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://www.democritos.it/pipermail/pw_forum/attachments/20111101/e52c05ca/attachment-0001.htm
