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

27 Commits

Author SHA1 Message Date
99aa500483 missing files for BSE2@GW 2022-11-28 15:21:05 +01:00
d2082f55f8 implementation of BSE2@GW 2022-11-28 15:05:29 +01:00
5a561e0ed9 update eDFT module 2022-11-28 10:52:06 +01:00
68d95544ae clean up QuAcK 2022-11-08 15:38:46 +01:00
96621bd038 adding routines for MBPT vs CC 2022-09-28 16:09:09 +02:00
1f2f6634bb DIP- and DEA-EOM-CCD 2022-09-27 14:07:31 +02:00
68008e5738 working on ppBSE@GT 2022-09-09 21:48:50 +02:00
13ed518704 correct a few bugs in ppBSE 2022-08-17 16:53:59 +02:00
3acc640eee excitation vectors for ppRPA and ppBSE 2022-08-17 15:52:13 +02:00
68672a74b9 adding option for ppBSE 2022-08-17 14:38:00 +02:00
93564f350d ppBSE@G0W0 2022-08-17 14:32:14 +02:00
20264ca56c fix bug in iterative dynamic correction 2022-08-15 09:49:57 +02:00
cb0054c441 changed cutoff in ufG0W0 2022-02-18 16:29:17 +01:00
a878fc6e3b UG0T0 2022-02-16 21:27:35 +01:00
eca248d34d remove print 2022-01-31 13:41:07 +01:00
f7718c8ab1 clean linear response and static BSE2 kernel 2022-01-31 13:19:42 +01:00
df5345e570 spinorbital BSE@G0T0 2022-01-26 13:05:16 +01:00
Pierre-Francois Loos
16431bcd33 ufG0W0 2022-01-17 08:02:11 +01:00
fc0f9bb5f0 dynamic BSE@GT 2022-01-11 15:23:43 +01:00
d51f99671d problem with rcond in DIIS fixed 2022-01-06 22:36:30 +01:00
c93ae70805 fix bug in regularized self energy 2022-01-06 22:13:45 +01:00
baff46e4db regularized self-energy in UGW 2022-01-06 22:10:53 +01:00
c21864c34c regularized self-energy in qsGW and evGW 2022-01-06 22:02:10 +01:00
e1f67c94d4 GM in GT 2022-01-06 13:48:15 +01:00
2a5d6892b8 BSE@GT potentially correct 2021-12-21 13:49:41 +01:00
de2c45ab70 fix bug 2021-12-17 15:42:16 +01:00
203ce9541c regularized GW 2021-12-17 11:41:40 +01:00