[SIESTA-L] compilation error!

2011-05-22 Por tôpico yuhailin_79
Dear all, I am meeting an error when I compile siesta-3.0-rc2. The procedur is following, 1. sh ../Src/obj_setup.sh 2. ../Src/configure 3. make transiesta The error message is: /data/users/stsygw/soft/siesta-3.0-rc2/Src/m_ts_aux_rout.F:347: undefined reference to `zgesv_' collect2:

Re:[SIESTA-L] magnetic calculations

2010-09-17 Por tôpico yuhailin_79
Dear Siesta users, Recently, I have calcualted the magnetic properteis of the half-metallic Heusler alloy Co2MnSi. But I find the result is wrong. I want to know which parameters are crucial for calcualte the magnetic properties. Anyone can tell me? Thanks in advance! Yu Hailin yuhailin...@

[SIESTA-L] how to get transiesta?

2010-05-11 Por tôpico yuhailin_79
Dear all, I am interesting to transiesta. But I don't know how to get it.Can you tell me? Thanks in advance.I am learning smeagol now and I want to know there is any difference between transiesta and smeagol? Yu Hailin yuhailin...@cslg.edu.cn 2010年05月11日 16:26:50