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

2004-10-07 Thread Engin DELÝGÖZ 

Hello
data pseudopotential generation of S element

pg   Sulfur
   tm20.00
n=S  c=ca
  0.0   0.0   0.0   0.0   0.0   0.0
   34
   30 2.000 0.000
   31 4.000 0.000
   32 0.000 0.000
   43 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





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

2004-10-07 Thread Xiang-Yang (Benjamin) Liu 

Hello,

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

Best regards,
Benjamin Liu