mirror of https://github.com/abinit/abinit.git
3611 lines
259 KiB
Plaintext
3611 lines
259 KiB
Plaintext
Ti ONCVPSP r_core= 1.36 1.31 1.66
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22.0000 12.0000 170103 zatom,zion,pspd
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8 -1012 2 4 600 0 pspcod,pspxc,lmax,lloc,mmax,r2well
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5.99000000 3.00000000 0.00000000 rchrg fchrg qchrg
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2 2 2 0 0 nproj
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0 extension_switch
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558 5.5700000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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559 5.5800000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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2 -5.5527229948923D+00 -1.7003843860394D+00
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520 5.1900000000000D+00 0.0000000000000D+00 0.0000000000000D+00
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521 5.2000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
522 5.2100000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
523 5.2200000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
524 5.2300000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
525 5.2400000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
526 5.2500000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
527 5.2600000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
528 5.2700000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
529 5.2800000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
530 5.2900000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
531 5.3000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
532 5.3100000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
533 5.3200000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
534 5.3300000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
535 5.3400000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
536 5.3500000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
537 5.3600000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
538 5.3700000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
539 5.3800000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
540 5.3900000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
541 5.4000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
542 5.4100000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
543 5.4200000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
544 5.4300000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
545 5.4400000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
546 5.4500000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
547 5.4600000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
548 5.4700000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
549 5.4800000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
550 5.4900000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
551 5.5000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
552 5.5100000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
553 5.5200000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
554 5.5300000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
555 5.5400000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
556 5.5500000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
557 5.5600000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
558 5.5700000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
559 5.5800000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
560 5.5900000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
561 5.6000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
562 5.6100000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
563 5.6200000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
564 5.6300000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
