[Wien] A problem in volume otimization with sin orbit interaction

[Lyudmila V. Dobysheva]

From 14 Nov 2010 23:08:16 Mahmoud Farout wrote:
> forrtl: severe (24): end-of-file during read, unit 81, file
>  /root/WIEN2k/Alloys/x=0.25/GGA/Optimization_SO/Optimization_SO.rsp

> error: command   /root/WIEN2010/WIEN10/dstart dstart.def   failed
> forrtl: severe (24): end-of-file during read, unit 81, file
>  /root/WIEN2k/Alloys/x=0.25/GGA/Optimization_SO/Optimization_SO.rspup

> error: command   /root/WIEN2010/WIEN10/dstart updstart.def   failed
> forrtl: severe (24): end-of-file during read, unit 81, file
>  /root/WIEN2k/Alloys/x=0.25/GGA/Optimization_SO/Optimization_SO.rspdn

Dear Mahmoud,

As your diagnostics shows, there are no files Optimization_SO.rsp, 
Optimization_SO.rspup, and Optimization_SO.rspdn in your directory.

These files are being done during initialisation by program lstart.
So, do "x lstart" with all the answers you have done during initialisation.

By the way, if, during optimization, you change description of atoms in the 
struct file (Rmt, R0, Npt - parameters of atom description) you should 
recalculate the rsp-files.

Best wishes
  Lyudmila Dobysheva 
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