UT theoretical chemistry code forum

after i calcuted the pdos of one Ag doping in the first layer of Mg surface which has 5 layers,i entered “bader CHGCAR”，then came out the result following as
# X Y Z CHARGE MIN DIST ATOMIC VOL
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1 3.6778 3.1843 10.0972 15.8971 1.9607 147.5288
2 4.5963 1.5933 7.8222 0.9859 0.0717 11.4702 （No.1 is Ag others are Mg, you can see No.8 is 0.that's so weird）
3 0.9800 1.6228 10.4674 1.9149 0.0381 86.5770
4 3.6736 0.0677 10.4673 1.5834 0.0454 71.0680
5 6.4356 -1.5925 10.5053 1.8922 0.0795 83.5332
6 0.9801 4.7466 10.4673 1.4715 0.0454 67.5903
7 6.3789 1.6296 10.4673 1.5585 0.0454 70.0897
8 0.9194 7.9619 10.4792 0.0000 0.0000 0.0000
9 3.6736 6.3017 10.4673 2.0342 0.0454 90.2108
10 6.3789 4.7398 10.4674 1.9232 0.0381 86.6146
11 1.8337 -0.0089 7.8142 2.1352 0.0358 24.6561
12 4.5946 -1.5925 7.8425 2.5908 0.0257 30.0541
13 7.3561 -3.1868 7.8425 2.6973 0.0343 31.2637
14 1.8399 3.1847 7.8223 0.8247 0.0514 9.6378
15 7.3561 0.0019 7.8425 2.5909 0.0257 30.0545
16 1.8337 6.3783 7.8142 1.8067 0.0484 20.9410
17 4.5963 4.7761 7.8223 0.8172 0.0514 9.5459
18 7.3652 3.1847 7.8142 1.8130 0.0358 21.0205
19 0.9177 1.5923 5.2115 2.0726 0.0286 23.7888
20 3.6783 -0.0015 5.2114 2.0564 0.0369 23.5958
21 6.4356 -1.5924 5.2162 2.1241 0.0380 24.4967
22 0.9177 4.7772 5.2115 2.0204 0.0142 23.1937
23 3.6775 3.1848 5.2059 2.4385 0.0654 28.0188
24 6.4365 1.5910 5.2114 2.0393 0.0369 23.3962
25 0.9194 7.9620 5.1968 2.3006 0.0356 26.2262
26 3.6783 6.3710 5.2115 2.0207 0.0142 23.1981
27 6.4365 4.7786 5.2115 2.0501 0.0286 23.5166
28 1.8387 0.0000 2.6020 2.2526 0.0422 25.6898
29 4.5969 -1.5924 2.6020 2.4114 0.0341 27.5018
30 7.3550 -3.1848 2.6020 1.7264 0.0422 19.8047
31 1.8387 3.1848 2.6020 1.7170 0.0490 19.6913
32 4.5969 1.5923 2.6020 1.9214 0.0698 21.9717
33 7.3550 0.0000 2.6020 2.1303 0.0341 24.3212
34 1.8387 6.3696 2.6020 1.6851 0.0490 19.3381
35 4.5969 4.7772 2.6020 1.7169 0.0490 19.6898
36 7.3550 3.1848 2.6020 1.9096 0.0422 21.8440
37 0.9194 1.5924 0.0000 2.0684 0.0287 78.6413
38 3.6774 0.0000 0.0000 1.8985 0.0380 76.3860
39 6.4356 -1.5924 0.0000 1.8836 0.0380 76.3700
40 0.9194 4.7772 0.0000 2.0237 0.0144 78.2163
41 3.6774 3.1849 0.0000 2.2474 0.0144 80.0713
42 6.4356 1.5924 0.0000 1.9056 0.0380 76.7374
43 0.9194 7.9620 0.0000 1.8827 0.0287 76.5524
44 3.6774 6.3696 0.0000 2.0214 0.0144 77.8543
45 6.4356 4.7772 0.0000 1.9384 0.0287 76.6820
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NUMBER OF ELECTRONS: 99.00000

Many thanks in advance for any help with this
drogan

Did you add core charge as explained here:
http://theory.cm.utexas.edu/vtsttools/bader/vasp.php

you didn't add core charge.i just wanted valence charge.does it muse add core charge?

You should do the partitioning on the core charge and integrate over the valance, following the directions on that web page.

if i just enter "bader CHGCAR",what do the datas mean? is it right or wrong？