Home
last modified time | relevance | path

Searched refs:v2rhoasigmaaa (Results 1 – 24 of 24) sorted by relevance

/dports/science/libxc/libxc-5.0.0/testsuite/df_repo/
H A Dgga_xc_hcth_407.data16 v2rhoasigmaaa = -0.739453940802E-02
42 v2rhoasigmaaa = -0.104460236673E-02
68 v2rhoasigmaaa = 0.174356919992E-02
94 v2rhoasigmaaa = 0.124150653529E+01
120 v2rhoasigmaaa = -0.172630445503E-09
146 v2rhoasigmaaa = -0.172622819803E-09
172 v2rhoasigmaaa = 0.632140896207E-10
198 v2rhoasigmaaa = 0.152383821432E+00
224 v2rhoasigmaaa = -0.405615028260E-13
250 v2rhoasigmaaa = 0.174869711697E-13
[all …]
H A Dlda_x.data16 v2rhoasigmaaa = 0.000000000000E+00
42 v2rhoasigmaaa = 0.000000000000E+00
68 v2rhoasigmaaa = 0.000000000000E+00
94 v2rhoasigmaaa = 0.000000000000E+00
120 v2rhoasigmaaa = 0.000000000000E+00
146 v2rhoasigmaaa = 0.000000000000E+00
172 v2rhoasigmaaa = 0.000000000000E+00
198 v2rhoasigmaaa = 0.000000000000E+00
224 v2rhoasigmaaa = 0.000000000000E+00
250 v2rhoasigmaaa = 0.000000000000E+00
[all …]
H A Dlda_c_vwn_rpa.data16 v2rhoasigmaaa = 0.000000000000E+00
42 v2rhoasigmaaa = 0.000000000000E+00
68 v2rhoasigmaaa = 0.000000000000E+00
94 v2rhoasigmaaa = 0.000000000000E+00
120 v2rhoasigmaaa = 0.000000000000E+00
146 v2rhoasigmaaa = 0.000000000000E+00
172 v2rhoasigmaaa = 0.000000000000E+00
198 v2rhoasigmaaa = 0.000000000000E+00
224 v2rhoasigmaaa = 0.000000000000E+00
250 v2rhoasigmaaa = 0.000000000000E+00
[all …]
H A Dgga_c_p86.data16 v2rhoasigmaaa = -0.326275462868E-03
42 v2rhoasigmaaa = -0.228585687716E-03
68 v2rhoasigmaaa = -0.493923795453E-05
94 v2rhoasigmaaa = 0.354447185309E-01
120 v2rhoasigmaaa = -0.286183881794E-10
146 v2rhoasigmaaa = -0.284185255134E-10
172 v2rhoasigmaaa = 0.490124188590E-11
198 v2rhoasigmaaa = -0.470989252647E-02
224 v2rhoasigmaaa = -0.106445604178E-13
250 v2rhoasigmaaa = 0.144937327450E-15
[all …]
H A Dgga_x_ft97_b.data16 v2rhoasigmaaa = 0.112631812686E-02
42 v2rhoasigmaaa = 0.112624324247E-02
68 v2rhoasigmaaa = 0.143251479532E-02
94 v2rhoasigmaaa = 0.714424943332E+00
120 v2rhoasigmaaa = 0.985687849651E-10
146 v2rhoasigmaaa = 0.986567217657E-10
172 v2rhoasigmaaa = 0.159799102049E-09
198 v2rhoasigmaaa = 0.865749660907E-01
224 v2rhoasigmaaa = 0.371775517540E-13
250 v2rhoasigmaaa = 0.603172306456E-13
[all …]
H A Dgga_x_pbe.data16 v2rhoasigmaaa = 0.129934097915E-02
42 v2rhoasigmaaa = 0.128494322308E-02
68 v2rhoasigmaaa = 0.123846484420E-02
94 v2rhoasigmaaa = 0.154401191219E+00
120 v2rhoasigmaaa = 0.113710728070E-09
146 v2rhoasigmaaa = 0.113710673089E-09
