[Wien] Modifications in phonon script

[Ghosh SUDDHASATTWA]

Dear Prof. Blaha, 

My phonon script looks like 

#!/bin/csh -f

#

set file=AB2_phonon

#

foreach i ( \\

       1   \\

       2   \\

       3   \\

       4   \\

       5   \\

       6   \\

       7   \\

       8   \\

       9   \\

       10   \\

       11   \\

       12   \\

       13   \\

       14   \\

       15   \\

       16   \\

       17   \\

       18   \\

  )

 cd case_$i

 echo running case_$i

#

# select other options if necessary

  run_lapw -I -i 40 -p -fc 0.1

#

# select other save-name if necessary

  save_lapw case_${i}_gga_rkm8.00_12000k

 

I have a querie on the run_lapw command 

 

As is mentioned in the UG, 

"modify the script according to your needs.."

 

My queries are 

 

1.	Can we include spin orbit coupling  run_lapw -I -i 200 -so -p -fc
0.1 

 

2.	Can we modify like run_lapw -I -i 200 -so -ec 0.0001 -cc 0.001 -fc
0.1 -p 

 

Thank you 

 

Suddhasattwa 

 

 

 

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