[Pw_forum] error in producing ultra soft pseudo potential.

pranay biswas pranayinform at gmail.com
Tue May 17 12:55:42 CEST 2016


dear quantum espresso users,
I'm new in this world.please help me
I'm trying to produce ultra soft pseudo potential for Titanium using QE
4.1.2.
given input is

 &input

title='Ti',

zed=22,

rel=0,

beta=0.5,

rlderiv=2.4,

eminld=-4.0,

emaxld=4.0,

deld=0.02d0,

nld=3,

config='[Ar] 3d2 4s2 ',
iswitch=3,

dft='PBE',

/

 &inputp

pseudotype=3,

lloc=0,

rcloc=2.90,

file_pseudopw='Ti.pbe.nrUS',

/

6

3D  3  2  1.00  0.00  2.00  2.60

3D  3  2  0.00  0.05  2.00  2.60

3D  3  2  1.00  0.00  2.00  2.60

3D  3  2  0.00 -0.00  2.00  2.60

4S  1  0  2.00  0.00  2.20  2.90

4S  1  0  0.00 -0.00  2.20  2.90


and when run the error appear as follow


     Program LD1       v.4.1.2  starts ...

     Today is 17May2016 at 15:38:57


%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     from ld1_readin : error #         1

     only one local channel

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%


     stopping ...


how can I recover this problem. anybody help ,thanks by advanced...
-- 
*Pranay Biswas*
*email- pranayinform at gmail.com <pranayinform at gmail.com>*
*mob- +918116780033*
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