172 v2rhoasigmaaa = 0.111691289742E-09
198 v2rhoasigmaaa = 0.783950736036E-01
224 v2rhoasigmaaa = 0.424743677402E-13
250 v2rhoasigmaaa = 0.425352935840E-13
[all …]
H A Dgga_x_pw91.data16 v2rhoasigmaaa = 0.731014421969E-03
42 v2rhoasigmaaa = 0.220538404493E-02
68 v2rhoasigmaaa = 0.102586616094E-02
94 v2rhoasigmaaa = 0.153311051900E+00
120 v2rhoasigmaaa = 0.639741104304E-10
146 v2rhoasigmaaa = 0.639877664823E-10
172 v2rhoasigmaaa = 0.947616778029E-10
198 v2rhoasigmaaa = 0.669398749951E-01
224 v2rhoasigmaaa = 0.238962557561E-13
250 v2rhoasigmaaa = 0.363725780955E-13
[all …]
H A Dgga_xc_hcth_93.data16 v2rhoasigmaaa = -0.739529602307E-03
42 v2rhoasigmaaa = -0.740607378614E-03
68 v2rhoasigmaaa = 0.148448513819E-02
94 v2rhoasigmaaa = 0.126318550023E+01
120 v2rhoasigmaaa = -0.886074410839E-10
146 v2rhoasigmaaa = -0.886070879227E-10
172 v2rhoasigmaaa = 0.824134553702E-10
198 v2rhoasigmaaa = 0.102656027402E+00
224 v2rhoasigmaaa = -0.342414050472E-13
250 v2rhoasigmaaa = 0.266150650852E-13
[all …]
H A Dgga_xc_b97_2.data13 v2rhoasigmaaa = -0.182785462300E-02
39 v2rhoasigmaaa = -0.686503839618E-03
65 v2rhoasigmaaa = 0.975684257194E-03
91 v2rhoasigmaaa = 0.729729058826E+00
117 v2rhoasigmaaa = -0.246137881553E-10
143 v2rhoasigmaaa = -0.246126951639E-10
169 v2rhoasigmaaa = 0.693764416376E-10
195 v2rhoasigmaaa = 0.647642064563E-01
221 v2rhoasigmaaa = -0.236807848312E-14
247 v2rhoasigmaaa = 0.246011190040E-13
[all …]
H A Dgga_xc_edf1.data16 v2rhoasigmaaa = 0.170398824729E-03
42 v2rhoasigmaaa = 0.273462094370E-03
68 v2rhoasigmaaa = 0.113824537120E-02
94 v2rhoasigmaaa = 0.543812216100E+00
120 v2rhoasigmaaa = 0.291541680912E-10
146 v2rhoasigmaaa = 0.291546399502E-10
172 v2rhoasigmaaa = 0.115157780815E-09
198 v2rhoasigmaaa = 0.599463862758E-01
224 v2rhoasigmaaa = 0.114215954616E-13
250 v2rhoasigmaaa = 0.436971261297E-13
[all …]
H A Dhyb_gga_xc_b3lyp.data16 v2rhoasigmaaa = 0.105592839796E-02
42 v2rhoasigmaaa = 0.993868359460E-03
68 v2rhoasigmaaa = 0.605149740433E-03
94 v2rhoasigmaaa = -0.123500815668E-01
120 v2rhoasigmaaa = 0.101015443866E-09
146 v2rhoasigmaaa = 0.101015166421E-09
172 v2rhoasigmaaa = 0.681575421953E-10
198 v2rhoasigmaaa = 0.363141897451E-01
224 v2rhoasigmaaa = 0.380539524393E-13
250 v2rhoasigmaaa = 0.265777258573E-13
[all …]
H A Dlda_c_pw.data16 v2rhoasigmaaa = 0.000000000000E+00
42 v2rhoasigmaaa = 0.000000000000E+00
68 v2rhoasigmaaa = 0.000000000000E+00
94 v2rhoasigmaaa = 0.000000000000E+00
120 v2rhoasigmaaa = 0.000000000000E+00
146 v2rhoasigmaaa = 0.000000000000E+00
172 v2rhoasigmaaa = 0.000000000000E+00
