl molecule)
- 14:15, 9 August 2010 (diff | hist) Plane-Wave Density Functional Theory (→PSPW Tutorial 1: Minimizing the geometry for a C_2 molecule)
- 12:09, 9 August 2010 (diff | hist) Plane-Wave Density Functional Theory (→Pseudopotential plane-wave density functional theory (NWPW))
- 12:07, 9 August 2010 (diff | hist) N NWPW RETIRED (Created page with '===WAVEFUNCTION_INITIALIZER=== The functionality of this task is now performed automatically. For backward compatibility, we provide a description of the input to this task. Th…') (top)
- 12:01, 9 August 2010 (diff | hist) Guidelines for Authors (→External links)
- 12:00, 9 August 2010 (diff | hist) Guidelines for Authors (→External links)
- 12:00, 9 August 2010 (diff | hist) Guidelines for Authors (→External links)
- 11:50, 9 August 2010 (diff | hist) N File:Para1.png (tyhsg) (top)

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