[Wien] How to generate SuperLattice in wein2k

2020-07-22 Thread Rania Afif 
Dear users,


I want to do superlattice calculations in wien2k. Is it possible?
I am intending to calculate optical properties of superlattice of InAs/GaSb.

But I don't know  how to generate the structure file of superlattice?

Best regards,
___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html

[Wien] compilation and run problems for 19.1

2020-03-09 Thread Rania Afif 
Dear Prof Blaha,

I am running wien version 19.1 on linux mint19.

I start with TiC example.

after I runc SCF, the program give this error :

stop error

STOP LAPW2 - Error. Check file lapw2.error
STOP  LAPW1 END
STOP  LAPW0 END
hup: Command not found.

when I check lapw2.error :

'LAPW2' - can't open unit: 15

 'LAPW2' -filename: test5.tmp

 'LAPW2' -  status: scratch  form: unformatted



Sincerely yours,
___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html

[Wien] compilation and run problems for 19.1

2020-03-07 Thread Rania Afif 
Dear Prof Blaha,

I am running wien version 19.1 on linux mint19.

I start with TiC example.

after I runc SCF, the program give this error :

stop error

STOP LAPW2 - Error. Check file lapw2.error
STOP  LAPW1 END
STOP  LAPW0 END
hup: Command not found.

when I check lapw2.error :

'LAPW2' - can't open unit: 15

 'LAPW2' -filename: test5.tmp

 'LAPW2' -  status: scratch  form: unformatted



Sincerely yours,
___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html