[Pw_forum] Pw_forum Digest, Vol 53, Issue 1
bahaareh tavakoli nejad
bahaartv at gmail.com
Tue Nov 1 18:37:59 CET 2011
subject:Conversion pseudopotential file with fhi or hgh format to upf
format for using in quantum espresso package in suse 11 linux.
Hi.
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
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