*13.1*
if ( "$orb2" == "-orb" ) goto lcore1 <= Line 596
...
lcore1: <= Line 602
cp $file.in2_fsm $file.in2c <= Line 603
If we remove/comment 596, it looks like 602 and 603 will not be used,
should we comment/remove them?
*12.1*
cp $file.in2_fsm $file.in2c <= Line 580
On 12/1/2013 11:18 AM, Zhu, Jianxin wrote:
There is no such a line in the runfsm_lapw with version up to 12.1.
Which version are you referring to, 13.1?
Thanks,
Jianxin
On 12/1/13 2:00 AM, "t...@theochem.tuwien.ac.at"
<t...@theochem.tuwien.ac.at> wrote:
Related to your question, recently a severe bug in the
script runfsm_lapw was fixed:
The following line has to be removed or commented
if ( "$orb2" == "-orb" ) goto lcore1
F. Tran
On Sat, 30 Nov 2013, Alaska Subedi wrote:
Dear Prof. Blaha and others,
Is it possible to do fixed spin moment calculations for
antiferromagnetic order in Wien2k?
Thanks,
Alaska
]
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