[Pw_forum] NaN in phonon

Ezad Shojaee ezadshojaee at hotmail.com
Mon Jan 8 18:23:57 CET 2007


hi
i tried to perform ph.x by a grid and at the 10th point, i have NaN in the 
15th mode, so is seems that the code is in a cycle and does not continue
what should i do according to the long time it has take for the 9 points 
before?!!
what's the problem?
is there anyway to force the code to continue and use the interatomic force 
constants of other points ?
thanx for any hint

_________________________________________________________________
Express yourself instantly with MSN Messenger! Download today it's FREE! 
http://messenger.msn.click-url.com/go/onm00200471ave/direct/01/




More information about the Pw_forum mailing list