dear users:
I am now learning atom program.When I test the psedopotential as the
manual instructs.TO my surprise, there is the lines out:
-------------------------------------------------------------
[t...@localhost Si]$ ls
README Si.test.inp Si.tm2 Si.tm2.inp Si.tm2.psf Si.tm2.vps
[t...@localhost Si]$ sh ../pt.sh Si.test.inp Si.tm2.vps
FORTRAN STOP
==> Output data in directory Si.test-Si.tm2
[t...@localhost Si]$
-----------------------------------------------------------------
In the manual,there is not the line 'FORTRAN STOP'.Does this suggest the
failure of my compiling atom program. Except for this ,all is right.
Additional to this ,can i use sh ../pt.sh Si.test.inp Si.tm2.psf to test?
If I do so,it comes the lines:
---------------------------------------------------------------
[t...@localhost Si]$ sh ../pt.sh Si.test.inp Si.tm2.psf
PGFIO-F-217/unformatted read/unit=1/attempt to read past end of file.
File name = VPSIN unformatted, sequential access record = 2
In source file vionic.f, at line number 83
==> Output data in directory Si.test-Si.tm2.psf
[t...@localhost Si]$
--------------------------------------------------------------
Can anyone tell me the reason?
THanks in advance!
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BEST REGARDS!
Guangping Zhang
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Atom and Melecular Physics
Physics and Electronics College
Shandong Normal University
Shandong,Jinan,China
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