[Wien] Reg: orbital magnetic moment

2011-07-29 Thread bobli rekharam
Dear User I am using WIEN2k and I got some error. I am trying to calculate the orbital magnetic moment and for that I am using the command to run the calculation with Spin orbit coupling like runsp_lapw -so -dm But after executing this command I am getting the error

[Wien] problem on electronic structure in slab

2011-07-29 Thread Aaron
://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110729/e4bbbdca/attachment.htm

[Wien] Reg: orbital magnetic moment

2011-07-29 Thread pieper
The problem is probably exactly what the error message says: you missed to generate a proper case.indmc. From your description I suspect that you did not do initso (use w2web for this and read the UG on the procedure) Best regards On Fri, 29 Jul 2011 13:05:36 +0530, bobli rekharam swetarekharam

[Wien] Reg: orbital magnetic moment

2011-07-29 Thread Md. Fhokrul Islam
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[Wien] commenting out the line ulimit -s unlimit from .bashrc?

2011-07-29 Thread Dr Qiwen YAO
Dear Wien2k users, I've come across an issue when running WIEN2k 11 in a cluster (PBS Pro, SUSE Linux Enterprise Server 10 (x86_64)) for the Stack size setting permission: It was the system policy that a user is not allowed to set the stack size in anyway. That is: ulimit -s whateveramount is

[Wien] commenting out the line ulimit -s unlimit from .bashrc?

2011-07-29 Thread Laurence Marks
Delete the line -- if he has already set it as unlimited. On Fri, Jul 29, 2011 at 5:19 AM, Dr Qiwen YAO Yao.Qiwen at nims.go.jp wrote: Dear Wien2k users, I've come across an issue when running WIEN2k 11 in a cluster (PBS Pro, SUSE Linux Enterprise Server 10 (x86_64)) for the Stack size

[Wien] commenting out the line ulimit -s unlimit from .bashrc?

2011-07-29 Thread Dr Qiwen YAO
Thank you very much for your guidance Professor Marks. Kind regards, Qiwen Yao --Original Message-- From:Laurence MarksL-marks at northwestern.edu To:A Mailing list for WIEN2k userswien at zeus.theochem.tuwien.ac.at Cc: Subject:Re: [Wien] commenting out the line ulimit -s unlimit from

[Wien] error setrlimit(): Invalid argument

2011-07-29 Thread Laurence Marks
, and to think what nobody else has thought Albert Szent-Gyorgi -- next part -- A non-text attachment was scrubbed... Name: W2kutils.c Type: text/x-csrc Size: 7780 bytes Desc: not available URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110729/3986d9d0/attachment.c

[Wien] error setrlimit(): Invalid argument

2011-07-29 Thread Laurence Marks
Yes, and anywhere else (mixer, perhaps some others ) -- do ls */W2kutils.c N.B., of course you only need to recompile the relevant directories. On Fri, Jul 29, 2011 at 12:51 PM, Dr Qiwen YAO Yao.Qiwen at nims.go.jp wrote: Dear Professor Marks, The file W2kutils.h you sent is identical to the