|
|
bf1f8ba2ca
|
new examples
|
2019-10-06 22:37:51 +02:00 |
|
|
|
6ca04d4b44
|
pp-RPA
|
2019-10-06 20:08:38 +02:00 |
|
|
|
923d1a8bd6
|
pp-RPA
|
2019-10-05 23:09:20 +02:00 |
|
|
|
55f7bffd76
|
fix bug in evGW for BSE Ec
|
2019-10-01 14:53:36 +02:00 |
|
|
|
bf43db038e
|
done
|
2019-09-26 22:46:32 +02:00 |
|
|
|
d9efdc53bf
|
stupid big in qsGW BSE
|
2019-09-26 21:36:46 +02:00 |
|
|
|
bc834c0466
|
scan diatomics
|
2019-09-23 18:36:55 +02:00 |
|
|
|
ff82232fe5
|
fix bug in printing qsGW energy after BSE
|
2019-09-23 13:31:01 +02:00 |
|
|
|
6b052421a8
|
script for scan
|
2019-09-22 22:22:52 +02:00 |
|
|
|
8dbd12ecac
|
eta parameter
|
2019-09-22 21:15:53 +02:00 |
|
|
|
153fe069aa
|
qsGW fix bug
|
2019-09-21 08:53:29 +02:00 |
|
|
|
b7475c58cf
|
huckel guess
|
2019-09-20 22:28:01 +02:00 |
|
|
|
c477b848ac
|
basis correction
|
2019-07-09 16:17:10 +02:00 |
|
|
|
ad3d77cda6
|
adding files
|
2019-05-07 22:57:57 +02:00 |
|
|
|
31e3707ce6
|
Sph
|
2019-04-02 22:58:24 +02:00 |
|
|
|
8ad895ad85
|
cleanup excitation_energy
|
2019-04-02 09:59:30 +02:00 |
|
|
|
d27591b14c
|
IntPak read geom fixed
|
2019-03-31 22:28:04 +02:00 |
|
|
|
599182f5e5
|
UHF is working
|
2019-03-19 11:21:34 +01:00 |
|
|
|
00f6240697
|
removing examples
|
2019-03-19 10:19:41 +01:00 |
|
|
|
5eea98a3fb
|
removing examples
|
2019-03-19 10:19:18 +01:00 |
|
|
|
c61de6af00
|
removing examples
|
2019-03-19 10:18:03 +01:00 |
|
