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mirror of https://github.com/pfloos/quack synced 2024-12-24 21:33:45 +01:00
Commit Graph

64 Commits

Author SHA1 Message Date
27181b85e4 adding ufGW to methods 2021-10-18 21:11:01 +02:00
75b35bf3dd adding Z in ufGW 2021-10-18 15:05:01 +02:00
58044a8a89 OK for ufGW 2021-10-18 14:14:46 +02:00
d038594640 ufGW 2021-10-18 10:10:54 +02:00
90a3570323 evGT 2021-10-17 23:04:22 +02:00
cb67629aed dBSE@GT 2021-10-17 12:49:40 +02:00
0ec1dc47de dBSE@GT 2021-10-17 12:46:47 +02:00
35d31cf705 dBSE@GT 2021-10-17 10:06:57 +02:00
af73b5bfdb saving debug 2021-10-17 08:47:51 +02:00
4fd4d88514 now debugging dBSE@GT 2021-10-17 08:15:26 +02:00
457c69bcce dynamical correction for BSE@GT 2021-10-17 08:11:17 +02:00
beaba5f152 more cleaning for GT 2021-10-16 19:43:40 +02:00
41f48188d5 clean up code for GT 2021-10-16 18:51:53 +02:00
7c863d4982 OK for BSE@evGT 2021-10-16 15:36:24 +02:00
0fa90ab2a9 OK for BSE@GT 2021-10-16 15:34:34 +02:00
ec4ff2cc9f debugging BSE@GT 2021-10-15 22:32:22 +02:00
eda79e42ec code done in BSE@GT 2021-10-15 16:56:16 +02:00
feb1a1bb40 working on BSE@GT 2021-10-15 13:51:04 +02:00
35f1ba916b fix bug in evGT 2021-09-27 15:57:26 +02:00
ab45790280 correcting printing error in G0W0 2021-09-09 15:10:19 +02:00
3349b92e55 add G0T0 2021-07-06 11:57:13 +02:00
9eca749bce qsGW 2021-06-25 10:19:42 +02:00
4cd96d2aa4 OK for RPA/RPAx/GW 2021-04-02 09:53:23 +02:00
246f4dea48 add G0W0 2021-03-27 15:04:18 +01:00
114ac2d1d1 debug qsGW and qsGF 2021-03-27 15:03:54 +01:00
ed2992bc85 clean up qsGW print 2021-03-23 22:35:46 +01:00
b5a28cca0d EcGM 2021-03-15 15:43:51 +01:00
72470287f7 UG0F2 2021-03-08 17:00:05 +01:00
3ced7a8846 GF move 2021-03-07 17:17:18 +01:00
7fd5abe76f clean up GM again 2021-03-06 23:08:43 +01:00
96fa82931d GF2 clean up 2021-03-06 15:27:35 +01:00
ab7cf0401e qsGF2 2021-03-05 22:34:48 +01:00
cecaf03c57 static screening 2021-03-05 17:29:52 +01:00
75ec2443c1 stability analysis 2021-03-03 11:37:46 +01:00
5f55c1af4d fixing up qsGW Ec 2021-03-01 14:55:29 +01:00
272e47ed27 UVWN3 for Gaussian B3LYP 2021-02-25 10:55:08 +01:00
ba7a2349af fix QP graph 2021-02-15 22:15:30 +01:00
a2155a4ae6 T-matrix with KS starting point 2021-02-15 22:00:19 +01:00
0f28af6d50 Vxc in GW 2021-02-15 17:27:06 +01:00
e793ceaeca BCCD start 2021-01-05 15:51:52 +01:00
e0a28f71bd print qsUGW 2020-12-10 09:19:58 +01:00
fedc3a5d23 removing GM correlation energy in qsGW 2020-11-04 15:25:53 +01:00
64f02d427a debug GM correlation energy 2020-11-04 14:49:45 +01:00
f44ab1eadb debug GM correlation energy 2020-11-04 14:47:45 +01:00
6061f1b507 clean up print GW 2020-11-03 22:07:16 +01:00
5df03b58ac bug fix in qsUGW 2020-11-03 21:47:57 +01:00
e26c052a17 print qsUGW 2020-10-21 20:53:36 +02:00
d6723f332d qsUGW works 2020-10-21 12:59:02 +02:00
b75798078b qsUGW works 2020-10-21 12:58:37 +02:00
2e6662056c working on qsUGW 2020-10-21 12:09:18 +02:00