[wien]lapw0 error

Xin, Liu xliu at student.dlut.edu.cn
Sat Jan 14 11:06:45 CET 2006


Hi! Everyone!

I met a lapw0 error when I'm trying to study H2O molecule in a 10x11x12 cell with P1 symmetry. The dstart went smoothly, but when i try to start the SCF calculation, lapw0 fails and prints the following information:

PGFIO-F-231/formatted read/unit=8/error on data conversion.
 File name = H2O.clmsum    formatted, sequential access   record = 16830
 In source file lapw0.F, at line number 396

I consulted the lapw0.F, at line 396, 

    396            READ(29,1980)
    397            READ(29,2030)
    398            READ(30,1980)
    399            READ(30,2030)

it's reading file according to the format descirbed in 1980. 

1980 FORMAT(3X)

I am wondering how this problem can be solved, please give a hand.


Sincerely yours

xliu





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