PZ-SIC

Xiaoming Wang wxia... at gmail.com
Mon Jan 1 01:22:18 UTC 2018


Hello,

Can anyone comment on the PZ-SIC method (not the scaled PZ) implemented in 
CP2K? I used the following setup to do PZ-SIC calculation on all the 
orbitals, but the calculation got stuck at the very beginning. There is no 
error report cause the monitor shows the job is still running. 

...
LSD
&SIC
  ORBITAL_SET ALL
  SIC_METHOD EXPLICIT_ORBITALS
&END SIC
...

Best,
Xiaoming
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