[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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