Hi Pwscf User, when reading the input parameter,I am not very clear, here as follows, can you give me some explaination: nraise: how do we define a nraise step?
for ion_temperature=andersen: the collision frequency parameter is given as nu=1/tau defined above, so nu*dt=1/nraise:here what is nu, tau? thank you so much, -- Yours Regards, chenjie GU EEE,Nanyang Technoligical University -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100604/87036462/attachment-0001.htm
