In data 01 giugno 2009 alle ore 22:08:19, Bipul Rakshit <bipulrr at gmail.com> ha scritto: > So can I generate nice PP (ultra-soft) from the script ld1.x, so that > I can calculate the electronic and phonon properties?
It is a bit more than a script, and yes it can generate norm-conserving, ultrasoft and PAW datasets. Please see the documentation in atomic_doc/ directory, and the examples in various subdirectories you'll find there. > 2. There is another programme named uspp-xxx which i got from the > pwscf site only. Is that script is same as the above one, or better > one? Probably it's some very old version. > regards regards -- Lorenzo Paulatto SISSA & DEMOCRITOS (Trieste) phone: +39 040 3787 511 skype: paulatz www: http://people.sissa.it/~paulatto/ *** save italian brains *** http://saveitalianbrains.wordpress.com/
