As the error indicates, there is a problem with the contents of the
c-mini.in0 file. Without seeing what is in c-mini.in0, it is hard to
know what is wrong.
The case.in0 format has changed between 13.1 and 14.2. The functionals
used to be specified with a number like "13" for PBE, but now they are
specify with a string like "XC_PBE". So maybe the problem is due to the
format changed. For details on the new format of case.in0, see section
"7.1.3 Input" on page 106 of the WIEN2k 14.2 usersguide [
http://www.wien2k.at/reg_user/textbooks/usersguide.pdf ].
On 6/2/2015 10:39 AM, B Tankhilsaihan wrote:
Hello Abo
Thank you for your help
I updated software now i am running on Wien2k_14.2
when i run mini_position do i need to restore previous SCF calculation
or It does new SCF itself ?
Is there something to do with previous SCF calculation in the
mini_position?
I assuming "not" and created new session but i got error when I do
initialization.
The error occurs in "x dstart" as following
forrtl: severe (24): end-of-file during read, unit 14, file
/home/wgfkp/WIEN2k/c-mini/c-mini.in0
Image PC Routine Line Source
dstart 0000000000455C26 Unknown Unknown Unknown
dstart 00000000004108D6 make_inter_ 35 make_inter.F
dstart 000000000040D988 MAIN__ 21 dstart.F
dstart 0000000000402ED6 Unknown Unknown Unknown
libc.so.6 00002B61153F1A40 Unknown Unknown Unknown
dstart 0000000000402DC9 Unknown Unknown Unknown
3.4u 0.1s 0:03.55 99.7% 0+0k 0+13120io 0pf+0w
error: command /home/wgfkp/wien2k/dstart dstart.def failed
Inputs are same as previous calculation which is done without error.
Regards
Batsaikhan.T
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