DFTB_D3H5.zip
DFTB_D3H5
Ec_AZD_w_0.npy
56.4 kB
Ec_AZD_w_05.npy
56.4 kB
Ec_AZD_w_1.npy
56.4 kB
Ec_AZD_w_2.npy
56.4 kB
Ec_AZD_w_4.npy
22.7 kB
Ec_H2O_w_05.npy
7.2 kB
Ec_H2O_w_1.npy
14.2 kB
Ec_H2O_w_2.npy
28.7 kB
Ec_H2O_w_4.npy
23.4 kB
Ee_AZD_w_0.npy
56.4 kB
Ee_AZD_w_05.npy
56.4 kB
Ee_AZD_w_1.npy
56.4 kB
Ee_AZD_w_2.npy
56.4 kB
Ee_AZD_w_4.npy
22.7 kB
Ee_H2O_w_05.npy
7.2 kB
Ee_H2O_w_1.npy
14.2 kB
Ee_H2O_w_2.npy
28.7 kB
Ee_H2O_w_4.npy
23.4 kB
Ef_AZD_2_w_0.npy
56.4 kB
Ef_AZD_2_w_05.npy
56.4 kB
Ef_AZD_2_w_1.npy
56.4 kB
Ef_AZD_2_w_2.npy
56.4 kB
Ef_AZD_2_w_4.npy
22.7 kB
Ef_AZD_w_0.npy
56.4 kB
Ef_AZD_w_05.npy
56.4 kB
Ef_AZD_w_1.npy
56.4 kB
Ef_AZD_w_2.npy
56.4 kB
Ef_AZD_w_4.npy
22.7 kB
Ef_H2O_2_w_05.npy
7.2 kB
Ef_H2O_2_w_1.npy
14.2 kB
Ef_H2O_2_w_2.npy
28.7 kB
Ef_H2O_2_w_4.npy
23.4 kB
Ef_H2O_w_05.npy
7.2 kB
Ef_H2O_w_1.npy
14.2 kB
Ef_H2O_w_2.npy
28.7 kB
Ef_H2O_w_4.npy
23.4 kB
Et_AZD_w_0.npy
56.4 kB
Et_AZD_w_05.npy
56.4 kB
Et_AZD_w_1.npy
56.4 kB
Et_AZD_w_2.npy
56.4 kB
Et_AZD_w_4.npy
22.7 kB
Et_H2O_w_05.npy
7.2 kB
Et_H2O_w_1.npy
14.2 kB
Et_H2O_w_2.npy
28.7 kB
Et_H2O_w_4.npy
23.4 kB
Sample_input
amcell-4_1_last100ns_frame0_ind_1
dftb.out
4.3 kB
dftb_in.hsd
28.8 kB
amcell-4_1_last100ns_frame0_ind_1_C
dftb.out
4.1 kB
dftb_in.hsd
2.6 kB
amcell-4_1_last100ns_frame0_ind_1_E
dftb.out
4.3 kB
dftb_in.hsd
27.4 kB