[Pw_forum] Any Norm-conserved PP database for Pwscf?

Sheleon Zhang sheleonzhang at gmail.com
Thu Apr 12 08:55:34 CEST 2012


Hello,
Recently,i am going to perform the photon calulations for some crystal,
but most of the pp for atoms are not nc formatted. at first, i want to
covert the abinit nc-pp to pwscf using phi2upf.x, but when it read the
second line of nc-pp file contains znatom, zion, pspdat,programme failed
with 'Fortran runtime error: Bad real number in item 1 of list input' or
'forrtl: severe (59): list-directed I/O syntax error, unit 1,'. i check
the code,but cant find anything wierd.Please guide me how to solve this
promblem.
Thanks in advanced



Best regards!

Sheleon



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