[Pw_forum] (no subject)
F Anis
f.anis45 at yahoo.com
Tue Nov 1 18:48:54 CET 2011
subject:Conversion pseudopotential file with fhi or hgh format to upf format for using in quantum espresso package in suse 11 linux.
I am performing the following steps:
1.open terminal
2.run executable file such as fhi2upf.x
3.input file:
4.type name of input file such as 80.Hg.LDA.fhi
5.error:
read-fhi: assuming abinit format
at line 100 of file fhi2upf.f90(unit=1, file='80.Hg.LDA.fhi')
Fortran runtime error:Bad real number in item 1 of list input
please help me for error reason.
thanks
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20111101/e52c05ca/attachment.html>
More information about the users
mailing list