[Wien] question about VZERO

2012-08-12 Thread Barbara Jones
: 408-927-2100 bajones at us.ibm.com From: Shruba Gangopadhyay To: wien at zeus.theochem.tuwien.ac.at List-Post: wien@zeus.theochem.tuwien.ac.at Date: 08/11/2012 01:23 PM Subject:Re: [Wien] question about VZERO Sent by:wien-bounces at zeus.theochem.tuwien.ac.at Thanks a l

[Wien] question about VZERO

2012-08-11 Thread Shruba Gangopadhyay
Thanks a lot Dr Blaha. Sincerely, Shruba On Fri, Aug 10, 2012 at 4:41 PM, Shruba Gangopadhyay wrote: > Dear Wien2k users, >I have a question regarding definition of > VZERO, what it meant by z=0.5. Is it the half way point of unit cell in the > Z direction, or it i

[Wien] question about VZERO

2012-08-11 Thread Peter Blaha
It is in z direction (both values are quoted, the ones at z=0 and z=0.5. Obvously, also the values in x and y direction are quoted (clearly indicated by the label). Am 11.08.2012 01:41, schrieb Shruba Gangopadhyay: > Dear Wien2k users, > I have a question regardin

[Wien] question about VZERO

2012-08-10 Thread Shruba Gangopadhyay
Dear Wien2k users, I have a question regarding definition of VZERO, what it meant by z=0.5. Is it the half way point of unit cell in the Z direction, or it is 0.5 to some other distances. We have a slab geometry and length of the vacuum and length of the unit cell are