198 v2rhoasigmaaa = 0.000000000000E+00
224 v2rhoasigmaaa = 0.000000000000E+00
250 v2rhoasigmaaa = 0.000000000000E+00
[all …]
H A Dlda_c_pz.data16 v2rhoasigmaaa = 0.000000000000E+00
42 v2rhoasigmaaa = 0.000000000000E+00
68 v2rhoasigmaaa = 0.000000000000E+00
94 v2rhoasigmaaa = 0.000000000000E+00
120 v2rhoasigmaaa = 0.000000000000E+00
146 v2rhoasigmaaa = 0.000000000000E+00
172 v2rhoasigmaaa = 0.000000000000E+00
198 v2rhoasigmaaa = 0.000000000000E+00
224 v2rhoasigmaaa = 0.000000000000E+00
250 v2rhoasigmaaa = 0.000000000000E+00
[all …]
H A Dlda_c_vwn.data16 v2rhoasigmaaa = 0.000000000000E+00
42 v2rhoasigmaaa = 0.000000000000E+00
68 v2rhoasigmaaa = 0.000000000000E+00
94 v2rhoasigmaaa = 0.000000000000E+00
120 v2rhoasigmaaa = 0.000000000000E+00
146 v2rhoasigmaaa = 0.000000000000E+00
172 v2rhoasigmaaa = 0.000000000000E+00
198 v2rhoasigmaaa = 0.000000000000E+00
224 v2rhoasigmaaa = 0.000000000000E+00
250 v2rhoasigmaaa = 0.000000000000E+00
[all …]
H A Dgga_c_lyp.data16 v2rhoasigmaaa = -0.139567528486E-03
42 v2rhoasigmaaa = -0.139567528486E-03
68 v2rhoasigmaaa = -0.192341863313E-03
94 v2rhoasigmaaa = -0.228361811495E+00
120 v2rhoasigmaaa = -0.158850198364E-11
146 v2rhoasigmaaa = -0.158850198364E-11
172 v2rhoasigmaaa = -0.217196289305E-11
198 v2rhoasigmaaa = -0.160681338920E-01
224 v2rhoasigmaaa = -0.196249114596E-15
250 v2rhoasigmaaa = -0.270252437366E-15
[all …]
H A Dgga_c_pbe.data16 v2rhoasigmaaa = -0.324835244787E-03
42 v2rhoasigmaaa = -0.281023204875E-03
68 v2rhoasigmaaa = 0.267671090070E-04
94 v2rhoasigmaaa = 0.746427566937E-01
120 v2rhoasigmaaa = -0.284276819003E-10
146 v2rhoasigmaaa = -0.284258379026E-10
172 v2rhoasigmaaa = 0.183107776239E-11
198 v2rhoasigmaaa = -0.305698872548E-02
224 v2rhoasigmaaa = -0.106185890697E-13
250 v2rhoasigmaaa = 0.270195164309E-15
[all …]
H A Dgga_c_pw91.data16 v2rhoasigmaaa = -0.381075641669E-03
42 v2rhoasigmaaa = -0.228201504472E-03
68 v2rhoasigmaaa = 0.283860923411E-04
94 v2rhoasigmaaa = 0.575363016683E-01
120 v2rhoasigmaaa = -0.334157735379E-10
146 v2rhoasigmaaa = -0.334125757620E-10
172 v2rhoasigmaaa = 0.139737398346E-11
198 v2rhoasigmaaa = -0.195075654625E-02
224 v2rhoasigmaaa = -0.124407912518E-13
250 v2rhoasigmaaa = 0.201213149017E-15
[all …]
H A Dgga_x_b88.data16 v2rhoasigmaaa = 0.162358068893E-02
42 v2rhoasigmaaa = 0.153738619102E-02
68 v2rhoasigmaaa = 0.105687034683E-02
94 v2rhoasigmaaa = 0.239754146866E+00
120 v2rhoasigmaaa = 0.142086292324E-09
146 v2rhoasigmaaa = 0.142085906983E-09
172 v2rhoasigmaaa = 0.971067113036E-10
