loos/srDFT_G2
1
0
Fork 0
Code Issues Pull Requests Releases Wiki Activity
srDFT_G2/Data/data_sr_dft_new/data_VDZ
History
Emmanuel Giner 4b575a7bf0 added final data
2018-12-19 14:26:23 +01:00
..
data_Be_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_Be_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_Be_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_BeH_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_BeH_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_BeH_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_C2H2_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_C2H2_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_C2H2_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_C2H4_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_C2H4_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_C2H4_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_C2H6_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_C2H6_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_C2H6_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_C_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_C_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_C_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_CH2_1A1_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_CH2_1A1_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_CH2_1A1_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_CH2_3B1_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_CH2_3B1_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_CH2_3B1_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_CH3_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_CH3_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_CH3_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_CH3Cl_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_CH3Cl_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_CH3Cl_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_CH4_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_CH4_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_CH4_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_CH_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_CH_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_CH_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_Cl2_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_Cl2_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_Cl2_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_Cl_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_Cl_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_Cl_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_ClF_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_ClF_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_ClF_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_ClO_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_ClO_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_ClO_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_CN_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_CN_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_CN_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_CO2_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_CO2_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_CO2_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_CO_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_CO_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_CO_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_CS_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_CS_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_CS_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_F2_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_F2_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_F2_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_F_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_F_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_F_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_final_VDZ
added final data
2018-12-19 14:26:23 +01:00
data_H2CO_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_H2CO_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_H2CO_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_H2O2_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_H2O2_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_H2O2_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_H2O_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_H2O_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_H2O_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_H2S_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_H2S_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_H2S_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_H3COH_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_H3COH_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_H3COH_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_H3CSH_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_H3CSH_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_H3CSH_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_H_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_H_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_H_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_HCl_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_HCl_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_HCl_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_HCN_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_HCN_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_HCN_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_HCO_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_HCO_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_HCO_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_HF_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_HF_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_HF_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_HOCl_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_HOCl_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_HOCl_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_Li2_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_Li2_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_Li2_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_Li_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_Li_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_Li_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_LiF_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_LiF_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_LiF_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_LiH_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_LiH_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_LiH_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_N2_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_N2_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_N2_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_N2H4_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_N2H4_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_N2H4_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_N_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_N_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_N_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_Na2_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_Na2_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_Na2_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_Na_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_Na_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_Na_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_NaCl_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_NaCl_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_NaCl_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_NH2_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_NH2_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_NH2_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_NH3_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_NH3_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_NH3_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_NH_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_NH_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_NH_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_NO_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_NO_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_NO_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_O2_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_O2_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_O2_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_O_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_O_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_O_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_OH_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_OH_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_OH_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_P2_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_P2_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_P2_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_P_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_P_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_P_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_PH2_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_PH2_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_PH2_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_PH3_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_PH3_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_PH3_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_S2_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_S2_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_S2_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_S_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_S_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_S_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_Si2_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_Si2_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_Si2_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_Si2H6_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_Si2H6_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_Si2H6_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_Si_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_Si_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_Si_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_SiH2_1A1_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_SiH2_1A1_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_SiH2_1A1_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_SiH2_3B1_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_SiH2_3B1_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_SiH2_3B1_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_SiH3_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_SiH3_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_SiH3_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_SiH4_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_SiH4_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_SiH4_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_SiO_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_SiO_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_SiO_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_SO2_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_SO2_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_SO2_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_SO_cc-pVDZ
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_SO_cc-pVDZ_HF_LDA
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00
data_SO_cc-pVDZ_HF_PBE
adde data_sr_dft_new/
2018-12-19 12:47:52 +01:00