Difference between revisions of "Samples"

From salmon
Jump to: navigation, search
(Sample-5: Ground state and electron dynamics of crystalline silicon under pulsed electric field)
(remove a closing parenthesis)
 
(14 intermediate revisions by 2 users not shown)
Line 5: Line 5:
 
* output files ([[media:C2H2.info|C2H2.info]], [[media:Psi5.cube|psi5.cube]], [[media:Dns.cube|dns.cube]], [[media:Elf.cube|elf.cube]], [[media:Dos.data|dos.data]], [[media:Pdos1.data|pdos1.data]])
 
* output files ([[media:C2H2.info|C2H2.info]], [[media:Psi5.cube|psi5.cube]], [[media:Dns.cube|dns.cube]], [[media:Elf.cube|elf.cube]], [[media:Dos.data|dos.data]], [[media:Pdos1.data|pdos1.data]])
 
** [[Explanations for C2H2_gs output files]]
 
** [[Explanations for C2H2_gs output files]]
* images generated by cube files (from left, highest occupied molecular orbital (HOMO), electron density, electron localization function (ELF))
+
* images generated by cube files (psi: highest occupied molecular orbital (HOMO), dns: electron density, ELF: electron localization function)
 
[[File:HOMO.png#file|300px]][[File:Dns.png#file|300px]][[File:Elf.png#file|300px]]
 
[[File:HOMO.png#file|300px]][[File:Dns.png#file|300px]][[File:Elf.png#file|300px]]
  
Line 26: Line 26:
 
* pseudo potential files ([[media: Si_rps.dat | Si_rps.dat]])
 
* pseudo potential files ([[media: Si_rps.dat | Si_rps.dat]])
 
** [[Explanations for Si_response input files]]
 
** [[Explanations for Si_response input files]]
* output files ([[aaa]], [[bbb]], [[ccc]])
+
* output files
 
** [[Explanations for Si response output files]]
 
** [[Explanations for Si response output files]]
  
Line 33: Line 33:
 
* pseudo potential files ([[media: Si_rps.dat | Si_rps.dat]])
 
* pseudo potential files ([[media: Si_rps.dat | Si_rps.dat]])
 
** [[Explanations for Si_sc_pulse input files]]
 
** [[Explanations for Si_sc_pulse input files]]
* output files ([[media;sc pulse.out,|sc pulse.out]], [[media:Si_sc_pulse_j_ac.out|Si_sc_pulse_j_ac.out ]]
+
* output files ([[media: Si_sc_pulse.out | Si_sc_pulse.out]], [[media:Si_sc_pulse_j_ac.out|Si_sc_pulse_j_ac.out ]]
 
** [[Explanations for Si_sc_pulse output files]]
 
** [[Explanations for Si_sc_pulse output files]]
  
Line 40: Line 40:
 
* pseudo potential files ([[media: Si_rps.dat | Si_rps.dat]])
 
* pseudo potential files ([[media: Si_rps.dat | Si_rps.dat]])
 
** [[Explanations for Si_ms input files]]
 
** [[Explanations for Si_ms input files]]
* output files ([[aaa]], [[bbb]], [[ccc]])
+
* output files([[media: Si_ms_pulse.out |Si_ms_pulse.out]], [[media: Si_ms_pulse_Ac_000000.out | Si_ms_pulse_Ac_000000.out]])
 
** [[Explanations for Si_ms output files]]
 
** [[Explanations for Si_ms output files]]

Latest revision as of 16:18, 30 June 2017

Sample-1: Ground state of C2H2 molecule

HOMO.pngDns.pngElf.png

Sample-2: Polarizability of C2H2 molecule

Sample-3: Electron dynamics of C2H2 molecule under pulsed electric field

Sample-4: Ground state and dielectric function of crystalline silicon

Sample-5: Ground state and electron dynamics of crystalline silicon under pulsed electric field

Sample-6: Coupled multiscale calculation of electrons and electromagnetic fields in crystalline silicon