[SIESTA-L] username-password

Dear Siesta Administrators, I register to SIESTA on october 2007. I got a username and password. Presently when I am using them I cannot enter in the SIESTA site. What can I do? Regards, A. Lebon

Re: [SIESTA-L] gen-basis usage error

Quoting Charles Chen [EMAIL PROTECTED]: Hi, All Siesta users, Can anyone help me on this? I have compiled the gen-basis under Src. Following the manual, I tried to generate the basis file under Ti/. Then the error comes out like this [0] MPI Abort by user Aborting program ! [0] Aborting

[SIESTA-L] Pseudo_for_C

Dear Siesta users, I am meeting some difficulty at creating a gga pseudo for C that include relativistic effects. In fact, I get an inconsistent behaviour in the log derivative for the channel l=0. The problem vanishes if I switch off the r flag. Here are some pieces of .inp files: 1.

[SIESTA-L] multiple-zeta

Dear Siesta Users, I got the following error message: siesta: == Begin CG move = 0 == outcoor: Atomic coordinates (Ang): -2.53300.0.

[SIESTA-L] extraction of .pdos with utility of pdos in version 2.0

Dear Siesta users, I noticed a problem in the output of siesta2.0.1 wrt to siesta1.3 concerning the .PDOS files With version 1.3 orbital index=6 atom_index=1 species=O position= 0.00 -0.000286 0.00 n=2 l=

Re: [SIESTA-L] Reading error in atom.f

On Wed, 3 Aug 2005 02:21:28 +0900, Min Seung Kyu [EMAIL PROTECTED] wrote: Dear SIESTA users, I generated a pseudopotential for S like following = #2345678901234567890123456789012345 pe S Pseudopotential tm2 S car 0.0 0.0 0.0 3