[QE-users] Error in VCA with QE v6.6 (virtual_v2.x)

[Pietro Delugas]

Hi 

this should be a bug in version 6.6., fixed  in 6.7 
 https://github.com/QEF/q-e/releases/download/qe-6.7.0/qe-6.7-ReleasePack.tgz

regards 
Pietro 

Sent from Mail for Windows 10

From: Soumyadeep
Sent: Thursday, December 17, 2020 4:48 AM
To: Users
Subject: [QE-users] Error in VCA with QE v6.6 (virtual_v2.x)

Dear All,

    I am getting an error when performing VCA using virtual_v2.x for QE 
v6.6 (~qe-6.6/upflib/virtual_v2.x). The error message is,
    Fortran runtime error: Attempting to allocate already allocated 
variable 'upf_vca'

    But VCA works successfully when using virtual_v2.x for QE v6.5 
(~qe-6.5/upftools/virtual_v2.x). Both the output files are attached for 
your reference. Kindly suggest the solution.

with many thanks and best regards
Soumyadeep
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Soumyadeep Ghosh,
Senior Research Fellow,
Homi Bhabha National Institute (HBNI),
Raja Ramanna Centre for Advanced Technology, Indore, India-452013
Mob: (+91)9424664553
User Lab: 0731244-2580
Email: soumyadeepghosh35 at gmail.com, soumyadeep at rrcat.gov.in
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