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Date Name Thumbnail Size Description Versions
20:18, 13 June 2017 HOMO.png (file) 187 KB A highest occupied molecular orbital of a C2H2 molecule 1
20:20, 13 June 2017 Dns.png (file) 138 KB electron density of a C2H2 molecule 1
20:25, 13 June 2017 Elf.png (file) 118 KB Electron localization function of a C2H2 molecule. 1
10:04, 14 June 2017 C2H2.info (file) 723 bytes output data for GS calculation of a C2H2 molecule 1
10:12, 14 June 2017 Psi5.cube (file) 3.29 MB a highest occupied molecular orbital of a C2H2 molecule 1
10:15, 14 June 2017 Dns.cube (file) 3.29 MB electron density of a C2H2 molecule 1
10:47, 14 June 2017 Elf.cube (file) 3.29 MB Electron localization function of a C2H2 molecule. 1
10:49, 14 June 2017 Dos.data (file) 15 KB Density of states of a C2H2 molecule 1
10:51, 14 June 2017 Pdos1.data (file) 23 KB Projected density of states of a C2H2 molecule 1
10:54, 14 June 2017 C2H2-RT response.data (file) 303 KB a RT file for a linear response calculation of a C2H2 molecule 1
10:56, 14 June 2017 C2H2-ALP response.data (file) 155 KB an ALP file for a linear response calculation of a C2H2 molecule 1
10:57, 14 June 2017 C2H2-RT pulse.data (file) 1.42 MB a RT file for a pulse calculation of a C2H2 molecule 1
10:58, 14 June 2017 C2H2-ALP pulse.data (file) 155 KB an ALP file for a pulse calculation of a C2H2 molecule 1
16:04, 17 October 2017 C2H2 gs v1 0 0.inp (file) 610 bytes   1
13:20, 30 October 2017 C2H2 info v1 0 0.zip (file) 420 bytes   1
14:57, 30 October 2017 C2H2 pulse data v1 0 0.zip (file) 140 KB   1
14:22, 9 November 2017 Pseudopotentials C2H2.zip (file) 21 KB   2
18:33, 9 November 2017 C2H2 response data v1 0 0.zip (file) 21 KB   2
11:55, 13 November 2017 C2H2 gs v1 0 0.zip (file) 21 KB   2
11:57, 13 November 2017 C2H2 gs output v1 0 0.zip (file) 10.23 MB   3
12:01, 13 November 2017 C2H2 rt response output v1 0 0.zip (file) 150 KB   1
12:21, 13 November 2017 C2H2 pulse output v1 0 0.zip (file) 148 KB   1
13:45, 13 November 2017 C2H2 rt response v1 0 0.zip (file) 493 bytes   3
13:46, 13 November 2017 C2H2 rt pulse v1 0 0.zip (file) 529 bytes   4
13:50, 13 November 2017 C2H2 rt pulse output v1 0 0.zip (file) 148 KB   1
14:16, 20 November 2017 C2H2 gs input-v.1.0.0.zip (file) 21 KB rename zip file 1
14:18, 20 November 2017 C2H2 gs output-v.1.0.0.zip (file) 10.23 MB rename a zipped file 1
14:20, 20 November 2017 C2H2 rt response input-v.1.0.0.zip (file) 493 bytes rename a zipped file 1
14:52, 20 November 2017 C2H2 rt response output-v.1.0.0.zip (file) 150 KB rename a zipped file 1
14:54, 20 November 2017 C2H2 rt pulse input-v.1.0.0.zip (file) 529 bytes rename a zipped file 1
14:56, 20 November 2017 C2H2 rt pulse output-v.1.0.0.zip (file) 148 KB rename a zipped file 1
20:00, 20 November 2017 C2H2 gs output.zip (file) 10.23 MB   2
20:04, 20 November 2017 C2H2 rt response input.zip (file) 491 bytes   2
20:05, 20 November 2017 C2H2 rt response output.zip (file) 150 KB   2
20:05, 20 November 2017 C2H2 rt pulse input.zip (file) 527 bytes   2
20:05, 20 November 2017 C2H2 rt pulse output.zip (file) 148 KB   2
15:40, 23 November 2017 C2H2 gs input.zip (file) 21 KB   3