[Wien] problem with lapw2 and parallel vector files

2013-12-29 Thread Oliver Albertini
Dear All, I am running a k-point/mpi parallel calculation across different nodes where each node uses its own SCRATCH. After a successful convergence, I calculated the DOS (lapw2 -qtl -p), which required scp of the various vector files to the 'head' node. This makes sense to me since lapw2 -qtl

[Wien] problem with lapw2

2011-06-03 Thread 水牧 仁一朗
Dear WIEN2k users, I have this problem when I run w2web. I calculate the band of ferromagnetic material CaCu3Fe4O12 with the space group #204(Im-3). I show the error message as follows. error: command /home/mizumaki/wien2k/lapw2 uplapw2.def failed stop error Please can someone help me to