565 5.6400000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
566 5.6500000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
567 5.6600000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
568 5.6700000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
569 5.6800000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
570 5.6900000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
571 5.7000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
572 5.7100000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
573 5.7200000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
574 5.7300000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
575 5.7400000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
576 5.7500000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
577 5.7600000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
578 5.7700000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
579 5.7800000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
580 5.7900000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
581 5.8000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
582 5.8100000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
583 5.8200000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
584 5.8300000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
585 5.8400000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
586 5.8500000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
587 5.8600000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
588 5.8700000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
589 5.8800000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
590 5.8900000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
591 5.9000000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
592 5.9100000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
593 5.9200000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
594 5.9300000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
595 5.9400000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
596 5.9500000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
597 5.9600000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
598 5.9700000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
599 5.9800000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
600 5.9900000000000D+00 0.0000000000000D+00 0.0000000000000D+00
|
|
4
|
|
1 0.0000000000000D+00 -1.9004639939330D+01
|
|
2 1.0000000000000D-02 -1.9003919678999D+01
|
|
3 2.0000000000000D-02 -1.9001757395984D+01
|
|
4 3.0000000000000D-02 -1.8998151856751D+01
|
|
5 4.0000000000000D-02 -1.8993100742510D+01
|
|
6 5.0000000000000D-02 -1.8986600755168D+01
|
|
7 6.0000000000000D-02 -1.8978647668367D+01
|
|
8 7.0000000000000D-02 -1.8969236351196D+01
|
|
9 8.0000000000000D-02 -1.8958360792118D+01
|
|
10 9.0000000000000D-02 -1.8946014126218D+01
|
|
11 1.0000000000000D-01 -1.8932188666412D+01
|
|
12 1.1000000000000D-01 -1.8916875938823D+01
|
|
13 1.2000000000000D-01 -1.8900066722405D+01
|
|
14 1.3000000000000D-01 -1.8881751092882D+01
|
|
15 1.4000000000000D-01 -1.8861918471031D+01
|
|
16 1.5000000000000D-01 -1.8840557675328D+01
|
|
17 1.6000000000000D-01 -1.8817656978988D+01
|
|
18 1.7000000000000D-01 -1.8793204171375D+01
|
|
19 1.8000000000000D-01 -1.8767186623783D+01
|
|
20 1.9000000000000D-01 -1.8739591359552D+01
|
|
21 2.0000000000000D-01 -1.8710405128439D+01
|
|
22 2.1000000000000D-01 -1.8679614485196D+01
|
|
23 2.2000000000000D-01 -1.8647205872203D+01
|
|
24 2.3000000000000D-01 -1.8613165706041D+01
|
|
25 2.4000000000000D-01 -1.8577480467808D+01
|
|
26 2.5000000000000D-01 -1.8540136796957D+01
|
|
27 2.6000000000000D-01 -1.8501121588401D+01
|
|
28 2.7000000000000D-01 -1.8460422092567D+01
|
|
29 2.8000000000000D-01 -1.8418026018058D+01
|
|
30 2.9000000000000D-01 -1.8373921636508D+01
|
|
31 3.0000000000000D-01 -1.8328097889188D+01
|
|
32 3.1000000000000D-01 -1.8280544494859D+01
|
|
33 3.2000000000000D-01 -1.8231252058337D+01
|
|
34 3.3000000000000D-01 -1.8180212179163D+01
