Hello,
I am running the latest version of wien2k on a 32 bit linux virtual machine.
I am using the gfortran compiler version 4.7.2. When I run SCF on the TiC
example following the instruction in the manual, I receive the following error
in STDOUT:
STOP LAPW0 END
STOP LAPW1 END
STOP LAPW2
Hi,
I am using WIEN2k_14.2 (Release 15/10/2014). I am doing a calculation with
a half core-hole, offset by background charge, in order to model XPS.
The :NEC lines in case.scf and case.scfm show:
Al2O3_super.scf::NEC01: NUCLEAR AND ELECTRONIC CHARGE 299.5
299.49192
This is ok. What is printed is the sum of nuclear charges - background,
so that you can more easily compare this number with that of the
electronic charge (where there is a tiny core-leakage too).
On 03/23/2015 04:03 PM, David Olmsted wrote:
Hi,
I am using WIEN2k_14.2 (Release 15/10/2014).
You also need a cc compiler, gcc will do, it needs to be set during site_config.
On Mon, Mar 23, 2015 at 2:43 PM, farouk boutaiba boutaib...@yahoo.fr wrote:
Dear Members
I am trying to install Wien2k version 2010 in Intel based PC (intel i5), I
have install intel ifort compiler successfully.
Thanks sir for your help, but i have added gfortran in linux package before
compilation of wien2k and i have specified in site-config my compilator ifort
and gcc, i still have error after doing that.the error is:ifort: error #10236:
File not found: 'cputim.o'ifort: error #10236: File not
Look at the compile.msg file in SRC_lapw0 with a text editor. It will
probably contain additional error information on why your gcc failed to
compile the C source code into the object files (cputim.o and W2kutils.o).
Also, I suggest that you download and install the current WIEN2k
version.
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