PTEROSOR/QuAcK
10
1
Fork 0
mirror of https://github.com/pfloos/quack synced 2025-01-09 20:48:40 +01:00
Code Releases Activity
a4870ed165
QuAcK/input/basis

19 lines
532 B
Plaintext
Raw Normal View History

added occupation numbers of orbitals no and no+1 in input and N-centered weights in read_options
2020-08-01 11:45:17 +02:00
1 3
S 3
1 13.0100000 0.0196850
2 1.9620000 0.1379770
3 0.4446000 0.4781480
GIC functional working
2020-04-06 23:34:49 +02:00
S 1
added occupation numbers of orbitals no and no+1 in input and N-centered weights in read_options
2020-08-01 11:45:17 +02:00
1 0.1220000 1.0000000
correction of EA sign and added Fundamental Gap in the print
2020-07-09 10:44:19 +02:00
P 1
added occupation numbers of orbitals no and no+1 in input and N-centered weights in read_options
2020-08-01 11:45:17 +02:00
1 0.7270000 1.0000000
2 3
S 3
1 13.0100000 0.0196850
2 1.9620000 0.1379770
3 0.4446000 0.4781480
S 1
1 0.1220000 1.0000000
starting working on fundamental gap with cloclo
2020-06-23 15:59:19 +02:00
P 1
added occupation numbers of orbitals no and no+1 in input and N-centered weights in read_options
2020-08-01 11:45:17 +02:00
1 0.7270000 1.0000000
Copy Permalink