[Wien] errors in lapw2 and tetra-up

Stefaan Cottenier Stefaan.Cottenier at fys.kuleuven.be
Mon Apr 10 15:12:16 CEST 2006


 

> */1) in lapw2:/*
> */'LAPW2' - can't open unit : 10/*
> */'LAPW2' - filename : /toto.vector/*
> */'LAPW2' - status : unknown  form: formatted/*
> */2) x tetra-up -c/*
> */PGFIO-F-217/formatted read/unit4/attempt to read past end of file./*
> */File name = toto1.qtlup formatted sequential access record=1/*
> */In source file tetra.f at line number 105/*
> *//*

You are probably mixing polarized and non-polarized calculations. If you 
want the DOS for spin up, do (assuming you need -c as appears partly 
from your example):

x lapw2 -up -c -qtl
x tetra -up -c

In your case, it seems you forgot the '-up' for lapw2 ?

Stefaan


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