[QE-users] Regarding GIPAW reconstruction of Ultrasoft PP's of Psilibrary
Soumyadeep
soumyadeep at rrcat.gov.in
Tue Apr 23 07:09:30 CEST 2019
Dear QE users,
I need gipaw Ultrasoft pseudo-potentials for Xspectra calculation. Is
there any step by step guide to generate those from Psilibrary USPP
table available at http://www.quantum-espresso.org/pseudopotentials ?
In each USPP .UPF file it is written that "Pseudopotential contains
additional information for GIPAW reconstruction", so I hope there must
be some well defined way to do that.
with best regards
Soumyadep
-------------------------------------------------------------------
Soumyadeep Ghosh,
Senior Research Fellow,
Indus Synchrotrons Utilization Division,
Raja Ramanna Centre for Advanced Technology, Indore, India-452013
Mob: (+91)9424664553
User Lab: 0731244-2580
Email: soumyadeepghosh35 at gmail.com, soumyadeep at rrcat.gov.in
-------------------------------------------------------------------
More information about the users
mailing list