[Wien] [Wien2k Users] Supercell Construction

[Ghosh SUDDHASATTWA]

Dear Wien2k users, 

I seek the following clarifications on the supercell program

1. In case, we do not have a structure file, can we call the "supercell"
program using "single program in w2web" and make a supercell. The UG shows
only a modification in the case.struct file using supercell. 

2. The PHONON also has a module for the construction of a supercell. In
case, we import this file in Wien2k, would Wien2k automatically go the SCF
initialization as we have not initialized our system for SCF run? 

 

Suddhasattwa Ghosh 

 

 

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