Difference between revisions of "Tutorial-v.1.0.0"

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* pseudo potential files ([[C_rps.data]], [[H_rps.data]], [[File:pseudopotentials_C2H2.zip|Pseudopotentials_C2H2.zip]])
 
* pseudo potential files ([[C_rps.data]], [[H_rps.data]], [[File:pseudopotentials_C2H2.zip|Pseudopotentials_C2H2.zip]])
 
** [[Explanations for C2H2_gs input files-v.1.0.0]]
 
** [[Explanations for C2H2_gs input files-v.1.0.0]]
* an output file ([[C2H2_v1_0_0.info|C2H2.info]]) and additional output files ([[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]])
+
* an output file ([[C2H2_v1_0_0.info|C2H2.info]], [[File:C2H2_info_v1_0_0.zip|C2H2_info_v1_0_0.zip]]) and additional output files ([[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-v.1.0.0]]
 
** [[Explanations for C2H2_gs output files-v.1.0.0]]
 
* images generated by cube files (psi: highest occupied molecular orbital (HOMO), dns: electron density, ELF: electron localization function)
 
* images generated by cube files (psi: highest occupied molecular orbital (HOMO), dns: electron density, ELF: electron localization function)

Revision as of 13:22, 30 October 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