[Wien] Syntax error at x kgen

[SWG]

Dear Prof Blaha and Wien users,

 

This time, I run into another error when trying to run x kgen:

 

Commandline: x kgen

Program input is: " 100 50 0 1 "

 

  NUMBER OF K-POINTS IN WHOLE CELL:

forrtl: severe (59): list-directed I/O syntax error, unit -4, file stdin

Image              PC        Routine            Line        Source


kgen               08099854  Unknown               Unknown  Unknown

kgen               0809934C  Unknown               Unknown  Unknown

kgen               08098903  Unknown               Unknown  Unknown

kgen               08073018  Unknown               Unknown  Unknown

kgen               08073520  Unknown               Unknown  Unknown

kgen               0805F5BB  Unknown               Unknown  Unknown

kgen               0805EE03  Unknown               Unknown  Unknown

kgen               0804AFDF  Unknown               Unknown  Unknown

kgen               0804A6B8  Unknown               Unknown  Unknown

Unknown            001FBE33  Unknown               Unknown  Unknown

kgen               0804A571  Unknown               Unknown  Unknown

0.002u 0.005s 0:00.10 0.0%    0+0k 0+0io 1pf+0w

 

All I was doing was to try to run  x kgen as adviced {below} on a backup
directory of a previously saved calculations! I had made sure to rename the
backup directory to the same case name as the files. However, it would not
allow me to change the  k mesh value and proceed to give me the error!
Again, I must have done something quite wrong even though I thought I was
taking sensible steps! Please advice!

 

In your case, all you should do is run    x kgen

and then continue with another scf cycle (after "save_lapw" !!!!)

In this way you use the previous scf density (clmsum) and will need only

few iteration (3 ?) to reach scf again.

If you rerun dstart, you "destroy" the scf density and scf-convergence

will take many iterations again.  USELESS !!!   

 

> I did not start at the beginning of initialization but proceeded straight
to

> "x kgen" and follow by "dstart". All was going well until I attempt to
save

> the case.outputd during phase 20:

 

 

 Many thanks again, in advanced! 

 

Yours sincerely,

Siew Wei Goh

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