[SIESTA-L] NetCharge

2005-06-14 Thread Ivetta Slipukhina
Dear SIESTA users, could anybody give me an answer on my question (if anybody had had any experience before): is it possible to obtain converged result conductiong structural relaxations for the charged systems (NetCharge not eq. to 0) with non-cubic symmetry, using the SIESTA code? Thank

[SIESTA-L] Pseudo

2005-06-14 Thread navaratnarajah kuganathan
Dear All, I would appreciate ,if you send pseudo input for Hg and Te . Sincerely Kugan - Discover Yahoo! Stay in touch with email, IM, photo sharing more. Check it out!

Re: [SIESTA-L] Problem about compilering siesta

2005-06-14 Thread Eduardo Anglada
Dear Sir, There is a l_fce_pc_8.1* compiler. You can obtain a copy from your premier account at intel.com Regards, Eduardo On Wed, 2005-06-15 at 10:07 +0800, Mingsu Si wrote: Dear Sir, There is no l_fce_pc_8.1* compiler. In the web of Intel they say l_fc_pc_8.1* support em64t CPU.

Re: [SIESTA-L] Problem about compilering siesta

2005-06-14 Thread Mingsu Si
Dear Sir, There is no l_fce_pc_8.1* compiler. In the web of Intel they say l_fc_pc_8.1* support em64t CPU. Where do I obtain the l_fce_pc_8.1* compiler? Regards Mingsu Si Dear Sir, Your compiler does not support em64t. You need l_fce_pc_8.1* (notice the e after fc!) Regards, Eduardo