198 v2rhoasigmaaa = 0.685130252745E-01
224 v2rhoasigmaaa = 0.530734919752E-13
250 v2rhoasigmaaa = 0.372175421272E-13
[all …]
H A Dgga_xc_b97.data13 v2rhoasigmaaa = 0.788320330617E-02
39 v2rhoasigmaaa = 0.301664203956E-02
65 v2rhoasigmaaa = 0.991152719927E-03
91 v2rhoasigmaaa = 0.484559490595E+00
117 v2rhoasigmaaa = 0.178983422702E-09
143 v2rhoasigmaaa = 0.178978953277E-09
169 v2rhoasigmaaa = 0.865822971230E-10
195 v2rhoasigmaaa = 0.376804719959E-01
221 v2rhoasigmaaa = 0.411919803939E-13
247 v2rhoasigmaaa = 0.331495319063E-13
[all …]
H A Dgga_xc_b97_1.data13 v2rhoasigmaaa = 0.909025783282E-02
39 v2rhoasigmaaa = 0.346318176127E-02
65 v2rhoasigmaaa = 0.101889939003E-02
91 v2rhoasigmaaa = 0.399884763528E+00
117 v2rhoasigmaaa = 0.205246310613E-09
143 v2rhoasigmaaa = 0.205241135381E-09
169 v2rhoasigmaaa = 0.912426804471E-10
195 v2rhoasigmaaa = 0.361488479843E-01
221 v2rhoasigmaaa = 0.470137481962E-13
247 v2rhoasigmaaa = 0.351499640706E-13
[all …]
H A Dgga_xc_hcth_120.data16 v2rhoasigmaaa = -0.963907895726E-03
42 v2rhoasigmaaa = -0.517849594147E-03
68 v2rhoasigmaaa = 0.173621941019E-02
94 v2rhoasigmaaa = 0.120318163510E+01
120 v2rhoasigmaaa = -0.928068908086E-10
146 v2rhoasigmaaa = -0.928059547893E-10
172 v2rhoasigmaaa = 0.796172632466E-10
198 v2rhoasigmaaa = 0.136580135032E+00
224 v2rhoasigmaaa = -0.349737835737E-13
250 v2rhoasigmaaa = 0.240814826820E-13
[all …]
H A Dgga_xc_hcth_147.data16 v2rhoasigmaaa = -0.192950180722E-03
42 v2rhoasigmaaa = -0.113718298139E-02
68 v2rhoasigmaaa = 0.165722386865E-02
94 v2rhoasigmaaa = 0.120001097278E+01
120 v2rhoasigmaaa = -0.857427039445E-10
146 v2rhoasigmaaa = -0.857436092411E-10
172 v2rhoasigmaaa = 0.824271652892E-10
198 v2rhoasigmaaa = 0.130686805928E+00
224 v2rhoasigmaaa = -0.353694174693E-13
250 v2rhoasigmaaa = 0.254524796099E-13
[all …]
/dports/science/madness/madness-ebb3fd7/src/apps/hf/
H A Dlda.h436 doublereal *vsigmaaa, doublereal *v2rhoa2, doublereal *v2rhoasigmaaa, in rks_c_vwn5__() argument
491 --v2rhoasigmaaa; in rks_c_vwn5__()
717 doublereal *vsigmaaa, doublereal *v2rhoa2, doublereal *v2rhoasigmaaa, in rks_x_lda__() argument
765 --v2rhoasigmaaa; in rks_x_lda__()
/dports/science/multiwfn/gMultiwfn-3.4.1-0-14-ge873677/src/
H A DDFTxclib.F763 v2rhoasigmaaa(i) = 0.0d0
951 v2rhoasigmaaa(i) = 0.0d0
1281 v2rhoasigmaaa(i) = 0.0d0
1416 v2rhoasigmaaa(i) = 0.0d0
2159 v2rhoasigmaaa(i) = 0.0d0
2406 v2rhoasigmaaa(i) = 0.0d0
4541 v2rhoasigmaaa(i) = 0.0d0
4827 v2rhoasigmaaa(i) = 0.0d0
5335 v2rhoasigmaaa(i) = 0.0d0
5593 v2rhoasigmaaa(i) = 0.0d0
[all …]