|
|
35 3.4000000000000D-01 -1.8127417559756D+01
|
|
36 3.5000000000000D-01 -1.8072862112381D+01
|
|
37 3.6000000000000D-01 -1.8016541064227D+01
|
|
38 3.7000000000000D-01 -1.7958451059872D+01
|
|
39 3.8000000000000D-01 -1.7898590260397D+01
|
|
40 3.9000000000000D-01 -1.7836958438395D+01
|
|
41 4.0000000000000D-01 -1.7773557068146D+01
|
|
42 4.1000000000000D-01 -1.7708389410212D+01
|
|
43 4.2000000000000D-01 -1.7641460589759D+01
|
|
44 4.3000000000000D-01 -1.7572777667936D+01
|
|
45 4.4000000000000D-01 -1.7502349705694D+01
|
|
46 4.5000000000000D-01 -1.7430187819490D+01
|
|
47 4.6000000000000D-01 -1.7356305228376D+01
|
|
48 4.7000000000000D-01 -1.7280717292074D+01
|
|
49 4.8000000000000D-01 -1.7203441539711D+01
|
|
50 4.9000000000000D-01 -1.7124497688974D+01
|
|
51 5.0000000000000D-01 -1.7043907655563D+01
|
|
52 5.1000000000000D-01 -1.6961695552886D+01
|
|
53 5.2000000000000D-01 -1.6877887682076D+01
|
|
54 5.3000000000000D-01 -1.6792512512474D+01
|
|
55 5.4000000000000D-01 -1.6705600652827D+01
|
|
56 5.5000000000000D-01 -1.6617184813539D+01
|
|
57 5.6000000000000D-01 -1.6527299760384D+01
|
|
58 5.7000000000000D-01 -1.6435982260156D+01
|
|
59 5.8000000000000D-01 -1.6343271018797D+01
|
|
60 5.9000000000000D-01 -1.6249206612588D+01
|
|
61 6.0000000000000D-01 -1.6153831413014D+01
|
|
62 6.1000000000000D-01 -1.6057189505955D+01
|
|
63 6.2000000000000D-01 -1.5959326605850D+01
|
|
64 6.3000000000000D-01 -1.5860289965499D+01
|
|
65 6.4000000000000D-01 -1.5760128282138D+01
|
|
66 6.5000000000000D-01 -1.5658891600439D+01
|
|
67 6.6000000000000D-01 -1.5556631213020D+01
|
|
68 6.7000000000000D-01 -1.5453399559062D+01
|
|
69 6.8000000000000D-01 -1.5349250121561D+01
|
|
70 6.9000000000000D-01 -1.5244237323723D+01
|
|
71 7.0000000000000D-01 -1.5138416424958D+01
|
|
72 7.1000000000000D-01 -1.5031843416902D+01
|
|
73 7.2000000000000D-01 -1.4924574919824D+01
|
|
74 7.3000000000000D-01 -1.4816668079762D+01
|
|
75 7.4000000000000D-01 -1.4708180466682D+01
|
|
76 7.5000000000000D-01 -1.4599169973900D+01
|
|
77 7.6000000000000D-01 -1.4489694718997D+01
|
|
78 7.7000000000000D-01 -1.4379812946398D+01
|
|
79 7.8000000000000D-01 -1.4269582931787D+01
|
|
80 7.9000000000000D-01 -1.4159062888456D+01
|
|
81 8.0000000000000D-01 -1.4048310875724D+01
|
|
82 8.1000000000000D-01 -1.3937384709481D+01
|
|
83 8.2000000000000D-01 -1.3826341874939D+01
|
|
84 8.3000000000000D-01 -1.3715239441634D+01
|
|
85 8.4000000000000D-01 -1.3604133980719D+01
|
|
86 8.5000000000000D-01 -1.3493081484568D+01
|
|
87 8.6000000000000D-01 -1.3382137288729D+01
|
|
88 8.7000000000000D-01 -1.3271355996214D+01
|
|
89 8.8000000000000D-01 -1.3160791404162D+01
|
|
90 8.9000000000000D-01 -1.3050496432853D+01
|
|
91 9.0000000000000D-01 -1.2940523057098D+01
|
|
92 9.1000000000000D-01 -1.2830922239977D+01
|
|
93 9.2000000000000D-01 -1.2721743868950D+01
|
|
94 9.3000000000000D-01 -1.2613036694319D+01
|
|
95 9.4000000000000D-01 -1.2504848270025D+01
|
|
96 9.5000000000000D-01 -1.2397224896798D+01
|
|
97 9.6000000000000D-01 -1.2290211567625D+01
|
|
98 9.7000000000000D-01 -1.2183851915522D+01
|
|
99 9.8000000000000D-01 -1.2078188163617D+01
|
|
100 9.9000000000000D-01 -1.1973261077487D+01
|
|
101 1.0000000000000D+00 -1.1869109919760D+01
|
|
102 1.0100000000000D+00 -1.1765772406924D+01
|
|
103 1.0200000000000D+00 -1.1663284668326D+01
|
|
104 1.0300000000000D+00 -1.1561681207314D+01
|
|
105 1.0400000000000D+00 -1.1460994864469D+01
|
|
106 1.0500000000000D+00 -1.1361256782887D+01
|
|
107 1.0600000000000D+00 -1.1262496375433D+01
|
|
108 1.0700000000000D+00 -1.1164741293908D+01
|
|
109 1.0800000000000D+00 -1.1068017400039D+01
|
|
110 1.0900000000000D+00 -1.0972348738225D+01
|
|
111 1.1000000000000D+00 -1.0877757509906D+01
|
|
112 1.1100000000000D+00 -1.0784264049492D+01
|
|
113 1.1200000000000D+00 -1.0691886801698D+01
|
|
114 1.1300000000000D+00 -1.0600642300182D+01
|
|
115 1.1400000000000D+00 -1.0510545147344D+01
|
|
116 1.1500000000000D+00 -1.0421607995142D+01
|
|
117 1.1600000000000D+00 -1.0333841526777D+01
|
|
