[Pw_forum] how to start a new task based on the optimized structure automatically?
sun jason
jasonsun98 at hotmail.com
Sat Aug 27 17:49:07 CEST 2005
Dear all,
we want to calculate phonon or other properties after optimizing one
structure sometimes. I'm a little lazy and want to write a scriptfile to
combine the pw.x(vc-relax)+pw.x(scf)+ph.x together, is it possible? and how
to write it?
==============================================
Jian Sun
Physics Dept. of Nanjing University
National Lab. of Solid State Microstructures
22 Hankou Road, Gulou District
Nanjing, Jiangsu Province
210093
China
==============================================
More information about the users
mailing list