[Wien] Error in LAPW1

Farshad Nejadsattari fneja083 at uottawa.ca
Thu Nov 21 17:54:43 CET 2013


Dear Wien2k developers and users,

  I am running the SCF cycle for TiC in the user's guide after the
initialization is done when I try to run SCF cycle there is no error in
LAPW0 but in LAPW1 I receive this error:

Error in LAPW1
 'INILPW' - can't open unit:
10
 'INILPW' -        filename:
/lapw.vector
 'INILPW' -          status: unknown      form:
unformatted
 'LAPW1' - INILPW aborted unsuccessfully.


and also what do you suggest to substitute for the values of for TiC

FSM
no HNS
in1new
q-limit
It-number
Your assistance is truly appreciated.

Farshad Nejadsattari
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