118 1.1700000000000D+00 -1.0247254439083D+01
|
|
119 1.1800000000000D+00 -1.0161853425457D+01
|
|
120 1.1900000000000D+00 -1.0077643159162D+01
|
|
121 1.2000000000000D+00 -9.9946262768168D+00
|
|
122 1.2100000000000D+00 -9.9128033618997D+00
|
|
123 1.2200000000000D+00 -9.8321729280796D+00
|
|
124 1.2300000000000D+00 -9.7527314021913D+00
|
|
125 1.2400000000000D+00 -9.6744731066742D+00
|
|
126 1.2500000000000D+00 -9.5973902412928D+00
|
|
127 1.2600000000000D+00 -9.5214728639624D+00
|
|
128 1.2700000000000D+00 -9.4467088690759D+00
|
|
129 1.2800000000000D+00 -9.3730839724101D+00
|
|
130 1.2900000000000D+00 -9.3005816687660D+00
|
|
131 1.3000000000000D+00 -9.2291833009146D+00
|
|
132 1.3100000000000D+00 -9.1588677439226D+00
|
|
133 1.3200000000000D+00 -9.0896118940241D+00
|
|
134 1.3300000000000D+00 -9.0213918635425D+00
|
|
135 1.3400000000000D+00 -8.9541840754893D+00
|
|
136 1.3500000000000D+00 -8.8879659311777D+00
|
|
137 1.3600000000000D+00 -8.8227154816822D+00
|
|
138 1.3700000000000D+00 -8.7584114693721D+00
|
|
139 1.3800000000000D+00 -8.6950333053202D+00
|
|
140 1.3900000000000D+00 -8.6325610188318D+00
|
|
141 1.4000000000000D+00 -8.5709752269420D+00
|
|
142 1.4100000000000D+00 -8.5102571271024D+00
|
|
143 1.4200000000000D+00 -8.4503884741899D+00
|
|
144 1.4300000000000D+00 -8.3913515610211D+00
|
|
145 1.4400000000000D+00 -8.3331292000412D+00
|
|
146 1.4500000000000D+00 -8.2757047049033D+00
|
|
147 1.4600000000000D+00 -8.2190618722960D+00
|
|
148 1.4700000000000D+00 -8.1631849641662D+00
|
|
149 1.4800000000000D+00 -8.1080586902612D+00
|
|
150 1.4900000000000D+00 -8.0536681909834D+00
|
|
151 1.5000000000000D+00 -7.9999990205959D+00
|
|
152 1.5100000000000D+00 -7.9470371307798D+00
|
|
153 1.5200000000000D+00 -7.8947688545647D+00
|
|
154 1.5300000000000D+00 -7.8431808906498D+00
|
|
155 1.5400000000000D+00 -7.7922602881350D+00
|
|
156 1.5500000000000D+00 -7.7419944316848D+00
|
|
157 1.5600000000000D+00 -7.6923710271457D+00
|
|
158 1.5700000000000D+00 -7.6433780876416D+00
|
|
159 1.5800000000000D+00 -7.5950039201690D+00
|
|
160 1.5900000000000D+00 -7.5472371127146D+00
|
|
161 1.6000000000000D+00 -7.5000665219177D+00
|
|
162 1.6100000000000D+00 -7.4534812612429D+00
|
|
163 1.6200000000000D+00 -7.4074706900000D+00
|
|
164 1.6300000000000D+00 -7.3620244024871D+00
|
|
165 1.6400000000000D+00 -7.3171322180864D+00
|
|
166 1.6500000000000D+00 -7.2727841721413D+00
|
|
167 1.6600000000000D+00 -7.2289705062752D+00
|
|
168 1.6700000000000D+00 -7.1856816654151D+00
|
|
169 1.6800000000000D+00 -7.1429082951049D+00
|
|
170 1.6900000000000D+00 -7.1006412444319D+00
|
|
171 1.7000000000000D+00 -7.0588715782605D+00
|
|
172 1.7100000000000D+00 -7.0175905726559D+00
|
|
173 1.7200000000000D+00 -6.9767897017790D+00
|
|
174 1.7300000000000D+00 -6.9364606332548D+00
|
|
175 1.7400000000000D+00 -6.8965952244956D+00
|
|
176 1.7500000000000D+00 -6.8571855172652D+00
|
|
177 1.7600000000000D+00 -6.8182237327618D+00
|
|
178 1.7700000000000D+00 -6.7797022669539D+00
|
|
179 1.7800000000000D+00 -6.7416136860852D+00
|
|
180 1.7900000000000D+00 -6.7039507223016D+00
|
|
181 1.8000000000000D+00 -6.6667062694017D+00
|
|
182 1.8100000000000D+00 -6.6298733787074D+00
|
|
183 1.8200000000000D+00 -6.5934452550182D+00
|
|
184 1.8300000000000D+00 -6.5574152526744D+00
|
|
185 1.8400000000000D+00 -6.5217768716777D+00
|
|
186 1.8500000000000D+00 -6.4865237539139D+00
|
|
187 1.8600000000000D+00 -6.4516496794216D+00
|
|
188 1.8700000000000D+00 -6.4171485627530D+00
|
|
189 1.8800000000000D+00 -6.3830144493885D+00
|
|
190 1.8900000000000D+00 -6.3492415122308D+00
|
|
191 1.9000000000000D+00 -6.3158240481686D+00
|
|
192 1.9100000000000D+00 -6.2827564747143D+00
|
|
193 1.9200000000000D+00 -6.2500333267233D+00
|
|
194 1.9300000000000D+00 -6.2176492531945D+00
|
|
195 1.9400000000000D+00 -6.1855990141534D+00
|
|
196 1.9500000000000D+00 -6.1538774776324D+00
|
|
197 1.9600000000000D+00 -6.1224796167335D+00
|
|
198 1.9700000000000D+00 -6.0914005067952D+00
|
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