Re: [SIESTA-L] Pseudopotential input for S (sulphur)

[Engin DELÝGÖZ]

Hello
data pseudopotential generation of S element

pg       Sulfur
       tm2        0.00
n=S  c=ca
      0.0       0.0       0.0       0.0       0.0       0.0
   3    4
   3    0     2.000     0.000
   3    1     4.000     0.000
   3    2     0.000     0.000
   4    3     0.000     0.000
    1.700     1.700     1.700     1.700

Best regards

"Xiang-Yang (Benjamin) Liu" <[EMAIL PROTECTED]> dedi:

Hello,

Anybody has experience with pseudopotential generation of S element?
Your information is greatly appreciated.

Best regards,
Benjamin Liu

--