[Wien] question about the Wien2k_14

2014-09-29 Thread bruce.tian
Dear all: I have two questions about the new version. 1.How to avoid EFG-MATRIX is a NULLMATRIX? For cubic cell it is said running runsp -s -so lapw1 before normal scf can avoid the problem. But for v14 it seems does not work. What is the problem? Is the message EFG-MATRIX is a NULLMATRIX

Re: [Wien] question about the Wien2k_14

2014-09-29 Thread Gavin Abo
I have two questions about the new version. 1.How to avoid EFG-MATRIX is a NULLMATRIX? For cubic cell it is said running runsp -s -so lapw1 before normal scf can avoid the problem. But for v14 it seems does not work. What is the problem? Is the message EFG-MATRIX is a NULLMATRIX important