Dear Experts,

I have calculated the pdos of MoS2 sheet... Where, I have observed two s
orbitals and two p orbital pdos files for Mo. The no. of pdos files for d
orbital is only one, though.
The electron configuration of Mo is [Kr] 5s1 4d5. Then, How am I getting
two s and two p pdos files ???

The input scripts and the screen shot have been attached with  the mail.

Awaiting your suggestions,

Sincerely,
B S Bhushan,
Ph.D Scholar,
ABV - Indian Institute of Information Technology and Management, Gwalior,
India.

Attachment: mos2_nscf.in
Description: Binary data

Attachment: mos2.in
Description: Binary data

Attachment: pdos_mos2.in
Description: Binary data

Attachment: dos_mos2.in
Description: Binary data

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