2021-02-25 12:41:14 +01:00
|
|
|
|
|
|
|
|
2021-02-25 14:57:29 +01:00
|
|
|
ianalyt_lap 1 isc 2 nspin1 1 nspin2 1 ifock 0
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
## file ends here
|
|
|
|
|
|
|
|
# global vmc/dmc settings
|
|
|
|
|
|
|
|
# &general unit Hartrees mass 0.5 nforce 1
|
|
|
|
# &general seed 1837465927472523
|
|
|
|
# &general ipr -1
|
2021-02-25 12:41:14 +01:00
|
|
|
|
2021-02-25 14:57:29 +01:00
|
|
|
#&dmc idmc 2
|
|
|
|
#&dmc nfprod 100
|
|
|
|
#&dmc ipq 1 itau_eff 1 iacc_rej 1 icross 1
|
|
|
|
#&dmc icuspg 0 idiv_v 0 icut_br 0 icut_e 0
|
2021-02-25 12:41:14 +01:00
|
|
|
|
2021-02-25 14:57:29 +01:00
|
|
|
#&vmc imetro 6
|
|
|
|
#&vmc deltar 5. deltat 1.
|
|
|
|
#&vmc delta 1. fbias 1.
|
2021-02-25 12:41:14 +01:00
|
|
|
|
2021-02-25 14:57:29 +01:00
|
|
|
#&pseudo nloc 4 nquad 6
|