-8562 ? 1-1-1
?
??
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The message complains about R0 for the third atom.
WARNING: R0 for atom -3 Z= 33.00 too big.
Thus you don't need to change RMTs, but change R0. (I admit, the additional
tip about lower RMT or increase core-separation is misleading).
I do NOT understand how you created your case.struct file ?
/20110513/64270bc7/attachment.htm
first:i have this _make: *** No rule to make target `clean'. Stop.
make: *** No targets. Stop _in compil.msg in the folder SCR_w2web
This is ok. No error.
sufyan2020 at sufyan:~/WIEN2k/SRC_w2web/bin$ ./w2web
w2web failed to bind port 7890 - port already in use!
You
Out of curiosity, I wonder how many people have used MSR1a yet, and
how well it works.
--
Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2220 N Campus Drive
Northwestern University
Evanston, IL 60208, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email:
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Dear sir
I am working on C32N8H16 with WIEN2K IN LINUX.
1- I upload the scf
2-make the structgen
3- Run scf with kpt=60
4- because of gmingmax I changed 7 to 5 in the first check.. In
initialization
5- After the run when I wanted to run dos at the first
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